data_nef_c25712_2n5f 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 2N5F 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 1 MET start . . 2 A 2 ALA middle . . 3 A 3 LEU middle . . 4 A 4 GLU middle . . 5 A 5 ILE middle . . 6 A 6 CYS middle . . 7 A 7 VAL middle . . 8 A 8 LYS middle . . 9 A 9 ALA middle . . 10 A 10 ALA middle . . 11 A 11 VAL middle . . 12 A 12 GLY middle . false 13 A 13 ALA middle . . 14 A 14 PRO middle . false 15 A 15 ASN middle . . 16 A 16 ILE middle . . 17 A 17 LEU middle . . 18 A 18 GLY middle . false 19 A 19 ASP middle . . 20 A 20 CYS middle . . 21 A 21 PRO middle . false 22 A 22 PHE middle . . 23 A 23 CYS middle . . 24 A 24 GLN middle . . 25 A 25 ARG middle . . 26 A 26 VAL middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 GLU middle . . 32 A 32 GLU middle . . 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 ILE middle . . 36 A 36 PRO middle . false 37 A 37 TYR middle . . 38 A 38 LYS middle . . 39 A 39 SER middle . . 40 A 40 HIS middle . . 41 A 41 LEU middle . . 42 A 42 ILE middle . . 43 A 43 ASN middle . . 44 A 44 LEU middle . . 45 A 45 GLY middle . false 46 A 46 ASP middle . . 47 A 47 LYS middle . . 48 A 48 PRO middle . false 49 A 49 GLN middle . . 50 A 50 TRP middle . . 51 A 51 PHE middle . . 52 A 52 LEU middle . . 53 A 53 GLU middle . . 54 A 54 ILE middle . . 55 A 55 SER middle . . 56 A 56 PRO middle . false 57 A 57 GLU middle . . 58 A 58 GLY middle . false 59 A 59 LYS middle . . 60 A 60 VAL middle . . 61 A 61 PRO middle . false 62 A 62 VAL middle . . 63 A 63 VAL middle . . 64 A 64 LYS middle . . 65 A 65 ILE middle . . 66 A 66 ASP middle . . 67 A 67 ASP middle . . 68 A 68 LYS middle . . 69 A 69 TRP middle . . 70 A 70 VAL middle . . 71 A 71 ALA middle . . 72 A 72 ASP middle . . 73 A 73 SER middle . . 74 A 74 ASP middle . . 75 A 75 VAL middle . . 76 A 76 ILE middle . . 77 A 77 VAL middle . . 78 A 78 GLY middle . false 79 A 79 ILE middle . . 80 A 80 LEU middle . . 81 A 81 GLU middle . . 82 A 82 GLU middle . . 83 A 83 LYS middle . . 84 A 84 ASN middle . . 85 A 85 PRO middle . false 86 A 86 GLU middle . . 87 A 87 PRO middle . false 88 A 88 PRO middle . false 89 A 89 LEU middle . . 90 A 90 ALA middle . . 91 A 91 THR middle . . 92 A 92 PRO middle . false 93 A 93 PRO middle . false 94 A 94 GLU middle . . 95 A 95 PHE middle . . 96 A 96 ALA middle . . 97 A 97 SER middle . . 98 A 98 VAL middle . . 99 A 99 GLY middle . false 100 A 100 SER middle . . 101 A 101 LYS middle . . 102 A 102 ILE middle . . 103 A 103 PHE middle . . 104 A 104 PRO middle . false 105 A 105 SER middle . . 106 A 106 PHE middle . . 107 A 107 VAL middle . . 108 A 108 LYS middle . . 109 A 109 PHE middle . . 110 A 110 LEU middle . . 111 A 111 LYS middle . . 112 A 112 SER middle . . 113 A 113 LYS middle . . 114 A 114 ASP middle . . 115 A 115 PRO middle . false 116 A 116 ASN middle . . 117 A 117 ASP middle . . 118 A 118 GLY middle . false 119 A 119 THR middle . . 120 A 120 GLU middle . . 121 A 121 GLN middle . . 122 A 122 ALA middle . . 123 A 123 LEU middle . . 124 A 124 LEU middle . . 125 A 125 GLU middle . . 126 A 126 GLU middle . . 127 A 127 LEU middle . . 128 A 128 LYS middle . . 129 A 129 ALA middle . . 130 A 130 LEU middle . . 131 A 131 ASP middle . . 132 A 132 GLY middle . false 133 A 133 HIS middle . . 134 A 134 LEU middle . . 135 A 135 LYS middle . . 136 A 136 VAL middle . . 137 A 137 HIS middle . . 138 A 138 GLY middle . false 139 A 139 PRO middle . false 140 A 140 PHE middle . . 141 A 141 ILE middle . . 142 A 142 ALA middle . . 143 A 143 GLY middle . false 144 A 144 GLU middle . . 145 A 145 LYS middle . . 146 A 146 ILE middle . . 147 A 147 THR middle . . 148 A 148 ALA middle . . 149 A 149 VAL middle . . 150 A 150 ASP middle . . 151 A 151 LEU middle . . 152 A 152 SER middle . . 153 A 153 LEU middle . . 154 A 154 ALA middle . . 155 A 155 PRO middle . false 156 A 156 LYS middle . . 157 A 157 LEU middle . . 158 A 158 TYR middle . . 159 A 159 HIS middle . . 160 A 160 LEU middle . . 161 A 161 GLU middle . . 162 A 162 VAL middle . . 163 A 163 ALA middle . . 164 A 164 LEU middle . . 165 A 165 GLY middle . false 166 A 166 HIS middle . . 167 A 167 PHE middle . . 168 A 168 LYS middle . . 169 A 169 ASN middle . . 170 A 170 TRP middle . . 171 A 171 PRO middle . false 172 A 172 ILE middle . . 173 A 173 PRO middle . false 174 A 174 ASP middle . . 175 A 175 ASN middle . . 176 A 176 LEU middle . . 177 A 177 THR middle . . 178 A 178 HIS middle . . 179 A 179 VAL middle . . 180 A 180 LEU middle . . 181 A 181 ASN middle . . 182 A 182 TYR middle . . 183 A 183 ILE middle . . 184 A 184 LYS middle . . 185 A 185 LEU middle . . 186 A 186 LEU middle . . 187 A 187 PHE middle . . 188 A 188 SER middle . . 189 A 189 ARG middle . . 190 A 190 GLU middle . . 191 A 191 SER middle . . 192 A 192 PHE middle . . 193 A 193 LYS middle . . 194 A 194 LYS middle . . 195 A 195 THR middle . . 196 A 196 ARG middle . . 197 A 197 ALA middle . . 198 A 198 ALA middle . . 199 A 199 GLU middle . . 200 A 200 GLU middle . . 201 A 201 HIS middle . . 202 A 202 VAL middle . . 203 A 203 ILE middle . . 204 A 204 ALA middle . . 205 A 205 GLY middle . false 206 A 206 TRP middle . . 207 A 207 GLU middle . . 208 A 208 PRO middle . false 209 A 209 LYS middle . . 210 A 210 VAL middle . . 211 A 211 ASN middle . . 212 A 212 ALA middle . . 213 A 213 HIS middle . . 214 A 214 HIS middle . . 215 A 215 HIS middle . . 216 A 216 HIS middle . . 217 A 217 HIS middle . . 218 A 218 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.701 0.003 A 2 ALA HA H 1 3.848 0.024 A 2 ALA C C 13 173.222 0.007 A 2 ALA CA C 13 51.367 0.044 A 2 ALA CB C 13 17.444 0.000 A 3 LEU H H 1 8.213 0.019 A 3 LEU HA H 1 4.444 0.018 A 3 LEU HBy H 1 1.596 0.018 A 3 LEU HBx H 1 1.206 0.018 A 3 LEU HD1% H 1 1.210 0.002 A 3 LEU HG H 1 0.951 0.019 A 3 LEU C C 13 175.857 0.007 A 3 LEU CA C 13 55.803 0.076 A 3 LEU CB C 13 42.463 0.000 A 3 LEU N N 15 122.319 0.086 A 4 GLU H H 1 7.559 0.015 A 4 GLU HA H 1 5.388 0.016 A 4 GLU HBx H 1 1.864 0.018 A 4 GLU HBy H 1 2.175 0.000 A 4 GLU HG2 H 1 2.332 0.005 A 4 GLU C C 13 174.434 0.010 A 4 GLU CA C 13 54.926 0.060 A 4 GLU CB C 13 33.875 0.000 A 4 GLU N N 15 122.191 0.079 A 5 ILE H H 1 8.926 0.024 A 5 ILE HA H 1 5.698 0.015 A 5 ILE HB H 1 2.163 0.018 A 5 ILE HG2% H 1 0.753 0.023 A 5 ILE C C 13 173.632 0.001 A 5 ILE CA C 13 57.956 0.039 A 5 ILE CB C 13 42.474 0.000 A 5 ILE N N 15 118.743 0.071 A 6 CYS H H 1 9.212 0.020 A 6 CYS HA H 1 5.635 0.010 A 6 CYS C C 13 174.149 0.002 A 6 CYS CA C 13 57.738 0.049 A 6 CYS CB C 13 29.415 0.000 A 6 CYS N N 15 124.294 0.077 A 7 VAL H H 1 8.603 0.024 A 7 VAL HA H 1 5.021 0.011 A 7 VAL HB H 1 2.375 0.012 A 7 VAL HGx% H 1 1.027 0.020 A 7 VAL HGy% H 1 0.515 0.025 A 7 VAL C C 13 172.892 0.032 A 7 VAL CA C 13 58.150 0.028 A 7 VAL CB C 13 35.177 0.000 A 7 VAL N N 15 112.896 0.111 A 8 LYS H H 1 7.056 0.026 A 8 LYS HA H 1 4.180 0.012 A 8 LYS HB2 H 1 2.072 0.014 A 8 LYS C C 13 176.317 0.038 A 8 LYS CA C 13 57.123 0.018 A 8 LYS CB C 13 33.884 0.000 A 8 LYS N N 15 122.147 0.065 A 9 ALA H H 1 8.522 0.017 A 9 ALA HA H 1 4.375 0.009 A 9 ALA HB% H 1 1.145 0.020 A 9 ALA C C 13 176.185 0.004 A 9 ALA CA C 13 50.563 0.015 A 9 ALA CB C 13 19.909 0.000 A 9 ALA N N 15 131.173 0.061 A 10 ALA H H 1 8.300 0.015 A 10 ALA HA H 1 3.816 0.015 A 10 ALA HB% H 1 1.680 0.026 A 10 ALA C C 13 175.228 0.001 A 10 ALA CA C 13 52.434 0.048 A 10 ALA CB C 13 16.315 0.000 A 10 ALA N N 15 123.972 0.058 A 11 VAL H H 1 8.891 0.021 A 11 VAL HA H 1 4.015 0.021 A 11 VAL HB H 1 2.686 0.022 A 11 VAL HGx% H 1 0.623 0.019 A 11 VAL HGy% H 1 0.701 0.025 A 11 VAL C C 13 176.595 0.000 A 11 VAL CA C 13 65.137 0.097 A 11 VAL CB C 13 30.902 0.000 A 11 VAL N N 15 126.998 0.126 A 12 GLY H H 1 8.724 0.010 A 12 GLY HAy H 1 4.055 0.008 A 12 GLY HAx H 1 3.564 0.018 A 12 GLY C C 13 173.856 0.000 A 12 GLY CA C 13 44.932 0.006 A 12 GLY N N 15 115.319 0.038 A 13 ALA H H 1 7.484 0.014 A 13 ALA HA H 1 4.606 0.006 A 13 ALA HB% H 1 0.885 0.007 A 13 ALA CA C 13 50.275 0.000 A 13 ALA N N 15 122.777 0.026 A 14 PRO HA H 1 4.210 0.010 A 14 PRO HBy H 1 2.184 0.024 A 14 PRO HBx H 1 1.809 0.022 A 14 PRO HDx H 1 3.330 0.034 A 14 PRO HDy H 1 3.481 0.005 A 14 PRO HG2 H 1 1.798 0.019 A 14 PRO C C 13 175.142 0.000 A 14 PRO CA C 13 64.241 0.069 A 14 PRO CB C 13 32.002 0.000 A 15 ASN H H 1 8.118 0.014 A 15 ASN HA H 1 4.669 0.038 A 15 ASN HBy H 1 2.697 0.008 A 15 ASN HBx H 1 2.586 0.000 A 15 ASN HD21 H 1 6.726 0.025 A 15 ASN HD22 H 1 7.566 0.055 A 15 ASN C C 13 173.734 0.000 A 15 ASN CA C 13 52.463 0.038 A 15 ASN CB C 13 38.029 0.000 A 15 ASN N N 15 113.015 0.042 A 15 ASN ND2 N 15 113.572 0.202 A 16 ILE H H 1 8.103 0.014 A 16 ILE HA H 1 4.120 0.009 A 16 ILE HB H 1 1.638 0.019 A 16 ILE HD1% H 1 0.609 0.028 A 16 ILE HG12 H 1 0.902 0.017 A 16 ILE C C 13 173.791 0.000 A 16 ILE CA C 13 59.097 0.032 A 16 ILE CB C 13 39.026 0.000 A 16 ILE N N 15 123.096 0.034 A 17 LEU H H 1 8.164 0.013 A 17 LEU HA H 1 3.671 0.015 A 17 LEU HB2 H 1 1.877 0.030 A 17 LEU C C 13 174.960 0.000 A 17 LEU CA C 13 57.165 0.116 A 17 LEU CB C 13 42.017 0.000 A 17 LEU N N 15 127.361 0.029 A 18 GLY H H 1 7.777 0.021 A 18 GLY C C 13 171.844 0.000 A 18 GLY CA C 13 44.740 0.010 A 18 GLY N N 15 111.499 0.047 A 19 ASP H H 1 8.337 0.020 A 19 ASP HA H 1 4.434 0.024 A 19 ASP HB2 H 1 2.847 0.018 A 19 ASP C C 13 175.221 0.000 A 19 ASP CA C 13 53.177 0.072 A 19 ASP CB C 13 43.313 0.000 A 19 ASP N N 15 111.392 0.074 A 20 CYS H H 1 7.851 0.017 A 20 CYS HA H 1 4.515 0.026 A 20 CYS CA C 13 58.197 0.000 A 20 CYS N N 15 125.162 0.033 A 21 PRO HA H 1 4.025 0.019 A 21 PRO HBx H 1 1.657 0.024 A 21 PRO HBy H 1 1.770 0.026 A 21 PRO C C 13 178.610 0.000 A 21 PRO CA C 13 64.429 0.055 A 21 PRO CB C 13 31.806 0.000 A 22 PHE H H 1 9.171 0.024 A 22 PHE HA H 1 4.170 0.021 A 22 PHE HBy H 1 3.193 0.027 A 22 PHE HBx H 1 3.062 0.033 A 22 PHE HD1 H 1 7.280 0.006 A 22 PHE HD2 H 1 7.280 0.006 A 22 PHE HE1 H 1 7.806 0.021 A 22 PHE HE2 H 1 7.806 0.021 A 22 PHE C C 13 178.858 0.000 A 22 PHE CA C 13 61.118 0.034 A 22 PHE CB C 13 37.816 0.000 A 22 PHE N N 15 130.369 0.041 A 23 CYS H H 1 10.200 0.021 A 23 CYS HA H 1 5.487 0.000 A 23 CYS HBx H 1 2.995 0.000 A 23 CYS HBy H 1 3.449 0.011 A 23 CYS C C 13 177.495 0.000 A 23 CYS CA C 13 64.160 0.030 A 23 CYS CB C 13 29.302 0.000 A 23 CYS N N 15 126.329 0.054 A 24 GLN H H 1 8.490 0.018 A 24 GLN HA H 1 4.694 0.005 A 24 GLN HB2 H 1 2.311 0.020 A 24 GLN HE21 H 1 6.726 0.014 A 24 GLN HE22 H 1 7.604 0.025 A 24 GLN HGy H 1 2.855 0.024 A 24 GLN HGx H 1 2.664 0.008 A 24 GLN C C 13 180.149 0.000 A 24 GLN CA C 13 59.793 0.000 A 24 GLN N N 15 119.585 0.071 A 24 GLN NE2 N 15 112.899 0.180 A 25 ARG H H 1 7.476 0.021 A 25 ARG HA H 1 4.289 0.032 A 25 ARG HB2 H 1 1.915 0.025 A 25 ARG HDy H 1 3.519 0.025 A 25 ARG HDx H 1 3.265 0.022 A 25 ARG C C 13 176.331 0.000 A 25 ARG N N 15 118.568 0.120 A 26 VAL H H 1 7.165 0.026 A 26 VAL HA H 1 3.658 0.007 A 26 VAL HGx% H 1 1.163 0.020 A 26 VAL HGy% H 1 0.924 0.024 A 26 VAL C C 13 176.818 0.000 A 26 VAL N N 15 118.806 0.118 A 27 LEU H H 1 8.147 0.016 A 27 LEU HA H 1 3.688 0.023 A 27 LEU HBx H 1 1.386 0.031 A 27 LEU HBy H 1 1.518 0.024 A 27 LEU HD1% H 1 0.072 0.003 A 27 LEU HG H 1 0.566 0.006 A 27 LEU C C 13 178.651 0.000 A 27 LEU N N 15 119.846 0.128 A 28 LEU H H 1 9.178 0.011 A 28 LEU HA H 1 3.681 0.028 A 28 LEU HB2 H 1 2.069 0.023 A 28 LEU HD1% H 1 0.659 0.027 A 28 LEU C C 13 178.526 0.000 A 28 LEU N N 15 117.145 0.115 A 29 SER H H 1 7.258 0.016 A 29 SER HA H 1 3.757 0.016 A 29 SER HB2 H 1 3.190 0.024 A 29 SER C C 13 174.586 0.000 A 29 SER N N 15 114.735 0.024 A 30 LEU H H 1 7.821 0.017 A 30 LEU HA H 1 3.102 0.023 A 30 LEU HBx H 1 1.551 0.012 A 30 LEU HBy H 1 1.896 0.021 A 30 LEU HDx% H 1 1.411 0.023 A 30 LEU HDy% H 1 0.009 0.007 A 30 LEU HG H 1 1.332 0.013 A 30 LEU C C 13 179.040 0.000 A 30 LEU N N 15 120.722 0.185 A 31 GLU H H 1 8.321 0.014 A 31 GLU HA H 1 4.937 0.005 A 31 GLU HBx H 1 1.750 0.021 A 31 GLU HBy H 1 2.677 0.015 A 31 GLU HG2 H 1 2.936 0.018 A 31 GLU C C 13 181.549 0.000 A 31 GLU CA C 13 58.679 0.000 A 31 GLU CB C 13 29.437 0.000 A 31 GLU N N 15 115.934 0.194 A 32 GLU H H 1 8.709 0.017 A 32 GLU HA H 1 3.933 0.015 A 32 GLU HBy H 1 2.422 0.017 A 32 GLU HBx H 1 2.074 0.036 A 32 GLU C C 13 178.135 0.000 A 32 GLU CA C 13 58.963 0.057 A 32 GLU CB C 13 28.669 0.000 A 32 GLU N N 15 118.896 0.123 A 33 LYS H H 1 7.491 0.022 A 33 LYS HA H 1 4.072 0.017 A 33 LYS HB2 H 1 1.994 0.002 A 33 LYS HZ1 H 1 6.748 0.028 A 33 LYS HZ2 H 1 6.748 0.028 A 33 LYS HZ3 H 1 6.748 0.028 A 33 LYS C C 13 174.459 0.000 A 33 LYS CA C 13 56.231 0.004 A 33 LYS CB C 13 33.877 0.000 A 33 LYS N N 15 114.721 0.050 A 34 LYS H H 1 7.663 0.023 A 34 LYS HA H 1 3.776 0.008 A 34 LYS HBy H 1 2.011 0.011 A 34 LYS HBx H 1 1.255 0.000 A 34 LYS HG2 H 1 1.403 0.000 A 34 LYS C C 13 175.711 0.000 A 34 LYS CA C 13 56.894 0.102 A 34 LYS CB C 13 28.836 0.000 A 34 LYS N N 15 116.758 0.120 A 35 ILE H H 1 8.080 0.015 A 35 ILE HA H 1 4.304 0.010 A 35 ILE HB H 1 1.603 0.027 A 35 ILE HD1% H 1 0.651 0.014 A 35 ILE HG1y H 1 0.817 0.024 A 35 ILE HG1x H 1 0.524 0.009 A 35 ILE HG2% H 1 0.391 0.000 A 35 ILE CA C 13 58.622 0.000 A 35 ILE N N 15 122.098 0.067 A 36 PRO HA H 1 3.630 0.008 A 36 PRO HB2 H 1 2.153 0.011 A 36 PRO HD2 H 1 3.488 0.009 A 36 PRO C C 13 176.140 0.000 A 36 PRO CA C 13 62.719 0.053 A 36 PRO CB C 13 32.369 0.000 A 37 TYR H H 1 7.800 0.009 A 37 TYR HA H 1 5.330 0.006 A 37 TYR HBx H 1 2.449 0.004 A 37 TYR HBy H 1 2.697 0.005 A 37 TYR HD1 H 1 6.886 0.020 A 37 TYR HD2 H 1 6.886 0.020 A 37 TYR HE1 H 1 6.842 0.000 A 37 TYR HE2 H 1 6.842 0.000 A 37 TYR HH H 1 6.439 0.004 A 37 TYR C C 13 173.387 0.000 A 37 TYR CA C 13 55.470 0.039 A 37 TYR CB C 13 41.591 0.000 A 37 TYR N N 15 116.131 0.071 A 38 LYS H H 1 8.503 0.019 A 38 LYS HA H 1 4.431 0.013 A 38 LYS HB2 H 1 1.511 0.020 A 38 LYS HG2 H 1 1.042 0.021 A 38 LYS C C 13 174.738 0.000 A 38 LYS CA C 13 54.361 0.046 A 38 LYS CB C 13 34.923 0.000 A 38 LYS N N 15 121.946 0.063 A 39 SER H H 1 8.582 0.008 A 39 SER HA H 1 5.385 0.010 A 39 SER HB2 H 1 3.557 0.028 A 39 SER C C 13 173.918 0.000 A 39 SER CA C 13 56.397 0.032 A 39 SER N N 15 120.077 0.026 A 40 HIS H H 1 9.181 0.018 A 40 HIS HA H 1 4.869 0.017 A 40 HIS HB2 H 1 3.088 0.004 A 40 HIS C C 13 177.411 0.000 A 40 HIS CA C 13 54.135 0.064 A 40 HIS CB C 13 31.834 0.000 A 40 HIS N N 15 122.433 0.091 A 41 LEU H H 1 8.962 0.009 A 41 LEU HA H 1 4.212 0.032 A 41 LEU HBy H 1 1.405 0.027 A 41 LEU HBx H 1 1.299 0.016 A 41 LEU HD1% H 1 0.652 0.022 A 41 LEU C C 13 176.019 0.000 A 41 LEU CA C 13 54.091 0.086 A 41 LEU CB C 13 41.484 0.000 A 41 LEU N N 15 124.941 0.072 A 42 ILE H H 1 9.004 0.024 A 42 ILE HA H 1 3.872 0.018 A 42 ILE HB H 1 1.486 0.019 A 42 ILE HD1% H 1 0.733 0.000 A 42 ILE HG12 H 1 1.891 0.016 A 42 ILE C C 13 174.635 0.000 A 42 ILE CA C 13 57.216 0.024 A 42 ILE CB C 13 39.117 0.000 A 42 ILE N N 15 125.196 0.157 A 43 ASN H H 1 8.886 0.017 A 43 ASN HA H 1 4.656 0.011 A 43 ASN HBy H 1 2.999 0.007 A 43 ASN HBx H 1 2.501 0.017 A 43 ASN HD21 H 1 7.832 0.016 A 43 ASN HD22 H 1 6.821 0.010 A 43 ASN C C 13 176.253 0.000 A 43 ASN CA C 13 50.962 0.074 A 43 ASN CB C 13 36.858 0.000 A 43 ASN N N 15 127.683 0.103 A 43 ASN ND2 N 15 110.312 0.185 A 44 LEU H H 1 8.334 0.018 A 44 LEU HA H 1 3.699 0.013 A 44 LEU HBy H 1 1.667 0.019 A 44 LEU HBx H 1 0.830 0.028 A 44 LEU HD1% H 1 0.958 0.028 A 44 LEU C C 13 177.784 0.000 A 44 LEU CA C 13 56.673 0.050 A 44 LEU CB C 13 40.064 0.000 A 44 LEU N N 15 125.852 0.082 A 45 GLY H H 1 8.057 0.018 A 45 GLY HAx H 1 3.499 0.007 A 45 GLY HAy H 1 4.106 0.014 A 45 GLY C C 13 173.363 0.000 A 45 GLY CA C 13 45.032 0.027 A 45 GLY N N 15 105.251 0.051 A 46 ASP H H 1 7.352 0.019 A 46 ASP HA H 1 4.514 0.009 A 46 ASP HBy H 1 2.387 0.018 A 46 ASP HBx H 1 2.238 0.018 A 46 ASP C C 13 173.785 0.000 A 46 ASP CA C 13 52.786 0.054 A 46 ASP CB C 13 39.985 0.000 A 46 ASP N N 15 122.673 0.109 A 47 LYS H H 1 8.417 0.006 A 47 LYS HA H 1 3.955 0.009 A 47 LYS HBx H 1 1.070 0.009 A 47 LYS HBy H 1 1.320 0.016 A 47 LYS HE2 H 1 2.751 0.000 A 47 LYS HG2 H 1 1.613 0.029 A 47 LYS CA C 13 55.241 0.000 A 47 LYS N N 15 123.186 0.041 A 48 PRO HA H 1 4.450 0.013 A 48 PRO HB2 H 1 3.060 0.001 A 48 PRO C C 13 177.591 0.000 A 48 PRO CA C 13 61.590 0.027 A 48 PRO CB C 13 32.544 0.000 A 49 GLN H H 1 8.874 0.009 A 49 GLN HA H 1 3.692 0.009 A 49 GLN HBx H 1 1.985 0.007 A 49 GLN HBy H 1 2.072 0.021 A 49 GLN HE21 H 1 7.594 0.020 A 49 GLN HE22 H 1 6.726 0.016 A 49 GLN HG2 H 1 2.269 0.014 A 49 GLN C C 13 178.311 0.000 A 49 GLN CA C 13 59.294 0.051 A 49 GLN CB C 13 27.497 0.000 A 49 GLN N N 15 123.601 0.034 A 49 GLN NE2 N 15 112.046 0.286 A 50 TRP H H 1 7.970 0.007 A 50 TRP HA H 1 4.132 0.013 A 50 TRP HBx H 1 3.241 0.026 A 50 TRP HBy H 1 3.966 0.007 A 50 TRP HD1 H 1 7.458 0.021 A 50 TRP HE1 H 1 10.390 0.007 A 50 TRP HE3 H 1 7.606 0.030 A 50 TRP HH2 H 1 6.524 0.008 A 50 TRP HZ2 H 1 7.274 0.000 A 50 TRP HZ3 H 1 7.110 0.004 A 50 TRP CA C 13 58.508 0.031 A 50 TRP CB C 13 26.997 0.000 A 50 TRP N N 15 114.994 0.036 A 50 TRP NE1 N 15 130.586 0.025 A 51 PHE H H 1 5.898 0.015 A 51 PHE HA H 1 3.400 0.012 A 51 PHE HBy H 1 3.060 0.001 A 51 PHE HBx H 1 2.835 0.014 A 51 PHE HD1 H 1 6.386 0.013 A 51 PHE HD2 H 1 6.386 0.013 A 51 PHE C C 13 175.345 0.000 A 51 PHE CA C 13 59.355 0.028 A 51 PHE CB C 13 38.476 0.000 A 51 PHE N N 15 122.480 0.033 A 52 LEU H H 1 7.023 0.023 A 52 LEU HA H 1 3.506 0.012 A 52 LEU HBy H 1 1.517 0.010 A 52 LEU HBx H 1 1.180 0.021 A 52 LEU HD1% H 1 0.042 0.023 A 52 LEU C C 13 178.694 0.000 A 52 LEU CA C 13 55.953 0.049 A 52 LEU CB C 13 40.775 0.000 A 52 LEU N N 15 120.486 0.041 A 53 GLU H H 1 7.178 0.013 A 53 GLU HA H 1 3.744 0.008 A 53 GLU HBy H 1 1.825 0.017 A 53 GLU HBx H 1 1.678 0.014 A 53 GLU C C 13 177.190 0.000 A 53 GLU CA C 13 58.228 0.063 A 53 GLU CB C 13 29.441 0.000 A 53 GLU N N 15 115.068 0.082 A 54 ILE H H 1 6.613 0.022 A 54 ILE HA H 1 3.991 0.012 A 54 ILE HB H 1 0.930 0.008 A 54 ILE HD1% H 1 0.038 0.004 A 54 ILE HG1x H 1 0.613 0.023 A 54 ILE HG1y H 1 1.050 0.013 A 54 ILE HG2% H 1 1.177 0.014 A 54 ILE C C 13 176.523 0.000 A 54 ILE CA C 13 55.349 0.027 A 54 ILE CB C 13 41.426 0.000 A 54 ILE N N 15 115.822 0.061 A 55 SER H H 1 7.349 0.019 A 55 SER HA H 1 4.421 0.020 A 55 SER HB2 H 1 2.756 0.007 A 55 SER CA C 13 53.131 0.000 A 55 SER N N 15 113.054 0.071 A 56 PRO HA H 1 4.253 0.000 A 56 PRO C C 13 178.505 0.000 A 56 PRO CA C 13 64.897 0.077 A 56 PRO CB C 13 32.053 0.000 A 57 GLU H H 1 8.398 0.014 A 57 GLU HA H 1 4.143 0.010 A 57 GLU HBy H 1 1.751 0.019 A 57 GLU HBx H 1 1.446 0.014 A 57 GLU HG2 H 1 2.059 0.008 A 57 GLU C C 13 177.257 0.000 A 57 GLU CA C 13 56.067 0.006 A 57 GLU CB C 13 29.651 0.000 A 57 GLU N N 15 114.958 0.095 A 58 GLY H H 1 8.425 0.023 A 58 GLY HAx H 1 3.266 0.021 A 58 GLY HAy H 1 3.635 0.017 A 58 GLY C C 13 173.105 0.000 A 58 GLY CA C 13 46.463 0.033 A 58 GLY N N 15 109.464 0.081 A 59 LYS H H 1 6.747 0.021 A 59 LYS HA H 1 4.298 0.010 A 59 LYS HBx H 1 1.337 0.012 A 59 LYS HBy H 1 1.640 0.022 A 59 LYS HG2 H 1 1.144 0.003 A 59 LYS C C 13 175.997 0.000 A 59 LYS CA C 13 56.030 0.046 A 59 LYS CB C 13 34.302 0.000 A 59 LYS N N 15 117.040 0.086 A 60 VAL H H 1 7.883 0.012 A 60 VAL HA H 1 4.318 0.009 A 60 VAL HB H 1 3.332 0.000 A 60 VAL HGx% H 1 0.753 0.022 A 60 VAL HGy% H 1 0.580 0.025 A 60 VAL CA C 13 58.159 0.000 A 60 VAL N N 15 109.975 0.081 A 61 PRO HA H 1 5.202 0.009 A 61 PRO HBy H 1 2.585 0.013 A 61 PRO HBx H 1 2.470 0.019 A 61 PRO C C 13 175.919 0.000 A 61 PRO CA C 13 61.583 0.000 A 62 VAL H H 1 7.569 0.032 A 62 VAL HA H 1 3.963 0.014 A 62 VAL HB H 1 2.321 0.017 A 62 VAL HGx% H 1 0.320 0.034 A 62 VAL HGy% H 1 0.482 0.021 A 62 VAL C C 13 174.919 0.000 A 62 VAL CA C 13 60.500 0.095 A 62 VAL CB C 13 35.179 0.000 A 62 VAL N N 15 113.035 0.187 A 63 VAL H H 1 9.122 0.020 A 63 VAL HA H 1 5.307 0.008 A 63 VAL HB H 1 1.696 0.020 A 63 VAL HGx% H 1 0.850 0.029 A 63 VAL HGy% H 1 0.429 0.017 A 63 VAL C C 13 172.715 0.000 A 63 VAL CA C 13 59.545 0.031 A 63 VAL CB C 13 35.907 0.000 A 63 VAL N N 15 124.000 0.097 A 64 LYS H H 1 8.208 0.024 A 64 LYS HA H 1 4.067 0.016 A 64 LYS HB2 H 1 2.069 0.001 A 64 LYS HDx H 1 1.972 0.004 A 64 LYS HDy H 1 2.095 0.000 A 64 LYS HEx H 1 2.242 0.013 A 64 LYS HEy H 1 3.082 0.020 A 64 LYS C C 13 174.781 0.000 A 64 LYS CA C 13 54.922 0.083 A 64 LYS CB C 13 30.886 0.000 A 64 LYS N N 15 130.388 0.070 A 65 ILE H H 1 8.626 0.014 A 65 ILE HA H 1 4.019 0.011 A 65 ILE HB H 1 1.579 0.009 A 65 ILE HD1% H 1 0.520 0.024 A 65 ILE HG1x H 1 0.664 0.018 A 65 ILE HG1y H 1 1.033 0.008 A 65 ILE C C 13 174.635 0.000 A 65 ILE CA C 13 59.785 0.009 A 65 ILE CB C 13 35.970 0.000 A 65 ILE N N 15 128.922 0.036 A 66 ASP H H 1 8.866 0.011 A 66 ASP C C 13 174.467 0.000 A 66 ASP CA C 13 56.148 0.008 A 66 ASP CB C 13 38.893 0.000 A 66 ASP N N 15 127.369 0.272 A 67 ASP H H 1 8.434 0.015 A 67 ASP HA H 1 4.070 0.018 A 67 ASP HBx H 1 2.664 0.025 A 67 ASP HBy H 1 2.847 0.020 A 67 ASP C C 13 174.427 0.000 A 67 ASP CA C 13 55.156 0.043 A 67 ASP CB C 13 40.421 0.000 A 67 ASP N N 15 113.944 0.091 A 68 LYS H H 1 7.577 0.017 A 68 LYS HA H 1 4.572 0.006 A 68 LYS HBy H 1 1.611 0.024 A 68 LYS HBx H 1 1.320 0.010 A 68 LYS HD2 H 1 2.075 0.010 A 68 LYS HG2 H 1 1.461 0.000 A 68 LYS C C 13 174.040 0.000 A 68 LYS CA C 13 54.676 0.022 A 68 LYS CB C 13 35.489 0.000 A 68 LYS N N 15 119.956 0.034 A 69 TRP H H 1 8.687 0.015 A 69 TRP HA H 1 4.854 0.014 A 69 TRP HBx H 1 2.906 0.000 A 69 TRP HBy H 1 2.985 0.019 A 69 TRP HD1 H 1 7.232 0.008 A 69 TRP HE1 H 1 10.293 0.006 A 69 TRP HE3 H 1 7.112 0.004 A 69 TRP HH2 H 1 6.882 0.000 A 69 TRP HZ2 H 1 7.336 0.000 A 69 TRP HZ3 H 1 7.004 0.000 A 69 TRP C C 13 176.556 0.000 A 69 TRP CA C 13 56.882 0.051 A 69 TRP CB C 13 28.888 0.000 A 69 TRP N N 15 122.853 0.037 A 69 TRP NE1 N 15 130.226 0.024 A 70 VAL H H 1 9.547 0.016 A 70 VAL HA H 1 4.129 0.022 A 70 VAL HB H 1 1.862 0.017 A 70 VAL HGx% H 1 0.880 0.030 A 70 VAL HGy% H 1 1.473 0.026 A 70 VAL C C 13 173.745 0.000 A 70 VAL CA C 13 62.587 0.053 A 70 VAL CB C 13 34.259 0.000 A 70 VAL N N 15 127.990 0.059 A 71 ALA H H 1 8.255 0.019 A 71 ALA HA H 1 4.967 0.008 A 71 ALA HB% H 1 1.328 0.023 A 71 ALA C C 13 176.223 0.000 A 71 ALA CA C 13 50.761 0.019 A 71 ALA CB C 13 21.705 0.000 A 71 ALA N N 15 129.558 0.027 A 72 ASP H H 1 7.976 0.009 A 72 ASP HA H 1 4.074 0.011 A 72 ASP HB2 H 1 3.684 0.007 A 72 ASP C C 13 177.047 0.000 A 72 ASP CA C 13 56.238 0.019 A 72 ASP CB C 13 40.919 0.000 A 72 ASP N N 15 111.587 0.087 A 73 SER H H 1 9.236 0.008 A 73 SER HA H 1 4.703 0.018 A 73 SER HBy H 1 4.557 0.000 A 73 SER HBx H 1 3.812 0.012 A 73 SER C C 13 174.737 0.000 A 73 SER CA C 13 63.512 0.059 A 73 SER CB C 13 29.925 0.000 A 73 SER N N 15 121.884 0.080 A 74 ASP H H 1 8.115 0.027 A 74 ASP HA H 1 4.228 0.010 A 74 ASP HBy H 1 2.756 0.011 A 74 ASP HBx H 1 2.491 0.024 A 74 ASP C C 13 178.633 0.000 A 74 ASP CA C 13 57.903 0.026 A 74 ASP CB C 13 40.768 0.000 A 74 ASP N N 15 120.812 0.143 A 75 VAL H H 1 7.368 0.023 A 75 VAL HA H 1 3.542 0.020 A 75 VAL HB H 1 1.845 0.008 A 75 VAL HGx% H 1 0.780 0.009 A 75 VAL HGy% H 1 0.658 0.013 A 75 VAL C C 13 179.590 0.000 A 75 VAL CA C 13 65.454 0.050 A 75 VAL CB C 13 29.243 0.000 A 75 VAL N N 15 122.478 0.144 A 76 ILE H H 1 8.717 0.022 A 76 ILE HA H 1 3.090 0.000 A 76 ILE HB H 1 2.064 0.016 A 76 ILE C C 13 177.629 0.000 A 76 ILE CA C 13 65.986 0.075 A 76 ILE CB C 13 38.893 0.000 A 76 ILE N N 15 118.682 0.140 A 77 VAL H H 1 7.923 0.018 A 77 VAL HA H 1 3.644 0.009 A 77 VAL HB H 1 2.210 0.016 A 77 VAL HG1% H 1 1.080 0.033 A 77 VAL C C 13 178.463 0.000 A 77 VAL CA C 13 66.791 0.078 A 77 VAL CB C 13 30.486 0.000 A 77 VAL N N 15 112.358 0.073 A 78 GLY H H 1 7.373 0.021 A 78 GLY HAx H 1 3.884 0.017 A 78 GLY HAy H 1 4.020 0.000 A 78 GLY C C 13 176.557 0.000 A 78 GLY CA C 13 46.996 0.034 A 78 GLY N N 15 108.147 0.061 A 79 ILE H H 1 7.900 0.022 A 79 ILE HA H 1 3.789 0.014 A 79 ILE HB H 1 1.795 0.025 A 79 ILE HG1y H 1 0.666 0.004 A 79 ILE HG1x H 1 0.588 0.016 A 79 ILE C C 13 178.569 0.000 A 79 ILE CA C 13 64.946 0.055 A 79 ILE N N 15 124.258 0.100 A 80 LEU H H 1 8.332 0.015 A 80 LEU HA H 1 3.721 0.015 A 80 LEU C C 13 178.708 0.000 A 80 LEU CA C 13 57.887 0.052 A 80 LEU CB C 13 41.708 0.000 A 80 LEU N N 15 117.638 0.095 A 81 GLU H H 1 7.444 0.015 A 81 GLU HA H 1 3.630 0.021 A 81 GLU HB2 H 1 2.437 0.000 A 81 GLU C C 13 177.263 0.000 A 81 GLU CA C 13 58.441 0.000 A 81 GLU CB C 13 29.607 0.000 A 81 GLU N N 15 117.844 0.138 A 82 GLU H H 1 7.352 0.016 A 82 GLU HA H 1 3.860 0.018 A 82 GLU HB2 H 1 2.043 0.012 A 82 GLU HG2 H 1 2.299 0.024 A 82 GLU C C 13 178.850 0.000 A 82 GLU CA C 13 58.686 0.086 A 82 GLU CB C 13 29.866 0.000 A 82 GLU N N 15 117.032 0.020 A 83 LYS H H 1 8.178 0.014 A 83 LYS HA H 1 4.012 0.007 A 83 LYS HBx H 1 1.633 0.009 A 83 LYS HBy H 1 1.870 0.010 A 83 LYS HD2 H 1 1.697 0.005 A 83 LYS C C 13 176.701 0.000 A 83 LYS CA C 13 57.068 0.065 A 83 LYS CB C 13 33.157 0.000 A 83 LYS N N 15 115.040 0.055 A 84 ASN H H 1 7.568 0.031 A 84 ASN HA H 1 5.094 0.010 A 84 ASN HBy H 1 2.651 0.014 A 84 ASN HBx H 1 2.486 0.013 A 84 ASN HD21 H 1 7.744 0.071 A 84 ASN HD22 H 1 6.923 0.022 A 84 ASN CA C 13 50.993 0.000 A 84 ASN N N 15 115.812 0.073 A 84 ASN ND2 N 15 113.816 0.279 A 85 PRO HA H 1 4.522 0.000 A 88 PRO HA H 1 4.404 0.021 A 88 PRO HBx H 1 2.297 0.019 A 88 PRO HBy H 1 2.677 0.006 A 88 PRO C C 13 177.373 0.000 A 88 PRO CA C 13 63.203 0.077 A 88 PRO CB C 13 32.108 0.000 A 89 LEU H H 1 9.718 0.016 A 89 LEU HA H 1 4.527 0.007 A 89 LEU HBx H 1 1.741 0.006 A 89 LEU HBy H 1 2.138 0.004 A 89 LEU HDx% H 1 0.597 0.020 A 89 LEU HDy% H 1 0.719 0.002 A 89 LEU C C 13 175.965 0.000 A 89 LEU CA C 13 53.265 0.017 A 89 LEU CB C 13 44.294 0.000 A 89 LEU N N 15 122.635 0.079 A 90 ALA H H 1 7.170 0.021 A 90 ALA HA H 1 4.026 0.012 A 90 ALA HB% H 1 1.255 0.012 A 90 ALA C C 13 177.874 0.000 A 90 ALA CA C 13 53.715 0.035 A 90 ALA CB C 13 18.560 0.000 A 90 ALA N N 15 122.752 0.046 A 91 THR H H 1 8.714 0.010 A 91 THR HA H 1 4.369 0.009 A 91 THR HB H 1 3.757 0.008 A 91 THR HG2% H 1 0.981 0.016 A 91 THR CA C 13 61.192 0.000 A 91 THR N N 15 122.865 0.025 A 92 PRO HA H 1 5.148 0.000 A 92 PRO HB2 H 1 1.971 0.004 A 93 PRO HA H 1 4.065 0.002 A 93 PRO HB2 H 1 2.109 0.000 A 93 PRO HD2 H 1 3.704 0.000 A 93 PRO C C 13 178.504 0.000 A 93 PRO CA C 13 65.229 0.085 A 93 PRO CB C 13 31.823 0.000 A 94 GLU H H 1 9.612 0.019 A 94 GLU HA H 1 3.924 0.007 A 94 GLU HBy H 1 2.368 0.010 A 94 GLU HBx H 1 2.238 0.004 A 94 GLU HG2 H 1 1.841 0.008 A 94 GLU C C 13 177.340 0.000 A 94 GLU CA C 13 58.483 0.082 A 94 GLU CB C 13 27.860 0.000 A 94 GLU N N 15 117.719 0.035 A 95 PHE H H 1 7.890 0.018 A 95 PHE HA H 1 4.948 0.009 A 95 PHE HBy H 1 3.580 0.011 A 95 PHE HBx H 1 3.307 0.020 A 95 PHE C C 13 175.509 0.000 A 95 PHE CA C 13 54.683 0.060 A 95 PHE CB C 13 40.003 0.000 A 95 PHE N N 15 117.543 0.043 A 96 ALA H H 1 7.194 0.020 A 96 ALA HA H 1 3.799 0.020 A 96 ALA HB% H 1 1.391 0.020 A 96 ALA C C 13 178.386 0.000 A 96 ALA CA C 13 55.419 0.008 A 96 ALA CB C 13 18.822 0.000 A 96 ALA N N 15 119.931 0.055 A 97 SER H H 1 8.379 0.011 A 97 SER HA H 1 4.510 0.006 A 97 SER HBx H 1 3.808 0.014 A 97 SER HBy H 1 4.676 0.021 A 97 SER C C 13 175.082 0.000 A 97 SER CA C 13 57.679 0.069 A 97 SER CB C 13 63.729 0.000 A 97 SER N N 15 109.667 0.039 A 98 VAL H H 1 7.190 0.019 A 98 VAL HA H 1 3.441 0.011 A 98 VAL HB H 1 1.618 0.014 A 98 VAL HGx% H 1 0.522 0.011 A 98 VAL HGy% H 1 0.176 0.009 A 98 VAL C C 13 176.681 0.000 A 98 VAL CA C 13 64.899 0.125 A 98 VAL CB C 13 30.148 0.000 A 98 VAL N N 15 126.440 0.042 A 99 GLY H H 1 8.628 0.019 A 99 GLY HAx H 1 4.048 0.026 A 99 GLY HAy H 1 4.327 0.000 A 99 GLY C C 13 177.175 0.000 A 99 GLY CA C 13 45.430 0.072 A 99 GLY N N 15 113.063 0.080 A 100 SER H H 1 7.899 0.016 A 100 SER HA H 1 3.964 0.014 A 100 SER C C 13 176.123 0.000 A 100 SER CA C 13 61.835 0.025 A 100 SER CB C 13 63.268 0.000 A 100 SER N N 15 116.309 0.054 A 101 LYS H H 1 9.026 0.017 A 101 LYS HA H 1 4.489 0.006 A 101 LYS HBx H 1 1.868 0.019 A 101 LYS HBy H 1 2.191 0.006 A 101 LYS HD2 H 1 2.040 0.006 A 101 LYS HE2 H 1 2.867 0.000 A 101 LYS HG2 H 1 1.007 0.023 A 101 LYS C C 13 178.306 0.000 A 101 LYS CA C 13 55.992 0.031 A 101 LYS CB C 13 31.858 0.000 A 101 LYS N N 15 119.823 0.039 A 102 ILE H H 1 7.902 0.016 A 102 ILE HA H 1 4.196 0.027 A 102 ILE HB H 1 1.498 0.028 A 102 ILE HD1% H 1 0.774 0.030 A 102 ILE HG1y H 1 1.272 0.029 A 102 ILE HG1x H 1 0.743 0.023 A 102 ILE HG2% H 1 0.839 0.021 A 102 ILE C C 13 176.462 0.000 A 102 ILE CA C 13 66.851 0.061 A 102 ILE N N 15 123.208 0.067 A 103 PHE H H 1 9.664 0.006 A 103 PHE HBy H 1 3.297 0.005 A 103 PHE HBx H 1 2.760 0.029 A 103 PHE HD1 H 1 7.364 0.019 A 103 PHE HD2 H 1 7.364 0.019 A 103 PHE CA C 13 63.818 0.000 A 103 PHE N N 15 119.708 0.027 A 104 PRO HA H 1 3.815 0.008 A 104 PRO HBy H 1 2.524 0.023 A 104 PRO HBx H 1 1.577 0.023 A 104 PRO C C 13 179.640 0.000 A 104 PRO CA C 13 65.727 0.066 A 104 PRO CB C 13 30.011 0.000 A 105 SER H H 1 7.191 0.020 A 105 SER HA H 1 4.097 0.016 A 105 SER HBx H 1 3.391 0.007 A 105 SER HBy H 1 3.563 0.011 A 105 SER C C 13 176.990 0.000 A 105 SER CA C 13 62.385 0.098 A 105 SER N N 15 113.094 0.092 A 106 PHE H H 1 8.767 0.014 A 106 PHE HA H 1 4.336 0.014 A 106 PHE HBx H 1 2.675 0.030 A 106 PHE HBy H 1 3.138 0.016 A 106 PHE HD1 H 1 6.947 0.029 A 106 PHE HD2 H 1 6.947 0.029 A 106 PHE HE1 H 1 6.812 0.023 A 106 PHE HE2 H 1 6.812 0.023 A 106 PHE C C 13 174.640 0.000 A 106 PHE CA C 13 59.637 0.037 A 106 PHE CB C 13 36.845 0.000 A 106 PHE N N 15 128.207 0.031 A 107 VAL H H 1 7.656 0.019 A 107 VAL HA H 1 1.926 0.020 A 107 VAL HB H 1 2.281 0.000 A 107 VAL HGx% H 1 0.327 0.012 A 107 VAL HGy% H 1 0.182 0.007 A 107 VAL C C 13 177.013 0.000 A 107 VAL CA C 13 66.785 0.037 A 107 VAL CB C 13 31.227 0.000 A 107 VAL N N 15 122.668 0.068 A 108 LYS H H 1 7.124 0.020 A 108 LYS HA H 1 3.670 0.015 A 108 LYS HBy H 1 1.661 0.015 A 108 LYS HBx H 1 1.532 0.008 A 108 LYS HG2 H 1 1.062 0.019 A 108 LYS C C 13 179.042 0.000 A 108 LYS CA C 13 59.396 0.076 A 108 LYS CB C 13 32.539 0.000 A 108 LYS N N 15 115.475 0.075 A 109 PHE H H 1 7.239 0.020 A 109 PHE HA H 1 4.685 0.020 A 109 PHE HB2 H 1 2.790 0.013 A 109 PHE HD1 H 1 6.163 0.011 A 109 PHE HD2 H 1 6.163 0.011 A 109 PHE C C 13 177.169 0.000 A 109 PHE CA C 13 57.809 0.045 A 109 PHE CB C 13 39.427 0.000 A 109 PHE N N 15 118.134 0.137 A 110 LEU H H 1 8.673 0.018 A 110 LEU HA H 1 2.948 0.015 A 110 LEU HB2 H 1 0.585 0.006 A 110 LEU HDx% H 1 0.503 0.014 A 110 LEU HDy% H 1 0.473 0.013 A 110 LEU HG H 1 0.747 0.028 A 110 LEU C C 13 176.756 0.000 A 110 LEU CA C 13 57.958 0.046 A 110 LEU CB C 13 40.379 0.000 A 110 LEU N N 15 121.378 0.142 A 111 LYS H H 1 7.099 0.016 A 111 LYS HA H 1 3.684 0.013 A 111 LYS HBx H 1 1.402 0.007 A 111 LYS HBy H 1 2.497 0.023 A 111 LYS C C 13 175.985 0.000 A 111 LYS CA C 13 57.117 0.038 A 111 LYS CB C 13 33.039 0.000 A 111 LYS N N 15 111.191 0.054 A 112 SER H H 1 6.943 0.023 A 112 SER HA H 1 4.018 0.010 A 112 SER HB2 H 1 4.187 0.023 A 112 SER C C 13 176.588 0.000 A 112 SER CA C 13 58.864 0.033 A 112 SER CB C 13 62.564 0.000 A 112 SER N N 15 114.765 0.088 A 113 LYS H H 1 8.918 0.016 A 113 LYS HA H 1 4.578 0.015 A 113 LYS HBx H 1 1.499 0.005 A 113 LYS HBy H 1 1.988 0.005 A 113 LYS HE2 H 1 3.093 0.000 A 113 LYS HG2 H 1 1.326 0.015 A 113 LYS C C 13 175.235 0.000 A 113 LYS CA C 13 54.420 0.005 A 113 LYS CB C 13 32.703 0.000 A 113 LYS N N 15 128.239 0.097 A 114 ASP H H 1 7.975 0.016 A 114 ASP HA H 1 5.075 0.010 A 114 ASP HBy H 1 2.932 0.009 A 114 ASP HBx H 1 2.372 0.013 A 114 ASP CA C 13 50.164 0.000 A 114 ASP N N 15 120.988 0.052 A 115 PRO HA H 1 4.462 0.020 A 115 PRO HB2 H 1 2.556 0.027 A 115 PRO C C 13 177.103 0.000 A 115 PRO CA C 13 63.487 0.033 A 115 PRO CB C 13 32.451 0.000 A 116 ASN H H 1 8.319 0.023 A 116 ASN HA H 1 4.930 0.008 A 116 ASN HBy H 1 2.675 0.013 A 116 ASN HBx H 1 1.736 0.016 A 116 ASN HD21 H 1 6.923 0.019 A 116 ASN HD22 H 1 7.773 0.008 A 116 ASN C C 13 175.666 0.000 A 116 ASN CA C 13 52.966 0.043 A 116 ASN CB C 13 39.101 0.000 A 116 ASN N N 15 115.697 0.094 A 116 ASN ND2 N 15 114.555 0.224 A 117 ASP H H 1 7.623 0.025 A 117 ASP HA H 1 4.291 0.011 A 117 ASP HBx H 1 2.805 0.015 A 117 ASP HBy H 1 3.100 0.003 A 117 ASP CA C 13 54.398 0.000 A 117 ASP N N 15 118.852 0.125 A 118 GLY H H 1 8.589 0.010 A 118 GLY HAx H 1 3.959 0.024 A 118 GLY HAy H 1 4.108 0.023 A 118 GLY C C 13 176.672 0.000 A 118 GLY CA C 13 45.699 0.104 A 118 GLY N N 15 108.732 0.031 A 119 THR H H 1 8.827 0.018 A 119 THR HA H 1 3.826 0.023 A 119 THR HB H 1 4.051 0.000 A 119 THR HG2% H 1 0.971 0.018 A 119 THR C C 13 179.237 0.000 A 119 THR CA C 13 65.725 0.025 A 119 THR CB C 13 69.060 0.000 A 119 THR N N 15 116.328 0.029 A 120 GLU H H 1 8.719 0.012 A 120 GLU HA H 1 2.222 0.019 A 120 GLU HBy H 1 1.860 0.027 A 120 GLU HBx H 1 1.248 0.026 A 120 GLU C C 13 177.416 0.000 A 120 GLU CA C 13 59.576 0.000 A 120 GLU N N 15 127.137 0.042 A 121 GLN H H 1 7.778 0.023 A 121 GLN HA H 1 4.233 0.025 A 121 GLN HBy H 1 2.501 0.011 A 121 GLN HBx H 1 2.062 0.010 A 121 GLN HE21 H 1 7.631 0.021 A 121 GLN HE22 H 1 6.889 0.022 A 121 GLN HG2 H 1 2.285 0.021 A 121 GLN C C 13 178.081 0.000 A 121 GLN CA C 13 59.728 0.030 A 121 GLN CB C 13 27.025 0.000 A 121 GLN N N 15 117.420 0.132 A 121 GLN NE2 N 15 113.065 0.229 A 122 ALA H H 1 7.773 0.020 A 122 ALA HA H 1 4.063 0.014 A 122 ALA HB% H 1 1.343 0.019 A 122 ALA C C 13 180.410 0.000 A 122 ALA CA C 13 55.013 0.044 A 122 ALA CB C 13 18.039 0.000 A 122 ALA N N 15 121.070 0.106 A 123 LEU H H 1 7.185 0.023 A 123 LEU HA H 1 4.067 0.022 A 123 LEU HB2 H 1 1.523 0.030 A 123 LEU HD1% H 1 0.452 0.024 A 123 LEU C C 13 178.651 0.000 A 123 LEU CA C 13 57.624 0.087 A 123 LEU CB C 13 40.392 0.000 A 123 LEU N N 15 118.605 0.199 A 124 LEU H H 1 8.513 0.020 A 124 LEU HA H 1 3.960 0.012 A 124 LEU HBy H 1 1.690 0.019 A 124 LEU HBx H 1 1.538 0.011 A 124 LEU C C 13 179.228 0.000 A 124 LEU CA C 13 58.625 0.069 A 124 LEU CB C 13 41.753 0.000 A 124 LEU N N 15 120.280 0.059 A 125 GLU H H 1 8.398 0.019 A 125 GLU HA H 1 3.941 0.008 A 125 GLU C C 13 176.250 0.000 A 125 GLU CA C 13 59.513 0.021 A 125 GLU CB C 13 32.896 0.000 A 125 GLU N N 15 118.247 0.077 A 126 GLU H H 1 7.480 0.026 A 126 GLU HA H 1 4.661 0.029 A 126 GLU C C 13 180.722 0.000 A 126 GLU CA C 13 58.824 0.551 A 126 GLU CB C 13 29.540 0.000 A 126 GLU N N 15 118.526 0.102 A 127 LEU H H 1 8.580 0.025 A 127 LEU HA H 1 3.979 0.025 A 127 LEU HBy H 1 2.062 0.014 A 127 LEU HBx H 1 1.987 0.006 A 127 LEU HDx% H 1 1.019 0.022 A 127 LEU HDy% H 1 0.644 0.022 A 127 LEU C C 13 178.723 0.000 A 127 LEU CA C 13 58.141 0.038 A 127 LEU CB C 13 42.060 0.000 A 127 LEU N N 15 121.843 0.108 A 128 LYS H H 1 9.034 0.016 A 128 LYS HA H 1 3.805 0.011 A 128 LYS HE2 H 1 2.790 0.019 A 128 LYS C C 13 179.386 0.000 A 128 LYS CA C 13 59.767 0.021 A 128 LYS CB C 13 32.086 0.000 A 128 LYS N N 15 121.130 0.030 A 129 ALA H H 1 7.878 0.034 A 129 ALA HA H 1 4.168 0.014 A 129 ALA HB% H 1 1.509 0.022 A 129 ALA C C 13 181.182 0.000 A 129 ALA CA C 13 54.822 0.034 A 129 ALA CB C 13 17.462 0.000 A 129 ALA N N 15 123.054 0.112 A 130 LEU H H 1 7.564 0.023 A 130 LEU HA H 1 3.984 0.022 A 130 LEU HD1% H 1 0.359 0.025 A 130 LEU C C 13 177.426 0.000 A 130 LEU CA C 13 57.653 0.063 A 130 LEU CB C 13 40.935 0.000 A 130 LEU N N 15 121.009 0.061 A 131 ASP H H 1 8.426 0.018 A 131 ASP HA H 1 4.144 0.013 A 131 ASP HBy H 1 2.148 0.013 A 131 ASP HBx H 1 1.844 0.016 A 131 ASP C C 13 177.697 0.000 A 131 ASP CA C 13 59.192 0.029 A 131 ASP CB C 13 44.040 0.000 A 131 ASP N N 15 120.652 0.101 A 132 GLY H H 1 8.349 0.020 A 132 GLY HAy H 1 3.827 0.017 A 132 GLY HAx H 1 3.649 0.015 A 132 GLY C C 13 176.694 0.000 A 132 GLY CA C 13 46.864 0.067 A 132 GLY N N 15 102.718 0.056 A 133 HIS H H 1 7.856 0.016 A 133 HIS HA H 1 4.125 0.004 A 133 HIS HBx H 1 3.064 0.018 A 133 HIS HBy H 1 3.389 0.018 A 133 HIS C C 13 177.935 0.000 A 133 HIS CA C 13 60.850 0.051 A 133 HIS CB C 13 31.196 0.000 A 133 HIS N N 15 122.295 0.062 A 134 LEU H H 1 8.257 0.025 A 134 LEU HA H 1 4.213 0.013 A 134 LEU HBy H 1 1.485 0.028 A 134 LEU HBx H 1 1.220 0.026 A 134 LEU HDx% H 1 0.962 0.022 A 134 LEU HDy% H 1 0.374 0.018 A 134 LEU C C 13 178.328 0.000 A 134 LEU CA C 13 56.394 0.020 A 134 LEU CB C 13 43.012 0.000 A 134 LEU N N 15 119.514 0.068 A 135 LYS H H 1 7.679 0.023 A 135 LYS HA H 1 2.763 0.018 A 135 LYS HB2 H 1 1.654 0.026 A 135 LYS HE2 H 1 2.908 0.010 A 135 LYS HG2 H 1 1.071 0.018 A 135 LYS HZ1 H 1 6.849 0.005 A 135 LYS HZ2 H 1 6.849 0.005 A 135 LYS HZ3 H 1 6.849 0.005 A 135 LYS C C 13 176.746 0.000 A 135 LYS CA C 13 59.281 0.025 A 135 LYS CB C 13 32.223 0.000 A 135 LYS N N 15 119.999 0.051 A 136 VAL H H 1 6.428 0.019 A 136 VAL HA H 1 3.730 0.009 A 136 VAL HB H 1 1.497 0.009 A 136 VAL HGx% H 1 0.638 0.007 A 136 VAL HGy% H 1 0.246 0.006 A 136 VAL C C 13 176.418 0.000 A 136 VAL CA C 13 62.940 0.078 A 136 VAL CB C 13 33.427 0.000 A 136 VAL N N 15 112.493 0.059 A 137 HIS H H 1 8.040 0.019 A 137 HIS HA H 1 4.490 0.010 A 137 HIS HBx H 1 1.788 0.012 A 137 HIS HBy H 1 2.846 0.002 A 137 HIS HE1 H 1 8.167 0.000 A 137 HIS HE2 H 1 7.054 0.008 A 137 HIS C C 13 172.863 0.000 A 137 HIS CA C 13 55.224 0.032 A 137 HIS CB C 13 29.640 0.000 A 137 HIS N N 15 117.159 0.091 A 138 GLY H H 1 7.314 0.013 A 138 GLY HAy H 1 5.125 0.010 A 138 GLY HAx H 1 3.641 0.021 A 138 GLY CA C 13 44.931 0.000 A 138 GLY N N 15 104.231 0.038 A 139 PRO HA H 1 4.655 0.021 A 139 PRO HB2 H 1 1.951 0.027 A 139 PRO HDy H 1 3.824 0.024 A 139 PRO HDx H 1 3.326 0.009 A 139 PRO C C 13 175.688 0.000 A 139 PRO CA C 13 64.247 0.179 A 139 PRO CB C 13 34.522 0.000 A 140 PHE H H 1 8.326 0.017 A 140 PHE HA H 1 5.063 0.020 A 140 PHE HBy H 1 3.005 0.000 A 140 PHE HBx H 1 2.889 0.024 A 140 PHE HD1 H 1 6.792 0.016 A 140 PHE HD2 H 1 6.792 0.016 A 140 PHE HE1 H 1 7.019 0.023 A 140 PHE HE2 H 1 7.019 0.023 A 140 PHE C C 13 176.165 0.000 A 140 PHE CA C 13 56.863 0.191 A 140 PHE CB C 13 38.670 0.000 A 140 PHE N N 15 117.517 0.113 A 141 ILE H H 1 9.250 0.018 A 141 ILE HA H 1 5.563 0.000 A 141 ILE HG12 H 1 0.908 0.019 A 141 ILE C C 13 176.113 0.000 A 141 ILE CA C 13 66.078 0.032 A 141 ILE CB C 13 35.729 0.000 A 141 ILE N N 15 119.485 0.054 A 142 ALA H H 1 9.176 0.022 A 142 ALA HA H 1 4.269 0.019 A 142 ALA HB% H 1 1.265 0.021 A 142 ALA C C 13 177.145 0.000 A 142 ALA CA C 13 49.064 0.029 A 142 ALA CB C 13 19.320 0.000 A 142 ALA N N 15 117.432 0.191 A 143 GLY H H 1 7.535 0.020 A 143 GLY HAx H 1 3.735 0.018 A 143 GLY HAy H 1 4.335 0.021 A 143 GLY C C 13 173.768 0.000 A 143 GLY CA C 13 45.621 0.106 A 143 GLY N N 15 111.518 0.090 A 144 GLU H H 1 8.597 0.013 A 144 GLU HA H 1 3.996 0.011 A 144 GLU HBx H 1 2.072 0.021 A 144 GLU HBy H 1 2.292 0.018 A 144 GLU C C 13 176.140 0.000 A 144 GLU CA C 13 58.355 0.048 A 144 GLU CB C 13 30.601 0.000 A 144 GLU N N 15 121.721 0.076 A 145 LYS H H 1 7.804 0.012 A 145 LYS HA H 1 4.564 0.008 A 145 LYS HB2 H 1 1.563 0.002 A 145 LYS HDy H 1 1.456 0.012 A 145 LYS HDx H 1 1.126 0.018 A 145 LYS HEy H 1 3.179 0.010 A 145 LYS HEx H 1 2.747 0.008 A 145 LYS HGx H 1 1.303 0.005 A 145 LYS HGy H 1 1.674 0.004 A 145 LYS C C 13 174.738 0.000 A 145 LYS CA C 13 53.925 0.055 A 145 LYS CB C 13 34.238 0.000 A 145 LYS N N 15 116.857 0.135 A 146 ILE H H 1 7.642 0.017 A 146 ILE HA H 1 3.373 0.014 A 146 ILE HB H 1 2.369 0.000 A 146 ILE HD1% H 1 0.195 0.017 A 146 ILE HG1x H 1 0.466 0.006 A 146 ILE HG1y H 1 0.619 0.021 A 146 ILE HG2% H 1 0.326 0.008 A 146 ILE C C 13 173.792 0.000 A 146 ILE CA C 13 60.869 0.044 A 146 ILE CB C 13 38.255 0.000 A 146 ILE N N 15 124.311 0.140 A 147 THR H H 1 9.269 0.021 A 147 THR HA H 1 4.527 0.009 A 147 THR HB H 1 4.404 0.018 A 147 THR C C 13 174.412 0.000 A 147 THR CA C 13 60.360 0.065 A 147 THR N N 15 115.527 0.108 A 148 ALA H H 1 9.437 0.021 A 148 ALA HA H 1 5.150 0.002 A 148 ALA C C 13 178.112 0.000 A 148 ALA CA C 13 55.486 0.105 A 148 ALA CB C 13 18.679 0.000 A 148 ALA N N 15 122.973 0.027 A 149 VAL H H 1 8.323 0.018 A 149 VAL HA H 1 4.539 0.008 A 149 VAL HB H 1 2.480 0.027 A 149 VAL HGx% H 1 0.883 0.026 A 149 VAL HGy% H 1 0.932 0.000 A 149 VAL C C 13 176.894 0.000 A 149 VAL CA C 13 65.622 0.024 A 149 VAL CB C 13 31.234 0.000 A 149 VAL N N 15 118.259 0.092 A 150 ASP H H 1 7.439 0.020 A 150 ASP HA H 1 4.679 0.018 A 150 ASP HBy H 1 2.773 0.023 A 150 ASP HBx H 1 2.638 0.000 A 150 ASP C C 13 177.676 0.000 A 150 ASP CA C 13 57.495 0.103 A 150 ASP N N 15 120.174 0.086 A 151 LEU H H 1 7.155 0.028 A 151 LEU HA H 1 4.034 0.021 A 151 LEU HBy H 1 2.010 0.017 A 151 LEU HBx H 1 1.842 0.014 A 151 LEU C C 13 176.209 0.000 A 151 LEU CA C 13 56.065 0.034 A 151 LEU CB C 13 38.974 0.000 A 151 LEU N N 15 114.948 0.111 A 152 SER H H 1 7.483 0.019 A 152 SER HA H 1 4.075 0.015 A 152 SER HBy H 1 3.911 0.032 A 152 SER HBx H 1 3.445 0.000 A 152 SER C C 13 177.938 0.000 A 152 SER CA C 13 59.097 0.082 A 152 SER CB C 13 63.736 0.000 A 152 SER N N 15 108.625 0.109 A 153 LEU H H 1 8.230 0.028 A 153 LEU HA H 1 3.650 0.022 A 153 LEU HB2 H 1 1.672 0.019 A 153 LEU HD1% H 1 1.180 0.033 A 153 LEU C C 13 179.297 0.000 A 153 LEU CA C 13 57.196 0.050 A 153 LEU CB C 13 42.440 0.000 A 153 LEU N N 15 119.508 0.105 A 154 ALA H H 1 8.794 0.016 A 154 ALA HA H 1 4.195 0.011 A 154 ALA CA C 13 57.740 0.000 A 154 ALA N N 15 120.719 0.043 A 155 PRO HA H 1 4.404 0.013 A 155 PRO HBx H 1 2.242 0.024 A 155 PRO HBy H 1 2.463 0.026 A 155 PRO C C 13 178.910 0.000 A 155 PRO CA C 13 66.174 0.040 A 155 PRO CB C 13 33.708 0.000 A 156 LYS H H 1 6.614 0.026 A 156 LYS HA H 1 3.796 0.016 A 156 LYS HBx H 1 1.398 0.021 A 156 LYS HBy H 1 2.126 0.023 A 156 LYS HG2 H 1 1.800 0.015 A 156 LYS C C 13 178.308 0.000 A 156 LYS CA C 13 60.006 0.031 A 156 LYS CB C 13 33.227 0.000 A 156 LYS N N 15 113.941 0.074 A 157 LEU H H 1 8.666 0.024 A 157 LEU HA H 1 4.158 0.019 A 157 LEU HBy H 1 1.867 0.010 A 157 LEU HBx H 1 1.506 0.013 A 157 LEU HG H 1 0.867 0.032 A 157 LEU C C 13 177.812 0.000 A 157 LEU CA C 13 57.313 0.046 A 157 LEU CB C 13 41.238 0.000 A 157 LEU N N 15 118.447 0.076 A 158 TYR H H 1 8.222 0.019 A 158 TYR HA H 1 4.526 0.011 A 158 TYR HBy H 1 3.308 0.012 A 158 TYR HBx H 1 3.108 0.008 A 158 TYR HD1 H 1 7.057 0.034 A 158 TYR HD2 H 1 7.057 0.034 A 158 TYR HE1 H 1 6.045 0.003 A 158 TYR HE2 H 1 6.045 0.003 A 158 TYR C C 13 176.573 0.000 A 158 TYR CA C 13 60.699 0.013 A 158 TYR CB C 13 38.360 0.000 A 158 TYR N N 15 120.992 0.058 A 159 HIS H H 1 7.894 0.019 A 159 HIS HA H 1 4.961 0.002 A 159 HIS HBx H 1 2.360 0.020 A 159 HIS HBy H 1 3.188 0.016 A 159 HIS HD1 H 1 3.310 0.000 A 159 HIS HD2 H 1 6.654 0.016 A 159 HIS HE1 H 1 7.671 0.000 A 159 HIS C C 13 176.233 0.000 A 159 HIS CA C 13 62.362 0.095 A 159 HIS CB C 13 33.064 0.000 A 159 HIS N N 15 117.511 0.075 A 160 LEU H H 1 7.473 0.025 A 160 LEU HA H 1 3.924 0.014 A 160 LEU HBy H 1 1.276 0.000 A 160 LEU HBx H 1 1.097 0.000 A 160 LEU HD1% H 1 1.035 0.018 A 160 LEU C C 13 181.631 0.000 A 160 LEU CA C 13 58.364 0.243 A 160 LEU CB C 13 42.742 0.000 A 160 LEU N N 15 118.595 0.113 A 161 GLU H H 1 8.316 0.023 A 161 GLU HA H 1 3.939 0.013 A 161 GLU HBy H 1 2.501 0.010 A 161 GLU HBx H 1 2.080 0.023 A 161 GLU HGx H 1 1.645 0.023 A 161 GLU HGy H 1 2.215 0.004 A 161 GLU C C 13 180.563 0.000 A 161 GLU CA C 13 59.923 0.018 A 161 GLU CB C 13 29.495 0.000 A 161 GLU N N 15 118.293 0.185 A 162 VAL H H 1 8.397 0.018 A 162 VAL HA H 1 3.513 0.022 A 162 VAL HB H 1 2.693 0.022 A 162 VAL HG1% H 1 0.635 0.005 A 162 VAL C C 13 179.398 0.000 A 162 VAL CA C 13 65.808 0.061 A 162 VAL CB C 13 32.958 0.000 A 162 VAL N N 15 119.129 0.132 A 163 ALA H H 1 9.277 0.014 A 163 ALA HA H 1 4.206 0.028 A 163 ALA HB% H 1 1.329 0.019 A 163 ALA C C 13 180.515 0.000 A 163 ALA CA C 13 55.827 0.049 A 163 ALA CB C 13 17.682 0.000 A 163 ALA N N 15 120.742 0.018 A 164 LEU H H 1 8.525 0.016 A 164 LEU HA H 1 4.109 0.014 A 164 LEU HBx H 1 1.173 0.007 A 164 LEU HBy H 1 1.802 0.014 A 164 LEU HD1% H 1 0.334 0.008 A 164 LEU HG H 1 1.732 0.037 A 164 LEU C C 13 181.204 0.000 A 164 LEU CA C 13 58.640 0.100 A 164 LEU CB C 13 39.383 0.000 A 164 LEU N N 15 115.458 0.061 A 165 GLY H H 1 7.708 0.015 A 165 GLY HAy H 1 3.898 0.006 A 165 GLY HAx H 1 3.645 0.017 A 165 GLY C C 13 174.685 0.000 A 165 GLY CA C 13 47.944 0.071 A 165 GLY N N 15 107.554 0.040 A 166 HIS H H 1 7.736 0.028 A 166 HIS HBx H 1 3.347 0.014 A 166 HIS HBy H 1 3.744 0.025 A 166 HIS C C 13 176.322 0.000 A 166 HIS CA C 13 59.279 0.019 A 166 HIS CB C 13 30.116 0.000 A 166 HIS N N 15 117.417 0.111 A 167 PHE H H 1 8.760 0.013 A 167 PHE HA H 1 4.102 0.007 A 167 PHE HBx H 1 2.700 0.017 A 167 PHE HBy H 1 3.711 0.011 A 167 PHE HD1 H 1 7.876 0.013 A 167 PHE HD2 H 1 7.876 0.013 A 167 PHE HE1 H 1 7.336 0.027 A 167 PHE HE2 H 1 7.336 0.027 A 167 PHE HZ H 1 7.183 0.000 A 167 PHE C C 13 176.903 0.000 A 167 PHE CA C 13 61.180 0.052 A 167 PHE CB C 13 38.985 0.000 A 167 PHE N N 15 112.250 0.028 A 168 LYS H H 1 7.000 0.028 A 168 LYS HA H 1 4.519 0.007 A 168 LYS HBy H 1 1.973 0.011 A 168 LYS HBx H 1 1.672 0.013 A 168 LYS HD2 H 1 1.556 0.027 A 168 LYS HEy H 1 3.230 0.000 A 168 LYS HEx H 1 2.806 0.024 A 168 LYS HGx H 1 0.487 0.026 A 168 LYS HGy H 1 1.411 0.000 A 168 LYS HZ1 H 1 7.858 0.000 A 168 LYS HZ2 H 1 7.858 0.000 A 168 LYS HZ3 H 1 7.858 0.000 A 168 LYS C C 13 174.898 0.000 A 168 LYS CA C 13 54.591 0.020 A 168 LYS CB C 13 33.979 0.000 A 168 LYS N N 15 113.086 0.253 A 169 ASN H H 1 7.102 0.022 A 169 ASN HA H 1 4.655 0.006 A 169 ASN HBy H 1 3.002 0.012 A 169 ASN HBx H 1 2.561 0.017 A 169 ASN HD21 H 1 6.664 0.013 A 169 ASN HD22 H 1 7.453 0.008 A 169 ASN C C 13 173.795 0.000 A 169 ASN CA C 13 54.057 0.125 A 169 ASN CB C 13 37.434 0.000 A 169 ASN N N 15 117.959 0.074 A 169 ASN ND2 N 15 111.845 0.183 A 170 TRP H H 1 7.586 0.022 A 170 TRP HA H 1 5.407 0.000 A 170 TRP HD1 H 1 7.439 0.022 A 170 TRP HE1 H 1 10.904 0.013 A 170 TRP HE3 H 1 6.177 0.006 A 170 TRP HH2 H 1 6.747 0.026 A 170 TRP HZ2 H 1 6.998 0.024 A 170 TRP HZ3 H 1 6.545 0.005 A 170 TRP CA C 13 56.113 0.000 A 170 TRP N N 15 121.790 0.119 A 170 TRP NE1 N 15 131.757 0.027 A 171 PRO HA H 1 4.836 0.000 A 172 ILE H H 1 7.789 0.028 A 172 ILE HA H 1 4.198 0.019 A 172 ILE HB H 1 1.465 0.017 A 172 ILE HD1% H 1 0.194 0.026 A 172 ILE HG2% H 1 0.251 0.018 A 172 ILE N N 15 119.720 0.196 A 173 PRO HA H 1 4.047 0.007 A 173 PRO HBy H 1 2.218 0.020 A 173 PRO HBx H 1 2.059 0.005 A 173 PRO HDx H 1 3.201 0.029 A 173 PRO HDy H 1 3.421 0.029 A 173 PRO HG2 H 1 1.722 0.022 A 173 PRO C C 13 176.498 0.000 A 173 PRO CA C 13 63.599 0.001 A 173 PRO CB C 13 32.556 0.000 A 174 ASP H H 1 7.762 0.021 A 174 ASP HA H 1 3.941 0.012 A 174 ASP HBx H 1 2.421 0.007 A 174 ASP HBy H 1 3.001 0.000 A 174 ASP C C 13 175.920 0.000 A 174 ASP CA C 13 55.465 0.050 A 174 ASP CB C 13 40.391 0.000 A 174 ASP N N 15 119.281 0.147 A 175 ASN H H 1 7.679 0.017 A 175 ASN HA H 1 4.434 0.016 A 175 ASN HBy H 1 2.910 0.009 A 175 ASN HBx H 1 2.555 0.025 A 175 ASN HD21 H 1 7.503 0.018 A 175 ASN HD22 H 1 6.466 0.012 A 175 ASN C C 13 176.651 0.000 A 175 ASN CA C 13 53.285 0.063 A 175 ASN CB C 13 36.894 0.000 A 175 ASN N N 15 112.280 0.019 A 175 ASN ND2 N 15 111.204 0.225 A 176 LEU H H 1 7.607 0.017 A 176 LEU HA H 1 4.540 0.009 A 176 LEU HBy H 1 1.834 0.011 A 176 LEU HBx H 1 1.505 0.021 A 176 LEU HDx% H 1 1.371 0.010 A 176 LEU HDy% H 1 1.225 0.020 A 176 LEU HG H 1 0.779 0.011 A 176 LEU C C 13 176.867 0.000 A 176 LEU CA C 13 52.495 0.030 A 176 LEU CB C 13 38.112 0.000 A 176 LEU N N 15 125.607 0.055 A 177 THR H H 1 7.488 0.019 A 177 THR HA H 1 3.445 0.011 A 177 THR HB H 1 4.651 0.012 A 177 THR HG2% H 1 1.023 0.024 A 177 THR C C 13 176.685 0.000 A 177 THR CA C 13 65.191 0.071 A 177 THR CB C 13 68.505 0.000 A 177 THR N N 15 110.739 0.118 A 178 HIS H H 1 9.053 0.018 A 178 HIS HA H 1 4.171 0.016 A 178 HIS HB2 H 1 3.203 0.013 A 178 HIS C C 13 178.859 0.000 A 178 HIS CA C 13 59.568 0.068 A 178 HIS CB C 13 28.247 0.000 A 178 HIS N N 15 122.244 0.075 A 179 VAL H H 1 8.326 0.016 A 179 VAL HA H 1 3.423 0.024 A 179 VAL C C 13 176.945 0.000 A 179 VAL CA C 13 66.972 0.084 A 179 VAL CB C 13 31.530 0.000 A 179 VAL N N 15 123.441 0.066 A 180 LEU H H 1 8.101 0.023 A 180 LEU HA H 1 3.832 0.019 A 180 LEU HD1% H 1 0.638 0.009 A 180 LEU C C 13 179.703 0.000 A 180 LEU CA C 13 58.392 0.085 A 180 LEU CB C 13 40.831 0.000 A 180 LEU N N 15 118.738 0.120 A 181 ASN H H 1 7.792 0.015 A 181 ASN HA H 1 4.211 0.018 A 181 ASN HBy H 1 2.695 0.025 A 181 ASN HBx H 1 2.625 0.024 A 181 ASN HD21 H 1 6.658 0.017 A 181 ASN HD22 H 1 7.471 0.026 A 181 ASN C C 13 176.060 0.000 A 181 ASN CA C 13 56.132 0.023 A 181 ASN CB C 13 38.629 0.000 A 181 ASN N N 15 118.392 0.077 A 181 ASN ND2 N 15 113.110 0.217 A 182 TYR H H 1 7.791 0.035 A 182 TYR HA H 1 4.108 0.021 A 182 TYR HBy H 1 3.141 0.005 A 182 TYR HBx H 1 2.849 0.020 A 182 TYR HD1 H 1 6.932 0.031 A 182 TYR HD2 H 1 6.932 0.031 A 182 TYR C C 13 176.505 0.000 A 182 TYR CA C 13 60.637 0.023 A 182 TYR CB C 13 40.559 0.000 A 182 TYR N N 15 123.053 0.161 A 183 ILE H H 1 8.047 0.019 A 183 ILE HA H 1 4.360 0.008 A 183 ILE HB H 1 2.742 0.023 A 183 ILE HD1% H 1 0.084 0.005 A 183 ILE HG12 H 1 1.150 0.028 A 183 ILE HG2% H 1 0.787 0.021 A 183 ILE C C 13 178.560 0.000 A 183 ILE CA C 13 65.564 0.015 A 183 ILE CB C 13 37.001 0.000 A 183 ILE N N 15 115.660 0.051 A 184 LYS H H 1 7.138 0.028 A 184 LYS HA H 1 3.193 0.017 A 184 LYS HBy H 1 1.678 0.030 A 184 LYS HBx H 1 1.317 0.019 A 184 LYS C C 13 179.627 0.000 A 184 LYS CA C 13 59.318 0.036 A 184 LYS CB C 13 31.946 0.000 A 184 LYS N N 15 118.817 0.055 A 185 LEU H H 1 7.714 0.027 A 185 LEU HA H 1 4.546 0.023 A 185 LEU HBx H 1 0.362 0.022 A 185 LEU HBy H 1 1.713 0.030 A 185 LEU HG H 1 1.027 0.023 A 185 LEU C C 13 179.984 0.000 A 185 LEU CA C 13 57.394 0.036 A 185 LEU CB C 13 42.484 0.000 A 185 LEU N N 15 119.945 0.074 A 186 LEU H H 1 8.136 0.022 A 186 LEU HA H 1 3.676 0.012 A 186 LEU HBy H 1 2.513 0.004 A 186 LEU HBx H 1 1.521 0.018 A 186 LEU HD1% H 1 0.492 0.030 A 186 LEU C C 13 173.819 0.000 A 186 LEU CA C 13 57.337 0.061 A 186 LEU CB C 13 42.114 0.000 A 186 LEU N N 15 119.830 0.111 A 187 PHE H H 1 8.383 0.025 A 187 PHE HA H 1 3.792 0.023 A 187 PHE HB2 H 1 2.873 0.011 A 187 PHE HD1 H 1 6.198 0.019 A 187 PHE HD2 H 1 6.198 0.019 A 187 PHE C C 13 176.955 0.000 A 187 PHE CA C 13 55.108 0.024 A 187 PHE CB C 13 35.306 0.000 A 187 PHE N N 15 114.822 0.105 A 188 SER H H 1 7.224 0.017 A 188 SER HA H 1 4.315 0.008 A 188 SER HB2 H 1 3.932 0.027 A 188 SER C C 13 174.521 0.000 A 188 SER CA C 13 58.577 0.077 A 188 SER CB C 13 64.097 0.000 A 188 SER N N 15 110.000 0.037 A 189 ARG H H 1 7.250 0.016 A 189 ARG HA H 1 4.161 0.007 A 189 ARG HBx H 1 2.170 0.018 A 189 ARG HBy H 1 2.715 0.018 A 189 ARG C C 13 174.047 0.000 A 189 ARG CA C 13 57.181 0.023 A 189 ARG CB C 13 31.192 0.000 A 189 ARG N N 15 122.611 0.051 A 190 GLU H H 1 9.003 0.019 A 190 GLU HA H 1 3.858 0.021 A 190 GLU HBy H 1 2.277 0.014 A 190 GLU HBx H 1 1.925 0.019 A 190 GLU C C 13 178.013 0.000 A 190 GLU CA C 13 59.803 0.037 A 190 GLU CB C 13 29.301 0.000 A 190 GLU N N 15 125.134 0.107 A 191 SER H H 1 8.447 0.012 A 191 SER HA H 1 3.728 0.014 A 191 SER C C 13 175.915 0.000 A 191 SER CA C 13 60.694 0.040 A 191 SER N N 15 112.425 0.036 A 192 PHE H H 1 6.843 0.023 A 192 PHE HA H 1 3.455 0.025 A 192 PHE HB2 H 1 3.310 0.016 A 192 PHE C C 13 176.537 0.000 A 192 PHE CA C 13 62.399 0.037 A 192 PHE CB C 13 40.570 0.000 A 192 PHE N N 15 126.030 0.033 A 193 LYS H H 1 8.176 0.017 A 193 LYS HA H 1 3.584 0.017 A 193 LYS HBy H 1 1.731 0.023 A 193 LYS HBx H 1 1.556 0.018 A 193 LYS HG2 H 1 1.377 0.012 A 193 LYS C C 13 179.194 0.000 A 193 LYS CA C 13 60.325 0.048 A 193 LYS CB C 13 32.268 0.000 A 193 LYS N N 15 118.657 0.093 A 194 LYS H H 1 7.980 0.016 A 194 LYS HA H 1 3.999 0.019 A 194 LYS HBy H 1 1.681 0.011 A 194 LYS HBx H 1 1.293 0.013 A 194 LYS HG2 H 1 1.442 0.016 A 194 LYS C C 13 177.508 0.000 A 194 LYS CA C 13 58.029 0.016 A 194 LYS CB C 13 33.705 0.000 A 194 LYS N N 15 113.957 0.053 A 195 THR H H 1 6.915 0.019 A 195 THR HA H 1 4.135 0.012 A 195 THR HB H 1 4.054 0.024 A 195 THR HG2% H 1 0.805 0.020 A 195 THR C C 13 172.172 0.000 A 195 THR CA C 13 60.781 0.095 A 195 THR CB C 13 70.416 0.000 A 195 THR N N 15 105.020 0.054 A 196 ARG H H 1 6.840 0.018 A 196 ARG HA H 1 3.633 0.018 A 196 ARG HG2 H 1 0.988 0.027 A 196 ARG C C 13 174.829 0.000 A 196 ARG CA C 13 54.929 0.011 A 196 ARG CB C 13 29.579 0.000 A 196 ARG N N 15 120.967 0.029 A 197 ALA H H 1 8.141 0.023 A 197 ALA HA H 1 3.620 0.002 A 197 ALA HB% H 1 1.213 0.025 A 197 ALA C C 13 176.655 0.000 A 197 ALA CA C 13 49.903 0.019 A 197 ALA CB C 13 19.320 0.000 A 197 ALA N N 15 125.988 0.063 A 198 ALA H H 1 9.117 0.010 A 198 ALA HA H 1 4.036 0.016 A 198 ALA HB% H 1 1.310 0.027 A 198 ALA C C 13 178.829 0.000 A 198 ALA CA C 13 52.408 0.015 A 198 ALA CB C 13 18.181 0.000 A 198 ALA N N 15 125.248 0.043 A 199 GLU H H 1 9.882 0.021 A 199 GLU HA H 1 4.177 0.023 A 199 GLU HBy H 1 2.373 0.009 A 199 GLU HBx H 1 1.819 0.019 A 199 GLU C C 13 178.385 0.000 A 199 GLU CA C 13 62.031 0.038 A 199 GLU CB C 13 28.399 0.000 A 199 GLU N N 15 125.038 0.029 A 200 GLU H H 1 9.287 0.016 A 200 GLU HA H 1 3.769 0.014 A 200 GLU HBy H 1 2.714 0.015 A 200 GLU HBx H 1 1.614 0.016 A 200 GLU C C 13 178.560 0.000 A 200 GLU CA C 13 58.987 0.021 A 200 GLU CB C 13 28.130 0.000 A 200 GLU N N 15 114.747 0.059 A 201 HIS H H 1 7.402 0.017 A 201 HIS HA H 1 4.659 0.013 A 201 HIS HB2 H 1 3.182 0.020 A 201 HIS C C 13 178.727 0.000 A 201 HIS CA C 13 57.886 0.017 A 201 HIS CB C 13 30.554 0.000 A 201 HIS N N 15 121.036 0.083 A 202 VAL H H 1 7.602 0.024 A 202 VAL HA H 1 3.822 0.027 A 202 VAL HB H 1 2.181 0.022 A 202 VAL HG1% H 1 0.295 0.023 A 202 VAL CA C 13 66.065 0.086 A 202 VAL CB C 13 31.630 0.000 A 202 VAL N N 15 124.600 0.121 A 203 ILE H H 1 8.037 0.016 A 203 ILE HA H 1 4.718 0.009 A 203 ILE HB H 1 2.649 0.009 A 203 ILE HD1% H 1 0.165 0.015 A 203 ILE HG12 H 1 1.473 0.030 A 203 ILE C C 13 178.344 0.000 A 203 ILE CA C 13 66.169 0.056 A 203 ILE CB C 13 32.556 0.000 A 203 ILE N N 15 118.818 0.111 A 204 ALA H H 1 7.783 0.025 A 204 ALA HA H 1 3.949 0.006 A 204 ALA HB% H 1 1.978 0.000 A 204 ALA C C 13 180.157 0.000 A 204 ALA CA C 13 54.811 0.049 A 204 ALA CB C 13 18.505 0.000 A 204 ALA N N 15 119.499 0.187 A 205 GLY H H 1 7.631 0.018 A 205 GLY HAy H 1 3.921 0.023 A 205 GLY HAx H 1 3.893 0.009 A 205 GLY C C 13 176.036 0.000 A 205 GLY CA C 13 46.224 0.017 A 205 GLY N N 15 103.052 0.055 A 206 TRP H H 1 7.606 0.026 A 206 TRP HA H 1 4.512 0.010 A 206 TRP HD1 H 1 7.520 0.016 A 206 TRP HE3 H 1 7.183 0.007 A 206 TRP HZ2 H 1 6.697 0.015 A 206 TRP CA C 13 58.953 0.000 A 206 TRP N N 15 118.700 0.131 A 208 PRO C C 13 175.934 0.000 A 208 PRO CA C 13 64.682 0.000 A 208 PRO CB C 13 32.811 0.000 A 209 LYS H H 1 7.627 0.013 A 209 LYS HA H 1 4.519 0.010 A 209 LYS HBx H 1 1.760 0.020 A 209 LYS HBy H 1 2.085 0.015 A 209 LYS HD2 H 1 1.481 0.000 A 209 LYS HGy H 1 1.851 0.018 A 209 LYS HGx H 1 1.036 0.000 A 209 LYS HZ1 H 1 7.016 0.023 A 209 LYS HZ2 H 1 7.016 0.023 A 209 LYS HZ3 H 1 7.016 0.023 A 209 LYS N N 15 115.918 0.100 A 209 LYS NZ N 15 113.117 0.232 A 210 VAL HA H 1 3.551 0.004 A 210 VAL C C 13 179.017 0.000 A 211 ASN H H 1 8.301 0.026 A 211 ASN HB2 H 1 2.939 0.024 A 211 ASN HD21 H 1 7.455 0.012 A 211 ASN HD22 H 1 6.806 0.016 A 211 ASN C C 13 174.428 0.000 A 211 ASN CA C 13 52.521 0.000 A 211 ASN CB C 13 38.698 0.000 A 211 ASN N N 15 115.675 0.071 A 211 ASN ND2 N 15 113.136 0.229 A 212 ALA H H 1 7.740 0.021 A 212 ALA HA H 1 4.124 0.014 A 212 ALA HB% H 1 1.209 0.009 A 212 ALA C C 13 177.419 0.000 A 212 ALA CA C 13 52.722 0.000 A 212 ALA CB C 13 19.069 0.000 A 212 ALA N N 15 123.284 0.061 A 213 HIS H H 1 8.333 0.005 A 213 HIS HA H 1 4.502 0.007 A 213 HIS HBx H 1 2.964 0.000 A 213 HIS HBy H 1 3.025 0.000 A 213 HIS HD1 H 1 4.698 0.010 A 213 HIS N N 15 117.683 0.049 A 214 HIS HA H 1 4.676 0.017 A 215 HIS H H 1 8.176 0.012 A 215 HIS HA H 1 4.356 0.022 A 215 HIS HBx H 1 3.000 0.019 A 215 HIS HBy H 1 3.133 0.000 A 215 HIS N N 15 125.321 0.005 A 217 HIS H H 1 6.957 0.005 A 217 HIS HA H 1 3.691 1.017 A 217 HIS HB2 H 1 2.663 0.024 A 217 HIS N N 15 117.038 0.013 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 save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_