data_25156 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25156 _Entry.PDB_ID 2MTC save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25156 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 30 30 LEU N N 30 118.365 118.365 123.264 -4.899 25156 2 1 1 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.413 -0.053 25156 3 1 1 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.630 -0.230 25156 4 1 1 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.486 0.714 25156 5 1 1 . 1 1 30 30 LEU H H 30 8.544 8.544 7.865 0.679 25156 6 1 1 . 1 1 31 31 LYS N N 31 119.962 119.962 123.329 -3.367 25156 7 1 1 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.542 0.118 25156 8 1 1 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.393 -0.893 25156 9 1 1 . 1 1 31 31 LYS CB C 31 35.700 35.700 33.801 1.899 25156 10 1 1 . 1 1 31 31 LYS H H 31 9.499 9.499 8.609 0.890 25156 11 1 1 . 1 1 32 32 GLY N N 32 107.471 107.471 109.226 -1.755 25156 12 1 1 . 1 1 32 32 GLY CA C 32 45.900 45.900 45.151 0.749 25156 13 1 1 . 1 1 32 32 GLY H H 32 8.548 8.548 8.121 0.427 25156 14 1 1 . 1 1 33 33 GLU N N 33 124.823 124.823 119.774 5.049 25156 15 1 1 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.005 0.005 25156 16 1 1 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.897 -0.497 25156 17 1 1 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.592 -0.792 25156 18 1 1 . 1 1 33 33 GLU H H 33 9.049 9.049 8.828 0.221 25156 19 1 1 . 1 1 34 34 THR N N 34 116.008 116.008 116.689 -0.681 25156 20 1 1 . 1 1 34 34 THR HA H 34 4.150 4.150 3.857 0.293 25156 21 1 1 . 1 1 34 34 THR CA C 34 66.200 66.200 65.748 0.452 25156 22 1 1 . 1 1 34 34 THR CB C 34 68.500 68.500 68.406 0.094 25156 23 1 1 . 1 1 34 34 THR H H 34 7.772 7.772 8.219 -0.447 25156 24 1 1 . 1 1 35 35 LYS N N 35 119.081 119.081 120.662 -1.581 25156 25 1 1 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.128 -0.478 25156 26 1 1 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.110 0.290 25156 27 1 1 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.713 -0.413 25156 28 1 1 . 1 1 35 35 LYS H H 35 6.838 6.838 7.529 -0.691 25156 29 1 1 . 1 1 36 36 ILE N N 36 116.476 116.476 116.853 -0.377 25156 30 1 1 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.025 -0.285 25156 31 1 1 . 1 1 36 36 ILE CA C 36 63.800 63.800 63.174 0.626 25156 32 1 1 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.798 0.302 25156 33 1 1 . 1 1 36 36 ILE H H 36 7.020 7.020 7.667 -0.647 25156 34 1 1 . 1 1 37 37 ILE N N 37 119.272 119.272 122.614 -3.342 25156 35 1 1 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.605 0.085 25156 36 1 1 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.202 -0.702 25156 37 1 1 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.061 1.339 25156 38 1 1 . 1 1 37 37 ILE H H 37 8.507 8.507 8.871 -0.364 25156 39 1 1 . 1 1 38 38 LEU N N 38 118.624 118.624 120.486 -1.862 25156 40 1 1 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.024 0.246 25156 41 1 1 . 1 1 38 38 LEU CA C 38 57.600 57.600 57.999 -0.399 25156 42 1 1 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.507 -1.407 25156 43 1 1 . 1 1 38 38 LEU H H 38 8.363 8.363 7.676 0.687 25156 44 1 1 . 1 1 39 39 GLU N N 39 118.123 118.123 118.861 -0.738 25156 45 1 1 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.016 -0.016 25156 46 1 1 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.622 0.278 25156 47 1 1 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.258 -1.258 25156 48 1 1 . 1 1 39 39 GLU H H 39 8.663 8.663 7.581 1.082 25156 49 1 1 . 1 1 40 40 ARG N N 40 120.230 120.230 119.272 0.958 25156 50 1 1 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.082 0.108 25156 51 1 1 . 1 1 40 40 ARG CA C 40 58.500 58.500 58.855 -0.355 25156 52 1 1 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.815 -0.315 25156 53 1 1 . 1 1 40 40 ARG H H 40 7.977 7.977 8.725 -0.748 25156 54 1 1 . 1 1 41 41 SER N N 41 114.690 114.690 114.929 -0.239 25156 55 1 1 . 1 1 41 41 SER HA H 41 4.210 4.210 4.294 -0.084 25156 56 1 1 . 1 1 41 41 SER CA C 41 61.900 61.900 61.717 0.183 25156 57 1 1 . 1 1 41 41 SER CB C 41 63.000 63.000 62.904 0.096 25156 58 1 1 . 1 1 41 41 SER H H 41 7.975 7.975 7.840 0.135 25156 59 1 1 . 1 1 42 42 ALA N N 42 124.202 124.202 124.922 -0.720 25156 60 1 1 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.180 -0.510 25156 61 1 1 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.963 -0.263 25156 62 1 1 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.315 -1.115 25156 63 1 1 . 1 1 42 42 ALA H H 42 8.578 8.578 7.866 0.712 25156 64 1 1 . 1 1 43 43 LYS N N 43 121.324 121.324 119.338 1.986 25156 65 1 1 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.931 0.129 25156 66 1 1 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.871 -1.472 25156 67 1 1 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.303 -1.003 25156 68 1 1 . 1 1 43 43 LYS H H 43 7.958 7.958 8.153 -0.195 25156 69 1 1 . 1 1 44 44 ASP N N 44 118.176 118.176 119.439 -1.263 25156 70 1 1 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.447 -0.057 25156 71 1 1 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.157 0.043 25156 72 1 1 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.574 -1.274 25156 73 1 1 . 1 1 44 44 ASP H H 44 8.111 8.111 7.669 0.442 25156 74 1 1 . 1 1 45 45 ILE N N 45 117.643 117.643 119.573 -1.930 25156 75 1 1 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.587 0.233 25156 76 1 1 . 1 1 45 45 ILE CA C 45 64.700 64.700 65.379 -0.679 25156 77 1 1 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.846 -0.246 25156 78 1 1 . 1 1 45 45 ILE H H 45 7.417 7.417 7.523 -0.106 25156 79 1 1 . 1 1 46 46 THR N N 46 116.310 116.310 115.576 0.734 25156 80 1 1 . 1 1 46 46 THR HA H 46 4.160 4.160 3.884 0.276 25156 81 1 1 . 1 1 46 46 THR CA C 46 66.200 66.200 66.927 -0.727 25156 82 1 1 . 1 1 46 46 THR CB C 46 67.500 67.500 68.279 -0.779 25156 83 1 1 . 1 1 46 46 THR H H 46 7.702 7.702 8.164 -0.462 25156 84 1 1 . 1 1 47 47 ASP N N 47 121.550 121.550 120.844 0.706 25156 85 1 1 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.474 -0.014 25156 86 1 1 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.596 0.404 25156 87 1 1 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.836 -1.436 25156 88 1 1 . 1 1 47 47 ASP H H 47 9.154 9.154 8.214 0.940 25156 89 1 1 . 1 1 48 48 GLU N N 48 122.105 122.105 120.679 1.426 25156 90 1 1 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.022 0.248 25156 91 1 1 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.352 -0.852 25156 92 1 1 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.109 -0.109 25156 93 1 1 . 1 1 48 48 GLU H H 48 7.812 7.812 8.029 -0.217 25156 94 1 1 . 1 1 49 49 ILE N N 49 119.770 119.770 118.517 1.253 25156 95 1 1 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.749 -0.169 25156 96 1 1 . 1 1 49 49 ILE CA C 49 65.700 65.700 64.119 1.581 25156 97 1 1 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.281 0.620 25156 98 1 1 . 1 1 49 49 ILE H H 49 8.655 8.655 7.636 1.019 25156 99 1 1 . 1 1 50 50 ASN N N 50 118.094 118.094 118.421 -0.327 25156 100 1 1 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.384 0.076 25156 101 1 1 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.290 -0.390 25156 102 1 1 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.209 -1.209 25156 103 1 1 . 1 1 50 50 ASN H H 50 8.399 8.399 7.718 0.681 25156 104 1 1 . 1 1 51 51 LYS N N 51 122.985 122.985 120.064 2.921 25156 105 1 1 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.013 0.087 25156 106 1 1 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.671 -0.171 25156 107 1 1 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.381 -0.681 25156 108 1 1 . 1 1 51 51 LYS H H 51 7.949 7.949 7.896 0.053 25156 109 1 1 . 1 1 52 52 ILE N N 52 121.342 121.342 119.401 1.941 25156 110 1 1 . 1 1 52 52 ILE HA H 52 3.790 3.790 4.029 -0.239 25156 111 1 1 . 1 1 52 52 ILE CA C 52 65.800 65.800 62.735 3.065 25156 112 1 1 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.880 1.620 25156 113 1 1 . 1 1 52 52 ILE H H 52 8.584 8.584 7.738 0.846 25156 114 1 1 . 1 1 53 53 LYS N N 53 118.268 118.268 120.904 -2.636 25156 115 1 1 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.711 0.209 25156 116 1 1 . 1 1 53 53 LYS CA C 53 60.400 60.400 60.546 -0.146 25156 117 1 1 . 1 1 53 53 LYS CB C 53 32.100 32.100 32.010 0.090 25156 118 1 1 . 1 1 53 53 LYS H H 53 8.548 8.548 7.974 0.574 25156 119 1 1 . 1 1 54 54 LYS N N 54 122.485 122.485 117.406 5.079 25156 120 1 1 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.995 0.165 25156 121 1 1 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.178 -0.278 25156 122 1 1 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.009 -0.209 25156 123 1 1 . 1 1 54 54 LYS H H 54 7.855 7.855 7.963 -0.108 25156 124 1 1 . 1 1 55 55 ASP N N 55 120.775 120.775 120.630 0.145 25156 125 1 1 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.517 -0.177 25156 126 1 1 . 1 1 55 55 ASP CA C 55 56.900 56.900 56.606 0.294 25156 127 1 1 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.904 -1.004 25156 128 1 1 . 1 1 55 55 ASP H H 55 8.813 8.813 7.664 1.149 25156 129 1 1 . 1 1 56 56 ALA N N 56 123.205 123.205 122.270 0.935 25156 130 1 1 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.063 -0.543 25156 131 1 1 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.309 -0.208 25156 132 1 1 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.854 -1.754 25156 133 1 1 . 1 1 56 56 ALA H H 56 9.101 9.101 8.557 0.544 25156 134 1 1 . 1 1 57 57 ALA N N 57 121.461 121.461 120.419 1.042 25156 135 1 1 . 1 1 57 57 ALA HA H 57 4.240 4.240 4.006 0.234 25156 136 1 1 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.686 0.114 25156 137 1 1 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.302 -1.002 25156 138 1 1 . 1 1 57 57 ALA H H 57 7.770 7.770 8.086 -0.316 25156 139 1 1 . 1 1 58 58 ASP N N 58 119.548 119.548 120.228 -0.680 25156 140 1 1 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.431 -0.041 25156 141 1 1 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.360 0.040 25156 142 1 1 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.858 -1.058 25156 143 1 1 . 1 1 58 58 ASP H H 58 8.443 8.443 7.962 0.481 25156 144 1 1 . 1 1 59 59 ASN N N 59 115.622 115.622 114.862 0.760 25156 145 1 1 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.664 -0.014 25156 146 1 1 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.912 0.088 25156 147 1 1 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.909 0.291 25156 148 1 1 . 1 1 59 59 ASN H H 59 7.500 7.500 7.523 -0.023 25156 149 1 1 . 1 1 60 60 ASN N N 60 116.019 116.019 117.852 -1.833 25156 150 1 1 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.326 0.004 25156 151 1 1 . 1 1 60 60 ASN CA C 60 54.300 54.300 53.940 0.360 25156 152 1 1 . 1 1 60 60 ASN CB C 60 36.700 36.700 37.296 -0.596 25156 153 1 1 . 1 1 60 60 ASN H H 60 7.930 7.930 7.733 0.197 25156 154 1 1 . 1 1 61 61 VAL N N 61 119.072 119.072 119.629 -0.557 25156 155 1 1 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.183 -0.223 25156 156 1 1 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.638 0.862 25156 157 1 1 . 1 1 61 61 VAL CB C 61 32.600 32.600 33.942 -1.342 25156 158 1 1 . 1 1 61 61 VAL H H 61 8.245 8.245 7.671 0.574 25156 159 1 1 . 1 1 62 62 ASN N N 62 125.564 125.564 124.802 0.762 25156 160 1 1 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.558 0.082 25156 161 1 1 . 1 1 62 62 ASN CA C 62 52.100 52.100 54.193 -2.093 25156 162 1 1 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.566 0.034 25156 163 1 1 . 1 1 62 62 ASN H H 62 8.524 8.524 8.621 -0.097 25156 164 1 1 . 1 1 63 63 PHE N N 63 125.711 125.711 127.369 -1.658 25156 165 1 1 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.374 -0.674 25156 166 1 1 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.303 -1.003 25156 167 1 1 . 1 1 63 63 PHE H H 63 8.904 8.904 8.507 0.397 25156 168 1 1 . 1 1 64 64 ALA N N 64 121.816 121.816 120.988 0.828 25156 169 1 1 . 1 1 64 64 ALA HA H 64 4.200 4.200 4.121 0.079 25156 170 1 1 . 1 1 64 64 ALA CA C 64 53.800 53.800 53.986 -0.186 25156 171 1 1 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.707 -0.007 25156 172 1 1 . 1 1 64 64 ALA H H 64 8.492 8.492 8.905 -0.413 25156 173 1 1 . 1 1 65 65 ALA N N 65 118.873 118.873 121.959 -3.086 25156 174 1 1 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.092 0.088 25156 175 1 1 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.172 -0.772 25156 176 1 1 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.154 0.346 25156 177 1 1 . 1 1 65 65 ALA H H 65 7.984 7.984 7.385 0.599 25156 178 1 1 . 1 1 66 66 PHE N N 66 115.587 115.587 115.631 -0.044 25156 179 1 1 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.016 0.044 25156 180 1 1 . 1 1 66 66 PHE CA C 66 60.700 60.700 61.263 -0.563 25156 181 1 1 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.595 -0.095 25156 182 1 1 . 1 1 66 66 PHE H H 66 7.795 7.795 7.756 0.039 25156 183 1 1 . 1 1 67 67 THR N N 67 109.477 109.477 109.314 0.163 25156 184 1 1 . 1 1 67 67 THR HA H 67 4.330 4.330 4.299 0.031 25156 185 1 1 . 1 1 67 67 THR CA C 67 61.900 61.900 62.523 -0.623 25156 186 1 1 . 1 1 67 67 THR CB C 67 69.000 69.000 70.627 -1.627 25156 187 1 1 . 1 1 67 67 THR H H 67 7.563 7.563 7.598 -0.035 25156 188 1 1 . 1 1 68 68 ASP N N 68 122.883 122.883 122.080 0.803 25156 189 1 1 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.287 0.363 25156 190 1 1 . 1 1 68 68 ASP CA C 68 54.600 54.600 56.405 -1.805 25156 191 1 1 . 1 1 68 68 ASP CB C 68 40.900 40.900 39.933 0.967 25156 192 1 1 . 1 1 68 68 ASP H H 68 7.969 7.969 8.741 -0.772 25156 193 1 1 . 1 1 69 69 SER N N 69 115.778 115.778 115.226 0.552 25156 194 1 1 . 1 1 69 69 SER HA H 69 4.410 4.410 4.651 -0.241 25156 195 1 1 . 1 1 69 69 SER CA C 69 58.500 58.500 57.673 0.827 25156 196 1 1 . 1 1 69 69 SER CB C 69 63.400 63.400 65.941 -2.541 25156 197 1 1 . 1 1 69 69 SER H H 69 8.277 8.277 8.117 0.160 25156 198 1 1 . 1 1 70 70 GLU N N 70 122.040 122.040 121.921 0.119 25156 199 1 1 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.331 0.029 25156 200 1 1 . 1 1 70 70 GLU CA C 70 56.600 56.600 57.067 -0.467 25156 201 1 1 . 1 1 70 70 GLU CB C 70 29.300 29.300 29.921 -0.621 25156 202 1 1 . 1 1 70 70 GLU H H 70 8.464 8.464 8.644 -0.180 25156 203 1 1 . 1 1 71 71 THR N N 71 113.162 113.162 121.971 -8.809 25156 204 1 1 . 1 1 71 71 THR HA H 71 4.320 4.320 4.366 -0.046 25156 205 1 1 . 1 1 71 71 THR CA C 71 61.900 61.900 62.271 -0.371 25156 206 1 1 . 1 1 71 71 THR CB C 71 69.200 69.200 68.769 0.431 25156 207 1 1 . 1 1 71 71 THR H H 71 8.060 8.060 8.327 -0.267 25156 208 1 1 . 1 1 72 72 GLY N N 72 111.140 111.140 114.233 -3.093 25156 209 1 1 . 1 1 72 72 GLY CA C 72 45.200 45.200 44.822 0.378 25156 210 1 1 . 1 1 72 72 GLY H H 72 8.412 8.412 8.124 0.288 25156 211 1 1 . 1 1 73 73 SER N N 73 115.757 115.757 118.773 -3.016 25156 212 1 1 . 1 1 73 73 SER HA H 73 4.410 4.410 4.504 -0.094 25156 213 1 1 . 1 1 73 73 SER CA C 73 58.400 58.400 58.507 -0.107 25156 214 1 1 . 1 1 73 73 SER CB C 73 63.400 63.400 63.777 -0.377 25156 215 1 1 . 1 1 73 73 SER H H 73 8.237 8.237 8.436 -0.199 25156 216 1 1 . 1 1 75 75 VAL N N 75 118.866 118.866 122.928 -4.062 25156 217 1 1 . 1 1 75 75 VAL HA H 75 4.150 4.150 3.835 0.315 25156 218 1 1 . 1 1 75 75 VAL CA C 75 61.900 61.900 63.672 -1.772 25156 219 1 1 . 1 1 75 75 VAL CB C 75 32.600 32.600 32.301 0.299 25156 220 1 1 . 1 1 75 75 VAL H H 75 7.997 7.997 8.360 -0.363 25156 221 1 1 . 1 1 76 76 SER N N 76 117.059 117.059 108.954 8.105 25156 222 1 1 . 1 1 76 76 SER HA H 76 4.280 4.280 3.973 0.307 25156 223 1 1 . 1 1 76 76 SER CA C 76 58.600 58.600 59.091 -0.491 25156 224 1 1 . 1 1 76 76 SER CB C 76 63.400 63.400 62.532 0.868 25156 225 1 1 . 1 1 76 76 SER H H 76 8.183 8.183 8.479 -0.296 25156 226 1 1 . 1 1 77 77 GLU N N 77 121.924 121.924 117.674 4.250 25156 227 1 1 . 1 1 77 77 GLU HA H 77 4.320 4.320 3.961 0.359 25156 228 1 1 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.700 -1.800 25156 229 1 1 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.587 0.113 25156 230 1 1 . 1 1 77 77 GLU H H 77 8.302 8.302 8.378 -0.076 25156 231 1 1 . 1 1 78 78 ASN N N 78 120.401 120.401 117.788 2.613 25156 232 1 1 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.657 0.103 25156 233 1 1 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.315 -0.415 25156 234 1 1 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.841 0.259 25156 235 1 1 . 1 1 78 78 ASN H H 78 8.308 8.308 7.929 0.379 25156 236 1 1 . 1 1 79 79 SER CA C 79 58.300 58.300 61.082 -2.782 25156 237 1 1 . 1 1 79 79 SER CB C 79 62.300 62.300 63.134 -0.834 25156 238 1 1 . 1 1 80 80 PHE N N 80 121.812 121.812 123.738 -1.926 25156 239 1 1 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.164 0.056 25156 240 1 1 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.731 -0.531 25156 241 1 1 . 1 1 80 80 PHE CB C 80 38.200 38.200 39.119 -0.919 25156 242 1 1 . 1 1 80 80 PHE H H 80 8.280 8.280 9.237 -0.957 25156 243 1 1 . 1 1 81 81 ILE N N 81 119.199 119.199 118.451 0.748 25156 244 1 1 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.945 0.285 25156 245 1 1 . 1 1 81 81 ILE CA C 81 63.600 63.600 64.000 -0.400 25156 246 1 1 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.575 0.125 25156 247 1 1 . 1 1 81 81 ILE H H 81 7.483 7.483 7.336 0.147 25156 248 1 1 . 1 1 82 82 LEU N N 82 117.108 117.108 119.088 -1.980 25156 249 1 1 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.866 0.254 25156 250 1 1 . 1 1 82 82 LEU CA C 82 57.600 57.600 58.090 -0.490 25156 251 1 1 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.151 1.549 25156 252 1 1 . 1 1 82 82 LEU H H 82 7.464 7.464 7.298 0.166 25156 253 1 1 . 1 1 83 83 GLU N N 83 117.300 117.300 119.241 -1.941 25156 254 1 1 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.913 -0.243 25156 255 1 1 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.018 -0.118 25156 256 1 1 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.461 -0.361 25156 257 1 1 . 1 1 83 83 GLU H H 83 8.093 8.093 8.745 -0.652 25156 258 1 1 . 1 1 84 84 ALA N N 84 122.149 122.149 121.478 0.671 25156 259 1 1 . 1 1 84 84 ALA HA H 84 3.850 3.850 3.910 -0.060 25156 260 1 1 . 1 1 84 84 ALA CA C 84 55.000 55.000 55.160 -0.161 25156 261 1 1 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.087 0.313 25156 262 1 1 . 1 1 84 84 ALA H H 84 8.431 8.431 8.329 0.102 25156 263 1 1 . 1 1 85 85 LYS N N 85 116.458 116.458 118.378 -1.920 25156 264 1 1 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.967 -0.007 25156 265 1 1 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.569 1.131 25156 266 1 1 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.433 -0.633 25156 267 1 1 . 1 1 85 85 LYS H H 85 8.122 8.122 7.719 0.403 25156 268 1 1 . 1 1 86 86 VAL N N 86 122.206 122.206 118.725 3.481 25156 269 1 1 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.661 -0.321 25156 270 1 1 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.333 1.267 25156 271 1 1 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.412 -0.012 25156 272 1 1 . 1 1 86 86 VAL H H 86 8.116 8.116 7.310 0.806 25156 273 1 1 . 1 1 87 87 ARG N N 87 122.354 122.354 119.590 2.764 25156 274 1 1 . 1 1 87 87 ARG HA H 87 4.030 4.030 3.947 0.083 25156 275 1 1 . 1 1 87 87 ARG CA C 87 59.400 59.400 59.845 -0.445 25156 276 1 1 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.751 1.049 25156 277 1 1 . 1 1 87 87 ARG H H 87 8.768 8.768 7.463 1.305 25156 278 1 1 . 1 1 88 88 ALA N N 88 119.659 119.659 118.510 1.149 25156 279 1 1 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.280 -0.380 25156 280 1 1 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.317 0.483 25156 281 1 1 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.378 -0.178 25156 282 1 1 . 1 1 88 88 ALA H H 88 8.789 8.789 7.602 1.187 25156 283 1 1 . 1 1 89 89 THR N N 89 105.646 105.646 115.670 -10.024 25156 284 1 1 . 1 1 89 89 THR HA H 89 4.310 4.310 4.173 0.137 25156 285 1 1 . 1 1 89 89 THR CA C 89 65.600 65.600 66.786 -1.186 25156 286 1 1 . 1 1 89 89 THR CB C 89 67.900 67.900 68.896 -0.996 25156 287 1 1 . 1 1 89 89 THR H H 89 8.063 8.063 7.384 0.679 25156 288 1 1 . 1 1 90 90 THR N N 90 120.262 120.262 118.839 1.423 25156 289 1 1 . 1 1 90 90 THR HA H 90 4.370 4.370 4.109 0.261 25156 290 1 1 . 1 1 90 90 THR CA C 90 67.000 67.000 66.469 0.531 25156 291 1 1 . 1 1 90 90 THR CB C 90 68.200 68.200 68.854 -0.654 25156 292 1 1 . 1 1 90 90 THR H H 90 8.021 8.021 8.415 -0.394 25156 293 1 1 . 1 1 91 91 VAL N N 91 119.100 119.100 119.877 -0.777 25156 294 1 1 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.752 0.268 25156 295 1 1 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.537 -0.237 25156 296 1 1 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.677 -0.777 25156 297 1 1 . 1 1 91 91 VAL H H 91 7.653 7.653 7.438 0.215 25156 298 1 1 . 1 1 92 92 ALA N N 92 124.800 124.800 121.866 2.934 25156 299 1 1 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.077 0.223 25156 300 1 1 . 1 1 92 92 ALA CA C 92 54.600 54.600 54.931 -0.331 25156 301 1 1 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.113 1.387 25156 302 1 1 . 1 1 92 92 ALA H H 92 8.189 8.189 7.468 0.721 25156 303 1 1 . 1 1 93 93 GLU N N 93 120.300 120.300 118.046 2.254 25156 304 1 1 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.966 -0.186 25156 305 1 1 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.660 0.540 25156 306 1 1 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.364 -0.664 25156 307 1 1 . 1 1 93 93 GLU H H 93 8.710 8.710 8.572 0.138 25156 308 1 1 . 1 1 94 94 LYS N N 94 119.247 119.247 119.168 0.079 25156 309 1 1 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.041 0.059 25156 310 1 1 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.118 0.382 25156 311 1 1 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.199 -0.699 25156 312 1 1 . 1 1 94 94 LYS H H 94 7.575 7.575 7.455 0.120 25156 313 1 1 . 1 1 95 95 PHE N N 95 121.711 121.711 121.030 0.681 25156 314 1 1 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.161 0.449 25156 315 1 1 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.735 -2.035 25156 316 1 1 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.161 -0.161 25156 317 1 1 . 1 1 95 95 PHE H H 95 7.467 7.467 7.900 -0.433 25156 318 1 1 . 1 1 96 96 VAL N N 96 119.674 119.674 119.201 0.473 25156 319 1 1 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.761 -0.631 25156 320 1 1 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.423 0.477 25156 321 1 1 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.060 -0.060 25156 322 1 1 . 1 1 96 96 VAL H H 96 8.186 8.186 7.713 0.473 25156 323 1 1 . 1 1 97 97 THR N N 97 117.086 117.086 114.801 2.285 25156 324 1 1 . 1 1 97 97 THR HA H 97 4.300 4.300 4.041 0.259 25156 325 1 1 . 1 1 97 97 THR CA C 97 65.600 65.600 65.962 -0.362 25156 326 1 1 . 1 1 97 97 THR CB C 97 68.300 68.300 68.629 -0.329 25156 327 1 1 . 1 1 97 97 THR H H 97 8.470 8.470 8.167 0.303 25156 328 1 1 . 1 1 98 98 ALA N N 98 126.429 126.429 124.181 2.248 25156 329 1 1 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.030 0.140 25156 330 1 1 . 1 1 98 98 ALA CA C 98 55.100 55.100 55.029 0.071 25156 331 1 1 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.844 -1.144 25156 332 1 1 . 1 1 98 98 ALA H H 98 7.842 7.842 8.037 -0.195 25156 333 1 1 . 1 1 99 99 ILE N N 99 121.241 121.241 119.528 1.713 25156 334 1 1 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.520 -0.040 25156 335 1 1 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.323 -1.323 25156 336 1 1 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.902 -2.702 25156 337 1 1 . 1 1 99 99 ILE H H 99 7.937 7.937 7.737 0.200 25156 338 1 1 . 1 1 100 100 GLU N N 100 118.069 118.069 118.602 -0.533 25156 339 1 1 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.957 -0.237 25156 340 1 1 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.996 0.004 25156 341 1 1 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.386 -0.086 25156 342 1 1 . 1 1 100 100 GLU H H 100 8.458 8.458 7.656 0.802 25156 343 1 1 . 1 1 101 101 GLY N N 101 107.210 107.210 107.278 -0.068 25156 344 1 1 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.910 0.990 25156 345 1 1 . 1 1 101 101 GLY H H 101 8.411 8.411 7.723 0.688 25156 346 1 1 . 1 1 102 102 GLU N N 102 121.134 121.134 122.210 -1.076 25156 347 1 1 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.817 0.363 25156 348 1 1 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.581 -0.781 25156 349 1 1 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.291 -0.591 25156 350 1 1 . 1 1 102 102 GLU H H 102 8.344 8.344 8.833 -0.489 25156 351 1 1 . 1 1 103 103 ALA N N 103 121.862 121.862 119.942 1.920 25156 352 1 1 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.880 0.171 25156 353 1 1 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.449 1.552 25156 354 1 1 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.524 -2.024 25156 355 1 1 . 1 1 103 103 ALA H H 103 9.325 9.325 7.435 1.890 25156 356 1 1 . 1 1 104 104 THR N N 104 110.782 110.782 112.648 -1.866 25156 357 1 1 . 1 1 104 104 THR HA H 104 4.330 4.330 3.839 0.491 25156 358 1 1 . 1 1 104 104 THR CA C 104 67.000 67.000 64.875 2.125 25156 359 1 1 . 1 1 104 104 THR CB C 104 68.100 68.100 67.442 0.658 25156 360 1 1 . 1 1 104 104 THR H H 104 7.796 7.796 8.151 -0.355 25156 361 1 1 . 1 1 105 105 LYS N N 105 123.041 123.041 119.693 3.348 25156 362 1 1 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.431 -0.381 25156 363 1 1 . 1 1 105 105 LYS CA C 105 59.200 59.200 57.172 2.028 25156 364 1 1 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.468 -1.268 25156 365 1 1 . 1 1 105 105 LYS H H 105 7.728 7.728 8.238 -0.510 25156 366 1 1 . 1 1 106 106 LEU N N 106 117.015 117.015 117.819 -0.804 25156 367 1 1 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.635 -0.125 25156 368 1 1 . 1 1 106 106 LEU CA C 106 54.200 54.200 56.292 -2.092 25156 369 1 1 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.131 -0.831 25156 370 1 1 . 1 1 106 106 LEU H H 106 7.768 7.768 7.591 0.177 25156 371 1 1 . 1 1 107 107 LYS N N 107 122.173 122.173 120.078 2.095 25156 372 1 1 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.931 -0.011 25156 373 1 1 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.313 1.587 25156 374 1 1 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.309 0.191 25156 375 1 1 . 1 1 107 107 LYS H H 107 7.452 7.452 8.413 -0.961 25156 376 1 1 . 1 1 108 108 LYS N N 108 114.243 114.243 114.778 -0.535 25156 377 1 1 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.463 0.137 25156 378 1 1 . 1 1 108 108 LYS CA C 108 56.800 56.800 56.430 0.370 25156 379 1 1 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.065 -0.265 25156 380 1 1 . 1 1 108 108 LYS H H 108 8.735 8.735 7.525 1.210 25156 381 1 1 . 1 1 109 109 THR N N 109 106.918 106.918 111.837 -4.919 25156 382 1 1 . 1 1 109 109 THR HA H 109 4.410 4.410 3.960 0.450 25156 383 1 1 . 1 1 109 109 THR CA C 109 61.500 61.500 59.917 1.583 25156 384 1 1 . 1 1 109 109 THR CB C 109 69.700 69.700 66.072 3.628 25156 385 1 1 . 1 1 109 109 THR H H 109 7.530 7.530 7.663 -0.133 25156 386 1 1 . 1 1 110 110 GLY N N 110 111.753 111.753 111.714 0.039 25156 387 1 1 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.698 -1.498 25156 388 1 1 . 1 1 110 110 GLY H H 110 9.066 9.066 7.764 1.302 25156 389 1 1 . 1 1 111 111 SER N N 111 118.638 118.638 114.448 4.190 25156 390 1 1 . 1 1 111 111 SER HA H 111 4.930 4.930 4.600 0.330 25156 391 1 1 . 1 1 111 111 SER CA C 111 56.600 56.600 56.855 -0.255 25156 392 1 1 . 1 1 111 111 SER CB C 111 66.400 66.400 64.380 2.020 25156 393 1 1 . 1 1 111 111 SER H H 111 8.709 8.709 7.978 0.731 25156 394 1 1 . 1 1 112 112 SER N N 112 116.928 116.928 117.960 -1.032 25156 395 1 1 . 1 1 112 112 SER CA C 112 61.200 61.200 60.458 0.742 25156 396 1 1 . 1 1 112 112 SER CB C 112 62.500 62.500 63.145 -0.645 25156 397 1 1 . 1 1 112 112 SER H H 112 9.082 9.082 8.831 0.251 25156 398 1 1 . 1 1 113 113 GLY CA C 113 46.300 46.300 45.873 0.427 25156 399 1 1 . 1 1 114 114 GLU N N 114 122.746 122.746 121.681 1.065 25156 400 1 1 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.121 -0.371 25156 401 1 1 . 1 1 114 114 GLU CA C 114 59.000 59.000 58.592 0.408 25156 402 1 1 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.199 -0.299 25156 403 1 1 . 1 1 114 114 GLU H H 114 7.628 7.628 7.848 -0.220 25156 404 1 1 . 1 1 115 115 PHE N N 115 118.328 118.328 118.155 0.173 25156 405 1 1 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.279 0.141 25156 406 1 1 . 1 1 115 115 PHE CA C 115 61.500 61.500 62.136 -0.636 25156 407 1 1 . 1 1 115 115 PHE CB C 115 36.900 36.900 38.526 -1.626 25156 408 1 1 . 1 1 115 115 PHE H H 115 7.102 7.102 7.877 -0.775 25156 409 1 1 . 1 1 116 116 SER N N 116 115.349 115.349 113.988 1.361 25156 410 1 1 . 1 1 116 116 SER HA H 116 4.510 4.510 4.495 0.015 25156 411 1 1 . 1 1 116 116 SER CA C 116 61.700 61.700 60.191 1.509 25156 412 1 1 . 1 1 116 116 SER CB C 116 62.800 62.800 62.955 -0.155 25156 413 1 1 . 1 1 116 116 SER H H 116 8.940 8.940 8.114 0.826 25156 414 1 1 . 1 1 117 117 ALA N N 117 122.730 122.730 125.022 -2.292 25156 415 1 1 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.057 0.213 25156 416 1 1 . 1 1 117 117 ALA CA C 117 54.800 54.800 55.224 -0.423 25156 417 1 1 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.033 -0.633 25156 418 1 1 . 1 1 117 117 ALA H H 117 7.501 7.501 8.009 -0.508 25156 419 1 1 . 1 1 118 118 MET N N 118 118.754 118.754 116.628 2.126 25156 420 1 1 . 1 1 118 118 MET HA H 118 3.950 3.950 4.158 -0.208 25156 421 1 1 . 1 1 118 118 MET CA C 118 60.300 60.300 59.364 0.936 25156 422 1 1 . 1 1 118 118 MET CB C 118 31.500 31.500 32.659 -1.159 25156 423 1 1 . 1 1 118 118 MET H H 118 7.812 7.812 7.648 0.164 25156 424 1 1 . 1 1 119 119 TYR N N 119 119.385 119.385 118.941 0.444 25156 425 1 1 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.263 0.087 25156 426 1 1 . 1 1 119 119 TYR CA C 119 61.300 61.300 60.684 0.616 25156 427 1 1 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.194 -0.994 25156 428 1 1 . 1 1 119 119 TYR H H 119 8.213 8.213 7.920 0.293 25156 429 1 1 . 1 1 120 120 ASN N N 120 116.665 116.665 119.024 -2.359 25156 430 1 1 . 1 1 120 120 ASN HA H 120 4.150 4.150 3.772 0.378 25156 431 1 1 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.723 0.477 25156 432 1 1 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.122 -0.622 25156 433 1 1 . 1 1 120 120 ASN H H 120 8.592 8.592 8.281 0.311 25156 434 1 1 . 1 1 121 121 MET N N 121 118.788 118.788 118.442 0.346 25156 435 1 1 . 1 1 121 121 MET HA H 121 4.250 4.250 4.040 0.210 25156 436 1 1 . 1 1 121 121 MET CA C 121 59.500 59.500 59.187 0.313 25156 437 1 1 . 1 1 121 121 MET CB C 121 33.800 33.800 32.464 1.336 25156 438 1 1 . 1 1 121 121 MET H H 121 7.900 7.900 7.443 0.457 25156 439 1 1 . 1 1 122 122 MET N N 122 118.670 118.670 120.058 -1.388 25156 440 1 1 . 1 1 122 122 MET HA H 122 3.950 3.950 3.847 0.103 25156 441 1 1 . 1 1 122 122 MET CA C 122 60.300 60.300 58.814 1.486 25156 442 1 1 . 1 1 122 122 MET CB C 122 33.400 33.400 32.589 0.811 25156 443 1 1 . 1 1 122 122 MET H H 122 7.813 7.813 7.434 0.379 25156 444 1 1 . 1 1 123 123 LEU N N 123 118.865 118.865 119.120 -0.255 25156 445 1 1 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.948 -0.038 25156 446 1 1 . 1 1 123 123 LEU CA C 123 57.500 57.500 58.560 -1.060 25156 447 1 1 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.492 0.008 25156 448 1 1 . 1 1 123 123 LEU H H 123 7.941 7.941 7.468 0.473 25156 449 1 1 . 1 1 124 124 GLU N N 124 121.088 121.088 118.854 2.234 25156 450 1 1 . 1 1 124 124 GLU HA H 124 3.950 3.950 3.978 -0.028 25156 451 1 1 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.249 0.051 25156 452 1 1 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.441 -0.441 25156 453 1 1 . 1 1 124 124 GLU H H 124 8.398 8.398 7.414 0.984 25156 454 1 1 . 1 1 125 125 VAL N N 125 112.092 112.092 119.063 -6.971 25156 455 1 1 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.648 0.352 25156 456 1 1 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.600 -2.500 25156 457 1 1 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.494 0.707 25156 458 1 1 . 1 1 125 125 VAL H H 125 7.682 7.682 8.430 -0.748 25156 459 1 1 . 1 1 126 126 SER N N 126 116.396 116.396 115.696 0.700 25156 460 1 1 . 1 1 126 126 SER CA C 126 63.300 63.300 60.863 2.437 25156 461 1 1 . 1 1 126 126 SER CB C 126 62.800 62.800 62.183 0.617 25156 462 1 1 . 1 1 126 126 SER H H 126 7.410 7.410 7.546 -0.136 25156 463 1 1 . 1 1 127 127 GLY N N 127 107.199 107.199 110.485 -3.286 25156 464 1 1 . 1 1 127 127 GLY CA C 127 48.100 48.100 46.625 1.475 25156 465 1 1 . 1 1 127 127 GLY H H 127 7.321 7.321 8.157 -0.836 25156 466 1 1 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.120 0.190 25156 467 1 1 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.682 -0.882 25156 468 1 1 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.420 0.580 25156 469 1 1 . 1 1 129 129 LEU N N 129 113.172 113.172 115.964 -2.792 25156 470 1 1 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.921 -0.021 25156 471 1 1 . 1 1 129 129 LEU CA C 129 57.400 57.400 58.614 -1.214 25156 472 1 1 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.257 -0.257 25156 473 1 1 . 1 1 129 129 LEU H H 129 6.913 6.913 7.777 -0.864 25156 474 1 1 . 1 1 130 130 GLU N N 130 121.331 121.331 119.270 2.061 25156 475 1 1 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.122 -0.002 25156 476 1 1 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.062 0.238 25156 477 1 1 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.378 -0.878 25156 478 1 1 . 1 1 130 130 GLU H H 130 8.203 8.203 7.923 0.280 25156 479 1 1 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.072 -0.102 25156 480 1 1 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.511 -0.011 25156 481 1 1 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.627 -0.426 25156 482 1 1 . 1 1 132 132 LEU N N 132 115.804 115.804 118.084 -2.280 25156 483 1 1 . 1 1 132 132 LEU HA H 132 3.910 3.910 3.463 0.447 25156 484 1 1 . 1 1 132 132 LEU CA C 132 53.100 53.100 56.138 -3.038 25156 485 1 1 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.510 -1.310 25156 486 1 1 . 1 1 132 132 LEU H H 132 6.977 6.977 7.663 -0.686 25156 487 1 1 . 1 1 133 133 GLY N N 133 105.653 105.653 103.482 2.171 25156 488 1 1 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.615 0.485 25156 489 1 1 . 1 1 133 133 GLY H H 133 7.484 7.484 7.648 -0.164 25156 490 1 1 . 1 1 134 134 VAL CA C 134 62.900 62.900 63.137 -0.237 25156 491 1 1 . 1 1 134 134 VAL CB C 134 31.800 31.800 31.950 -0.149 25156 492 1 1 . 1 1 137 137 MET CA C 137 58.100 58.100 55.185 2.915 25156 493 1 1 . 1 1 138 138 THR N N 138 115.359 115.359 118.527 -3.168 25156 494 1 1 . 1 1 138 138 THR CA C 138 67.100 67.100 65.789 1.311 25156 495 1 1 . 1 1 138 138 THR H H 138 9.225 9.225 8.534 0.691 25156 496 1 1 . 1 1 139 139 LYS N N 139 123.109 123.109 120.434 2.675 25156 497 1 1 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.073 0.127 25156 498 1 1 . 1 1 139 139 LYS CA C 139 57.900 57.900 60.318 -2.418 25156 499 1 1 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.134 -0.534 25156 500 1 1 . 1 1 139 139 LYS H H 139 8.172 8.172 8.347 -0.175 25156 501 1 1 . 1 1 140 140 THR N N 140 115.472 115.472 113.930 1.542 25156 502 1 1 . 1 1 140 140 THR HA H 140 4.000 4.000 4.107 -0.107 25156 503 1 1 . 1 1 140 140 THR CA C 140 67.000 67.000 65.698 1.302 25156 504 1 1 . 1 1 140 140 THR CB C 140 68.200 68.200 68.095 0.105 25156 505 1 1 . 1 1 140 140 THR H H 140 8.063 8.063 7.651 0.412 25156 506 1 1 . 1 1 141 141 VAL N N 141 121.319 121.319 121.740 -0.421 25156 507 1 1 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.606 0.024 25156 508 1 1 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.440 0.760 25156 509 1 1 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.575 -0.075 25156 510 1 1 . 1 1 141 141 VAL H H 141 7.753 7.753 7.433 0.320 25156 511 1 1 . 1 1 142 142 THR N N 142 114.753 114.753 116.043 -1.290 25156 512 1 1 . 1 1 142 142 THR HA H 142 4.380 4.380 4.160 0.220 25156 513 1 1 . 1 1 142 142 THR CA C 142 65.900 65.900 66.407 -0.507 25156 514 1 1 . 1 1 142 142 THR CB C 142 67.800 67.800 68.365 -0.565 25156 515 1 1 . 1 1 142 142 THR H H 142 8.965 8.965 8.345 0.620 25156 516 1 1 . 1 1 143 143 ASP N N 143 123.699 123.699 122.592 1.107 25156 517 1 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.426 -0.016 25156 518 1 1 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.033 -0.233 25156 519 1 1 . 1 1 143 143 ASP CB C 143 39.000 39.000 39.864 -0.864 25156 520 1 1 . 1 1 143 143 ASP H H 143 9.254 9.254 8.662 0.592 25156 521 1 1 . 1 1 144 144 ALA N N 144 122.856 122.856 122.377 0.479 25156 522 1 1 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.073 0.267 25156 523 1 1 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.925 -0.225 25156 524 1 1 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.399 0.801 25156 525 1 1 . 1 1 144 144 ALA H H 144 7.668 7.668 7.789 -0.121 25156 526 1 1 . 1 1 145 145 ALA N N 145 119.307 119.307 119.592 -0.285 25156 527 1 1 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.325 0.215 25156 528 1 1 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.316 -1.616 25156 529 1 1 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.414 -0.214 25156 530 1 1 . 1 1 145 145 ALA H H 145 7.718 7.718 7.617 0.101 25156 531 1 1 . 1 1 146 146 GLU N N 146 115.837 115.837 118.005 -2.168 25156 532 1 1 . 1 1 146 146 GLU HA H 146 4.190 4.190 3.989 0.201 25156 533 1 1 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.804 -1.504 25156 534 1 1 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.413 -0.312 25156 535 1 1 . 1 1 146 146 GLU H H 146 7.491 7.491 7.924 -0.433 25156 536 1 1 . 1 1 147 147 GLN N N 147 115.066 115.066 116.715 -1.649 25156 537 1 1 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.082 0.118 25156 538 1 1 . 1 1 147 147 GLN CA C 147 55.300 55.300 57.332 -2.032 25156 539 1 1 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.236 0.864 25156 540 1 1 . 1 1 147 147 GLN H H 147 7.248 7.248 7.475 -0.227 25156 541 1 1 . 1 1 148 148 HIS N N 148 119.398 119.398 118.140 1.258 25156 542 1 1 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.681 0.319 25156 543 1 1 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.388 -1.888 25156 544 1 1 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.289 2.311 25156 545 1 1 . 1 1 148 148 HIS H H 148 7.747 7.747 7.487 0.260 25156 546 1 1 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.208 0.262 25156 547 1 1 . 1 1 149 149 PRO CA C 149 62.300 62.300 66.074 -3.774 25156 548 1 1 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.292 0.008 25156 549 1 1 . 1 1 150 150 THR N N 150 108.042 108.042 106.941 1.101 25156 550 1 1 . 1 1 150 150 THR HA H 150 4.040 4.040 4.259 -0.219 25156 551 1 1 . 1 1 150 150 THR CA C 150 60.700 60.700 63.022 -2.322 25156 552 1 1 . 1 1 150 150 THR CB C 150 68.400 68.400 70.933 -2.533 25156 553 1 1 . 1 1 150 150 THR H H 150 7.864 7.864 8.180 -0.316 25156 554 1 1 . 1 1 151 151 THR N N 151 134.400 134.400 111.850 22.550 25156 555 1 1 . 1 1 151 151 THR HA H 151 4.550 4.550 4.387 0.163 25156 556 1 1 . 1 1 151 151 THR CA C 151 60.400 60.400 61.673 -1.273 25156 557 1 1 . 1 1 151 151 THR CB C 151 68.900 68.900 69.496 -0.596 25156 558 1 1 . 1 1 151 151 THR H H 151 6.900 6.900 7.514 -0.614 25156 559 1 1 . 1 1 152 152 THR N N 152 108.396 108.396 112.027 -3.631 25156 560 1 1 . 1 1 152 152 THR HA H 152 4.290 4.290 4.321 -0.031 25156 561 1 1 . 1 1 152 152 THR CA C 152 57.700 57.700 60.766 -3.066 25156 562 1 1 . 1 1 152 152 THR CB C 152 71.500 71.500 69.792 1.708 25156 563 1 1 . 1 1 152 152 THR H H 152 7.104 7.104 7.507 -0.403 25156 564 1 1 . 1 1 153 153 ALA N N 153 122.816 122.816 123.569 -0.753 25156 565 1 1 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.159 -1.129 25156 566 1 1 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.965 -1.265 25156 567 1 1 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.431 0.368 25156 568 1 1 . 1 1 153 153 ALA H H 153 7.580 7.580 8.309 -0.729 25156 569 1 1 . 1 1 154 154 GLU N N 154 113.788 113.788 118.376 -4.588 25156 570 1 1 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.171 -0.431 25156 571 1 1 . 1 1 154 154 GLU CA C 154 59.800 59.800 57.841 1.959 25156 572 1 1 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.402 -1.103 25156 573 1 1 . 1 1 154 154 GLU H H 154 8.544 8.544 8.580 -0.036 25156 574 1 1 . 1 1 155 155 GLY N N 155 108.136 108.136 109.598 -1.462 25156 575 1 1 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.124 -0.224 25156 576 1 1 . 1 1 155 155 GLY H H 155 7.973 7.973 7.905 0.068 25156 577 1 1 . 1 1 156 156 ILE N N 156 119.992 119.992 122.687 -2.695 25156 578 1 1 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.634 0.066 25156 579 1 1 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.332 -3.932 25156 580 1 1 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.950 -3.251 25156 581 1 1 . 1 1 156 156 ILE H H 156 7.688 7.688 8.591 -0.903 25156 582 1 1 . 1 1 157 157 LEU N N 157 118.638 118.638 119.011 -0.373 25156 583 1 1 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.947 -0.057 25156 584 1 1 . 1 1 157 157 LEU CA C 157 58.100 58.100 57.736 0.364 25156 585 1 1 . 1 1 157 157 LEU CB C 157 40.700 40.700 40.722 -0.022 25156 586 1 1 . 1 1 157 157 LEU H H 157 8.535 8.535 7.645 0.890 25156 587 1 1 . 1 1 158 158 GLU N N 158 119.400 119.400 118.761 0.639 25156 588 1 1 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.048 -0.088 25156 589 1 1 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.077 -0.877 25156 590 1 1 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.953 -2.853 25156 591 1 1 . 1 1 158 158 GLU H H 158 7.606 7.606 7.718 -0.112 25156 592 1 1 . 1 1 159 159 ILE N N 159 122.226 122.226 120.254 1.972 25156 593 1 1 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.515 -0.045 25156 594 1 1 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.611 1.389 25156 595 1 1 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.491 1.009 25156 596 1 1 . 1 1 159 159 ILE H H 159 8.285 8.285 8.546 -0.261 25156 597 1 1 . 1 1 160 160 ALA N N 160 121.722 121.722 122.622 -0.900 25156 598 1 1 . 1 1 160 160 ALA HA H 160 3.900 3.900 4.023 -0.123 25156 599 1 1 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.854 0.146 25156 600 1 1 . 1 1 160 160 ALA CB C 160 17.900 17.900 18.031 -0.131 25156 601 1 1 . 1 1 160 160 ALA H H 160 9.171 9.171 8.147 1.024 25156 602 1 1 . 1 1 161 161 LYS N N 161 117.720 117.720 118.160 -0.440 25156 603 1 1 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.980 -0.110 25156 604 1 1 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.130 0.370 25156 605 1 1 . 1 1 161 161 LYS CB C 161 31.600 31.600 31.961 -0.361 25156 606 1 1 . 1 1 161 161 LYS H H 161 7.661 7.661 7.779 -0.118 25156 607 1 1 . 1 1 162 162 ILE N N 162 122.241 122.241 119.805 2.436 25156 608 1 1 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.794 -0.084 25156 609 1 1 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.221 0.880 25156 610 1 1 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.011 0.089 25156 611 1 1 . 1 1 162 162 ILE H H 162 7.587 7.587 7.509 0.078 25156 612 1 1 . 1 1 163 163 MET N N 163 120.758 120.758 119.071 1.687 25156 613 1 1 . 1 1 163 163 MET HA H 163 3.790 3.790 3.954 -0.164 25156 614 1 1 . 1 1 163 163 MET CA C 163 60.200 60.200 59.318 0.882 25156 615 1 1 . 1 1 163 163 MET CB C 163 32.200 32.200 32.336 -0.136 25156 616 1 1 . 1 1 163 163 MET H H 163 8.581 8.581 7.429 1.152 25156 617 1 1 . 1 1 164 164 LYS N N 164 118.723 118.723 118.195 0.528 25156 618 1 1 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.944 -0.194 25156 619 1 1 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.560 0.740 25156 620 1 1 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.027 -0.227 25156 621 1 1 . 1 1 164 164 LYS H H 164 9.221 9.221 8.127 1.094 25156 622 1 1 . 1 1 165 165 THR N N 165 115.639 115.639 115.976 -0.337 25156 623 1 1 . 1 1 165 165 THR HA H 165 4.270 4.270 3.993 0.277 25156 624 1 1 . 1 1 165 165 THR CA C 165 66.400 66.400 67.070 -0.670 25156 625 1 1 . 1 1 165 165 THR CB C 165 68.200 68.200 68.497 -0.297 25156 626 1 1 . 1 1 165 165 THR H H 165 8.336 8.336 7.669 0.667 25156 627 1 1 . 1 1 166 166 LYS N N 166 121.525 121.525 122.740 -1.215 25156 628 1 1 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.084 0.086 25156 629 1 1 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.516 -0.716 25156 630 1 1 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.112 -1.512 25156 631 1 1 . 1 1 166 166 LYS H H 166 7.357 7.357 7.888 -0.531 25156 632 1 1 . 1 1 167 167 LEU N N 167 117.600 117.600 119.634 -2.034 25156 633 1 1 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.043 -0.153 25156 634 1 1 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.565 -0.465 25156 635 1 1 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.618 0.382 25156 636 1 1 . 1 1 167 167 LEU H H 167 8.090 8.090 7.629 0.461 25156 637 1 1 . 1 1 168 168 GLN N N 168 117.484 117.484 118.121 -0.637 25156 638 1 1 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.197 -0.087 25156 639 1 1 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.444 -0.144 25156 640 1 1 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.461 -0.861 25156 641 1 1 . 1 1 168 168 GLN H H 168 8.793 8.793 7.961 0.832 25156 642 1 1 . 1 1 169 169 ARG N N 169 121.344 121.344 120.777 0.567 25156 643 1 1 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.134 0.096 25156 644 1 1 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.569 -0.169 25156 645 1 1 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.347 -1.247 25156 646 1 1 . 1 1 169 169 ARG H H 169 8.051 8.051 8.294 -0.243 25156 647 1 1 . 1 1 170 170 VAL N N 170 120.397 120.397 119.296 1.101 25156 648 1 1 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.665 0.095 25156 649 1 1 . 1 1 170 170 VAL CA C 170 66.300 66.300 65.776 0.524 25156 650 1 1 . 1 1 170 170 VAL CB C 170 31.600 31.600 32.067 -0.467 25156 651 1 1 . 1 1 170 170 VAL H H 170 7.911 7.911 8.432 -0.521 25156 652 1 1 . 1 1 171 171 HIS N N 171 122.970 122.970 119.131 3.839 25156 653 1 1 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.481 -0.471 25156 654 1 1 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.019 0.281 25156 655 1 1 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.184 -0.584 25156 656 1 1 . 1 1 171 171 HIS H H 171 9.281 9.281 7.831 1.450 25156 657 1 1 . 1 1 172 172 THR N N 172 115.729 115.729 114.983 0.746 25156 658 1 1 . 1 1 172 172 THR HA H 172 4.360 4.360 4.192 0.168 25156 659 1 1 . 1 1 172 172 THR CA C 172 67.100 67.100 67.124 -0.023 25156 660 1 1 . 1 1 172 172 THR CB C 172 68.600 68.600 68.691 -0.091 25156 661 1 1 . 1 1 172 172 THR H H 172 8.977 8.977 8.584 0.393 25156 662 1 1 . 1 1 173 173 LYS N N 173 119.978 119.978 120.605 -0.627 25156 663 1 1 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.020 0.180 25156 664 1 1 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.689 -0.189 25156 665 1 1 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.528 -0.428 25156 666 1 1 . 1 1 173 173 LYS H H 173 7.959 7.959 7.775 0.184 25156 667 1 1 . 1 1 174 174 ASN N N 174 116.606 116.606 116.675 -0.069 25156 668 1 1 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.522 -0.072 25156 669 1 1 . 1 1 174 174 ASN CA C 174 57.500 57.500 54.724 2.776 25156 670 1 1 . 1 1 174 174 ASN CB C 174 40.000 40.000 37.897 2.103 25156 671 1 1 . 1 1 174 174 ASN H H 174 7.640 7.640 7.744 -0.104 25156 672 1 1 . 1 1 175 175 TYR N N 175 122.163 122.163 122.269 -0.106 25156 673 1 1 . 1 1 175 175 TYR HA H 175 4.030 4.030 3.964 0.066 25156 674 1 1 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.062 0.038 25156 675 1 1 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.252 -0.252 25156 676 1 1 . 1 1 175 175 TYR H H 175 9.079 9.079 8.171 0.908 25156 677 1 1 . 1 1 176 176 CYS N N 176 116.655 116.655 115.706 0.949 25156 678 1 1 . 1 1 176 176 CYS HA H 176 4.740 4.740 2.977 1.763 25156 679 1 1 . 1 1 176 176 CYS CA C 176 58.800 58.800 60.519 -1.719 25156 680 1 1 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.924 13.376 25156 681 1 1 . 1 1 176 176 CYS H H 176 8.799 8.799 7.654 1.145 25156 682 1 1 . 1 1 177 177 ALA N N 177 120.661 120.661 121.733 -1.072 25156 683 1 1 . 1 1 177 177 ALA HA H 177 4.080 4.080 3.778 0.302 25156 684 1 1 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.528 -0.028 25156 685 1 1 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.074 0.726 25156 686 1 1 . 1 1 177 177 ALA H H 177 7.337 7.337 7.995 -0.658 25156 687 1 1 . 1 1 178 178 LEU N N 178 120.820 120.820 119.388 1.432 25156 688 1 1 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.997 -0.147 25156 689 1 1 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.517 -0.017 25156 690 1 1 . 1 1 178 178 LEU CB C 178 41.700 41.700 41.269 0.431 25156 691 1 1 . 1 1 178 178 LEU H H 178 8.075 8.075 7.284 0.791 25156 692 1 1 . 1 1 179 179 GLU N N 179 117.503 117.503 116.178 1.325 25156 693 1 1 . 1 1 179 179 GLU HA H 179 3.510 3.510 4.057 -0.547 25156 694 1 1 . 1 1 179 179 GLU CA C 179 57.900 57.900 57.892 0.008 25156 695 1 1 . 1 1 179 179 GLU CB C 179 26.400 26.400 29.272 -2.872 25156 696 1 1 . 1 1 179 179 GLU H H 179 8.066 8.066 7.259 0.807 25156 697 1 1 . 1 1 180 180 LYS N N 180 118.823 118.823 120.815 -1.992 25156 698 1 1 . 1 1 180 180 LYS HA H 180 4.270 4.270 3.868 0.402 25156 699 1 1 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.138 -1.838 25156 700 1 1 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.273 -0.273 25156 701 1 1 . 1 1 180 180 LYS H H 180 7.424 7.424 7.412 0.012 25156 702 1 1 . 1 1 181 181 LYS N N 181 118.403 118.403 117.068 1.335 25156 703 1 1 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.053 -0.063 25156 704 1 1 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.575 -0.675 25156 705 1 1 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.450 -0.850 25156 706 1 1 . 1 1 181 181 LYS H H 181 7.381 7.381 7.557 -0.176 25156 707 1 1 . 1 1 182 182 LYS N N 182 116.472 116.472 117.369 -0.897 25156 708 1 1 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.089 -0.059 25156 709 1 1 . 1 1 182 182 LYS CA C 182 57.900 57.900 58.306 -0.406 25156 710 1 1 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.900 -0.200 25156 711 1 1 . 1 1 182 182 LYS H H 182 7.374 7.374 8.004 -0.630 25156 712 1 1 . 1 1 183 183 ASN N N 183 114.082 114.082 112.731 1.351 25156 713 1 1 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.035 0.015 25156 714 1 1 . 1 1 183 183 ASN CA C 183 49.700 49.700 52.145 -2.445 25156 715 1 1 . 1 1 183 183 ASN CB C 183 39.100 39.100 40.909 -1.809 25156 716 1 1 . 1 1 183 183 ASN H H 183 7.643 7.643 7.647 -0.004 25156 717 1 1 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.518 0.082 25156 718 1 1 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.440 -0.340 25156 719 1 1 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.922 -0.022 25156 720 1 1 . 1 1 185 185 ASN N N 185 114.209 114.209 114.615 -0.406 25156 721 1 1 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.589 0.231 25156 722 1 1 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.848 -1.248 25156 723 1 1 . 1 1 185 185 ASN CB C 185 38.300 38.300 38.279 0.021 25156 724 1 1 . 1 1 185 185 ASN H H 185 7.866 7.866 8.148 -0.282 25156 725 1 1 . 1 1 186 186 PHE N N 186 122.429 122.429 123.192 -0.763 25156 726 1 1 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.316 0.034 25156 727 1 1 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.604 -0.804 25156 728 1 1 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.513 0.087 25156 729 1 1 . 1 1 186 186 PHE H H 186 8.035 8.035 7.612 0.423 25156 730 1 1 . 1 1 187 187 THR N N 187 120.308 120.308 121.729 -1.421 25156 731 1 1 . 1 1 187 187 THR HA H 187 4.110 4.110 4.572 -0.462 25156 732 1 1 . 1 1 187 187 THR CA C 187 59.700 59.700 61.394 -1.694 25156 733 1 1 . 1 1 187 187 THR CB C 187 70.400 70.400 70.298 0.102 25156 734 1 1 . 1 1 187 187 THR H H 187 7.687 7.687 7.703 -0.016 25156 735 1 1 . 1 1 188 188 ASP N N 188 122.010 122.010 125.698 -3.688 25156 736 1 1 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.630 -0.250 25156 737 1 1 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.328 0.672 25156 738 1 1 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.071 2.929 25156 739 1 1 . 1 1 188 188 ASP H H 188 7.732 7.732 8.381 -0.649 25156 740 1 1 . 1 1 189 189 GLU N N 189 127.772 127.772 121.222 6.550 25156 741 1 1 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.155 -0.155 25156 742 1 1 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.361 0.539 25156 743 1 1 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.851 -0.951 25156 744 1 1 . 1 1 189 189 GLU H H 189 9.002 9.002 8.560 0.442 25156 745 1 1 . 1 1 190 190 LYS N N 190 117.753 117.753 118.002 -0.249 25156 746 1 1 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.153 0.077 25156 747 1 1 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.417 0.183 25156 748 1 1 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.651 -0.751 25156 749 1 1 . 1 1 190 190 LYS H H 190 9.144 9.144 8.290 0.854 25156 750 1 1 . 1 1 191 191 CYS N N 191 115.894 115.894 118.301 -2.407 25156 751 1 1 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.489 0.481 25156 752 1 1 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.608 -5.808 25156 753 1 1 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.065 11.235 25156 754 1 1 . 1 1 191 191 CYS H H 191 7.999 7.999 7.758 0.241 25156 755 1 1 . 1 1 192 192 LYS N N 192 121.894 121.894 125.933 -4.039 25156 756 1 1 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.419 -0.129 25156 757 1 1 . 1 1 192 192 LYS CA C 192 56.600 56.600 55.738 0.862 25156 758 1 1 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.853 -1.253 25156 759 1 1 . 1 1 192 192 LYS H H 192 7.718 7.718 8.373 -0.655 25156 760 1 1 . 1 1 193 193 ASN N N 193 118.976 118.976 122.240 -3.264 25156 761 1 1 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.637 0.153 25156 762 1 1 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.398 -0.398 25156 763 1 1 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.054 0.446 25156 764 1 1 . 1 1 193 193 ASN H H 193 8.497 8.497 8.513 -0.016 25156 765 1 2 . 1 1 30 30 LEU N N 30 118.365 118.365 122.071 -3.706 25156 766 1 2 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.543 -0.183 25156 767 1 2 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.857 -0.457 25156 768 1 2 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.970 0.230 25156 769 1 2 . 1 1 30 30 LEU H H 30 8.544 8.544 8.280 0.264 25156 770 1 2 . 1 1 31 31 LYS N N 31 119.962 119.962 122.368 -2.406 25156 771 1 2 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.520 0.140 25156 772 1 2 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.174 -0.674 25156 773 1 2 . 1 1 31 31 LYS CB C 31 35.700 35.700 35.157 0.543 25156 774 1 2 . 1 1 31 31 LYS H H 31 9.499 9.499 8.353 1.146 25156 775 1 2 . 1 1 32 32 GLY N N 32 107.471 107.471 110.502 -3.031 25156 776 1 2 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.739 1.161 25156 777 1 2 . 1 1 32 32 GLY H H 32 8.548 8.548 8.235 0.313 25156 778 1 2 . 1 1 33 33 GLU N N 33 124.823 124.823 119.391 5.432 25156 779 1 2 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.073 -0.063 25156 780 1 2 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.897 -0.497 25156 781 1 2 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.621 -0.821 25156 782 1 2 . 1 1 33 33 GLU H H 33 9.049 9.049 8.770 0.279 25156 783 1 2 . 1 1 34 34 THR N N 34 116.008 116.008 115.289 0.719 25156 784 1 2 . 1 1 34 34 THR HA H 34 4.150 4.150 4.015 0.135 25156 785 1 2 . 1 1 34 34 THR CA C 34 66.200 66.200 65.838 0.362 25156 786 1 2 . 1 1 34 34 THR CB C 34 68.500 68.500 68.283 0.217 25156 787 1 2 . 1 1 34 34 THR H H 34 7.772 7.772 8.498 -0.726 25156 788 1 2 . 1 1 35 35 LYS N N 35 119.081 119.081 121.040 -1.959 25156 789 1 2 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.145 -0.495 25156 790 1 2 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.249 0.151 25156 791 1 2 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.721 -0.421 25156 792 1 2 . 1 1 35 35 LYS H H 35 6.838 6.838 7.528 -0.690 25156 793 1 2 . 1 1 36 36 ILE N N 36 116.476 116.476 115.301 1.175 25156 794 1 2 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.134 -0.394 25156 795 1 2 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.783 1.017 25156 796 1 2 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.762 0.338 25156 797 1 2 . 1 1 36 36 ILE H H 36 7.020 7.020 7.346 -0.326 25156 798 1 2 . 1 1 37 37 ILE N N 37 119.272 119.272 122.812 -3.540 25156 799 1 2 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.616 0.074 25156 800 1 2 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.524 -1.024 25156 801 1 2 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.014 1.386 25156 802 1 2 . 1 1 37 37 ILE H H 37 8.507 8.507 8.805 -0.298 25156 803 1 2 . 1 1 38 38 LEU N N 38 118.624 118.624 119.935 -1.311 25156 804 1 2 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.112 0.158 25156 805 1 2 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.241 -0.641 25156 806 1 2 . 1 1 38 38 LEU CB C 38 40.100 40.100 40.446 -0.346 25156 807 1 2 . 1 1 38 38 LEU H H 38 8.363 8.363 8.160 0.203 25156 808 1 2 . 1 1 39 39 GLU N N 39 118.123 118.123 118.675 -0.552 25156 809 1 2 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.044 -0.044 25156 810 1 2 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.632 0.268 25156 811 1 2 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.021 -1.022 25156 812 1 2 . 1 1 39 39 GLU H H 39 8.663 8.663 7.684 0.979 25156 813 1 2 . 1 1 40 40 ARG N N 40 120.230 120.230 118.985 1.245 25156 814 1 2 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.034 0.156 25156 815 1 2 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.703 -1.204 25156 816 1 2 . 1 1 40 40 ARG CB C 40 29.500 29.500 30.033 -0.533 25156 817 1 2 . 1 1 40 40 ARG H H 40 7.977 7.977 8.894 -0.917 25156 818 1 2 . 1 1 41 41 SER N N 41 114.690 114.690 114.600 0.090 25156 819 1 2 . 1 1 41 41 SER HA H 41 4.210 4.210 4.264 -0.054 25156 820 1 2 . 1 1 41 41 SER CA C 41 61.900 61.900 61.556 0.344 25156 821 1 2 . 1 1 41 41 SER CB C 41 63.000 63.000 63.137 -0.137 25156 822 1 2 . 1 1 41 41 SER H H 41 7.975 7.975 7.727 0.248 25156 823 1 2 . 1 1 42 42 ALA N N 42 124.202 124.202 122.965 1.237 25156 824 1 2 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.132 -0.462 25156 825 1 2 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.369 0.331 25156 826 1 2 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.349 -1.149 25156 827 1 2 . 1 1 42 42 ALA H H 42 8.578 8.578 7.746 0.832 25156 828 1 2 . 1 1 43 43 LYS N N 43 121.324 121.324 120.061 1.263 25156 829 1 2 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.949 0.111 25156 830 1 2 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.798 -1.399 25156 831 1 2 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.343 -1.043 25156 832 1 2 . 1 1 43 43 LYS H H 43 7.958 7.958 8.089 -0.131 25156 833 1 2 . 1 1 44 44 ASP N N 44 118.176 118.176 119.632 -1.456 25156 834 1 2 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.397 -0.007 25156 835 1 2 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.358 -0.158 25156 836 1 2 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.342 -1.042 25156 837 1 2 . 1 1 44 44 ASP H H 44 8.111 8.111 7.778 0.333 25156 838 1 2 . 1 1 45 45 ILE N N 45 117.643 117.643 119.854 -2.211 25156 839 1 2 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.635 0.185 25156 840 1 2 . 1 1 45 45 ILE CA C 45 64.700 64.700 65.071 -0.371 25156 841 1 2 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.819 -0.219 25156 842 1 2 . 1 1 45 45 ILE H H 45 7.417 7.417 7.355 0.062 25156 843 1 2 . 1 1 46 46 THR N N 46 116.310 116.310 115.908 0.402 25156 844 1 2 . 1 1 46 46 THR HA H 46 4.160 4.160 3.821 0.339 25156 845 1 2 . 1 1 46 46 THR CA C 46 66.200 66.200 66.945 -0.745 25156 846 1 2 . 1 1 46 46 THR CB C 46 67.500 67.500 68.544 -1.044 25156 847 1 2 . 1 1 46 46 THR H H 46 7.702 7.702 7.961 -0.259 25156 848 1 2 . 1 1 47 47 ASP N N 47 121.550 121.550 121.082 0.468 25156 849 1 2 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.418 0.042 25156 850 1 2 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.920 0.079 25156 851 1 2 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.950 -1.550 25156 852 1 2 . 1 1 47 47 ASP H H 47 9.154 9.154 7.829 1.325 25156 853 1 2 . 1 1 48 48 GLU N N 48 122.105 122.105 119.582 2.523 25156 854 1 2 . 1 1 48 48 GLU HA H 48 4.270 4.270 3.991 0.279 25156 855 1 2 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.316 -0.816 25156 856 1 2 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.215 -0.215 25156 857 1 2 . 1 1 48 48 GLU H H 48 7.812 7.812 8.181 -0.369 25156 858 1 2 . 1 1 49 49 ILE N N 49 119.770 119.770 118.495 1.275 25156 859 1 2 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.776 -0.196 25156 860 1 2 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.868 1.832 25156 861 1 2 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.489 0.411 25156 862 1 2 . 1 1 49 49 ILE H H 49 8.655 8.655 7.557 1.098 25156 863 1 2 . 1 1 50 50 ASN N N 50 118.094 118.094 118.424 -0.330 25156 864 1 2 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.339 0.121 25156 865 1 2 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.405 -0.505 25156 866 1 2 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.313 -1.313 25156 867 1 2 . 1 1 50 50 ASN H H 50 8.399 8.399 7.772 0.627 25156 868 1 2 . 1 1 51 51 LYS N N 51 122.985 122.985 120.531 2.454 25156 869 1 2 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.062 0.038 25156 870 1 2 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.358 0.142 25156 871 1 2 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.258 -0.558 25156 872 1 2 . 1 1 51 51 LYS H H 51 7.949 7.949 7.710 0.239 25156 873 1 2 . 1 1 52 52 ILE N N 52 121.342 121.342 119.194 2.148 25156 874 1 2 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.969 -0.179 25156 875 1 2 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.520 2.280 25156 876 1 2 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.820 1.680 25156 877 1 2 . 1 1 52 52 ILE H H 52 8.584 8.584 7.698 0.886 25156 878 1 2 . 1 1 53 53 LYS N N 53 118.268 118.268 120.263 -1.995 25156 879 1 2 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.848 0.072 25156 880 1 2 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.710 0.690 25156 881 1 2 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.586 0.514 25156 882 1 2 . 1 1 53 53 LYS H H 53 8.548 8.548 7.840 0.708 25156 883 1 2 . 1 1 54 54 LYS N N 54 122.485 122.485 119.522 2.963 25156 884 1 2 . 1 1 54 54 LYS HA H 54 4.160 4.160 4.015 0.145 25156 885 1 2 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.654 -0.754 25156 886 1 2 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.224 -0.424 25156 887 1 2 . 1 1 54 54 LYS H H 54 7.855 7.855 7.604 0.251 25156 888 1 2 . 1 1 55 55 ASP N N 55 120.775 120.775 120.271 0.504 25156 889 1 2 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.452 -0.112 25156 890 1 2 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.166 -0.266 25156 891 1 2 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.383 -0.483 25156 892 1 2 . 1 1 55 55 ASP H H 55 8.813 8.813 7.710 1.103 25156 893 1 2 . 1 1 56 56 ALA N N 56 123.205 123.205 122.045 1.160 25156 894 1 2 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.303 -0.783 25156 895 1 2 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.239 -0.139 25156 896 1 2 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.831 -1.731 25156 897 1 2 . 1 1 56 56 ALA H H 56 9.101 9.101 8.757 0.344 25156 898 1 2 . 1 1 57 57 ALA N N 57 121.461 121.461 120.889 0.572 25156 899 1 2 . 1 1 57 57 ALA HA H 57 4.240 4.240 4.014 0.226 25156 900 1 2 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.807 -0.007 25156 901 1 2 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.519 -1.219 25156 902 1 2 . 1 1 57 57 ALA H H 57 7.770 7.770 8.569 -0.799 25156 903 1 2 . 1 1 58 58 ASP N N 58 119.548 119.548 118.261 1.287 25156 904 1 2 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.386 0.004 25156 905 1 2 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.518 -0.118 25156 906 1 2 . 1 1 58 58 ASP CB C 58 39.800 39.800 41.072 -1.272 25156 907 1 2 . 1 1 58 58 ASP H H 58 8.443 8.443 8.098 0.345 25156 908 1 2 . 1 1 59 59 ASN N N 59 115.622 115.622 116.639 -1.017 25156 909 1 2 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.509 0.141 25156 910 1 2 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.795 0.205 25156 911 1 2 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.583 0.617 25156 912 1 2 . 1 1 59 59 ASN H H 59 7.500 7.500 7.760 -0.260 25156 913 1 2 . 1 1 60 60 ASN N N 60 116.019 116.019 117.398 -1.379 25156 914 1 2 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.372 -0.042 25156 915 1 2 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.276 0.023 25156 916 1 2 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.713 -0.013 25156 917 1 2 . 1 1 60 60 ASN H H 60 7.930 7.930 7.407 0.523 25156 918 1 2 . 1 1 61 61 VAL N N 61 119.072 119.072 117.839 1.233 25156 919 1 2 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.211 -0.251 25156 920 1 2 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.740 0.760 25156 921 1 2 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.664 -2.064 25156 922 1 2 . 1 1 61 61 VAL H H 61 8.245 8.245 7.766 0.479 25156 923 1 2 . 1 1 62 62 ASN N N 62 125.564 125.564 120.916 4.648 25156 924 1 2 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.648 -0.008 25156 925 1 2 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.494 -1.394 25156 926 1 2 . 1 1 62 62 ASN CB C 62 38.600 38.600 37.575 1.025 25156 927 1 2 . 1 1 62 62 ASN H H 62 8.524 8.524 8.734 -0.210 25156 928 1 2 . 1 1 63 63 PHE N N 63 125.711 125.711 128.711 -3.000 25156 929 1 2 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.247 -0.547 25156 930 1 2 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.584 -1.284 25156 931 1 2 . 1 1 63 63 PHE H H 63 8.904 8.904 8.374 0.530 25156 932 1 2 . 1 1 64 64 ALA N N 64 121.816 121.816 121.145 0.671 25156 933 1 2 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.983 0.217 25156 934 1 2 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.175 -0.374 25156 935 1 2 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.530 0.170 25156 936 1 2 . 1 1 64 64 ALA H H 64 8.492 8.492 8.563 -0.071 25156 937 1 2 . 1 1 65 65 ALA N N 65 118.873 118.873 122.058 -3.185 25156 938 1 2 . 1 1 65 65 ALA HA H 65 4.180 4.180 3.893 0.287 25156 939 1 2 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.445 -1.045 25156 940 1 2 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.205 0.295 25156 941 1 2 . 1 1 65 65 ALA H H 65 7.984 7.984 7.403 0.581 25156 942 1 2 . 1 1 66 66 PHE N N 66 115.587 115.587 115.342 0.245 25156 943 1 2 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.026 0.034 25156 944 1 2 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.966 -0.266 25156 945 1 2 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.279 0.221 25156 946 1 2 . 1 1 66 66 PHE H H 66 7.795 7.795 7.768 0.027 25156 947 1 2 . 1 1 67 67 THR N N 67 109.477 109.477 110.863 -1.386 25156 948 1 2 . 1 1 67 67 THR HA H 67 4.330 4.330 4.071 0.259 25156 949 1 2 . 1 1 67 67 THR CA C 67 61.900 61.900 64.181 -2.281 25156 950 1 2 . 1 1 67 67 THR CB C 67 69.000 69.000 69.675 -0.675 25156 951 1 2 . 1 1 67 67 THR H H 67 7.563 7.563 7.581 -0.018 25156 952 1 2 . 1 1 68 68 ASP N N 68 122.883 122.883 118.752 4.131 25156 953 1 2 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.173 0.477 25156 954 1 2 . 1 1 68 68 ASP CA C 68 54.600 54.600 55.663 -1.062 25156 955 1 2 . 1 1 68 68 ASP CB C 68 40.900 40.900 38.456 2.444 25156 956 1 2 . 1 1 68 68 ASP H H 68 7.969 7.969 8.526 -0.557 25156 957 1 2 . 1 1 69 69 SER N N 69 115.778 115.778 114.963 0.815 25156 958 1 2 . 1 1 69 69 SER HA H 69 4.410 4.410 4.219 0.191 25156 959 1 2 . 1 1 69 69 SER CA C 69 58.500 58.500 60.765 -2.265 25156 960 1 2 . 1 1 69 69 SER CB C 69 63.400 63.400 63.916 -0.516 25156 961 1 2 . 1 1 69 69 SER H H 69 8.277 8.277 7.698 0.579 25156 962 1 2 . 1 1 70 70 GLU N N 70 122.040 122.040 119.034 3.006 25156 963 1 2 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.510 -0.150 25156 964 1 2 . 1 1 70 70 GLU CA C 70 56.600 56.600 56.077 0.523 25156 965 1 2 . 1 1 70 70 GLU CB C 70 29.300 29.300 30.492 -1.192 25156 966 1 2 . 1 1 70 70 GLU H H 70 8.464 8.464 8.382 0.082 25156 967 1 2 . 1 1 71 71 THR N N 71 113.162 113.162 111.732 1.430 25156 968 1 2 . 1 1 71 71 THR HA H 71 4.320 4.320 4.106 0.214 25156 969 1 2 . 1 1 71 71 THR CA C 71 61.900 61.900 61.901 -0.001 25156 970 1 2 . 1 1 71 71 THR CB C 71 69.200 69.200 69.075 0.125 25156 971 1 2 . 1 1 71 71 THR H H 71 8.060 8.060 8.183 -0.123 25156 972 1 2 . 1 1 72 72 GLY N N 72 111.140 111.140 111.249 -0.109 25156 973 1 2 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.236 -0.036 25156 974 1 2 . 1 1 72 72 GLY H H 72 8.412 8.412 8.542 -0.130 25156 975 1 2 . 1 1 73 73 SER N N 73 115.757 115.757 115.778 -0.021 25156 976 1 2 . 1 1 73 73 SER HA H 73 4.410 4.410 4.359 0.051 25156 977 1 2 . 1 1 73 73 SER CA C 73 58.400 58.400 58.370 0.030 25156 978 1 2 . 1 1 73 73 SER CB C 73 63.400 63.400 63.740 -0.340 25156 979 1 2 . 1 1 73 73 SER H H 73 8.237 8.237 7.669 0.568 25156 980 1 2 . 1 1 75 75 VAL N N 75 118.866 118.866 121.234 -2.368 25156 981 1 2 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.171 -0.021 25156 982 1 2 . 1 1 75 75 VAL CA C 75 61.900 61.900 60.333 1.567 25156 983 1 2 . 1 1 75 75 VAL CB C 75 32.600 32.600 35.413 -2.813 25156 984 1 2 . 1 1 75 75 VAL H H 75 7.997 7.997 7.801 0.196 25156 985 1 2 . 1 1 76 76 SER N N 76 117.059 117.059 118.491 -1.432 25156 986 1 2 . 1 1 76 76 SER HA H 76 4.280 4.280 4.179 0.101 25156 987 1 2 . 1 1 76 76 SER CA C 76 58.600 58.600 59.495 -0.895 25156 988 1 2 . 1 1 76 76 SER CB C 76 63.400 63.400 62.644 0.756 25156 989 1 2 . 1 1 76 76 SER H H 76 8.183 8.183 8.723 -0.540 25156 990 1 2 . 1 1 77 77 GLU N N 77 121.924 121.924 124.367 -2.443 25156 991 1 2 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.384 -0.064 25156 992 1 2 . 1 1 77 77 GLU CA C 77 55.900 55.900 56.407 -0.506 25156 993 1 2 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.829 -0.129 25156 994 1 2 . 1 1 77 77 GLU H H 77 8.302 8.302 7.980 0.322 25156 995 1 2 . 1 1 78 78 ASN N N 78 120.401 120.401 119.226 1.175 25156 996 1 2 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.738 0.022 25156 997 1 2 . 1 1 78 78 ASN CA C 78 52.900 52.900 52.620 0.280 25156 998 1 2 . 1 1 78 78 ASN CB C 78 39.100 39.100 39.917 -0.817 25156 999 1 2 . 1 1 78 78 ASN H H 78 8.308 8.308 8.222 0.086 25156 1000 1 2 . 1 1 79 79 SER CA C 79 58.300 58.300 60.897 -2.597 25156 1001 1 2 . 1 1 79 79 SER CB C 79 62.300 62.300 63.182 -0.882 25156 1002 1 2 . 1 1 80 80 PHE N N 80 121.812 121.812 124.209 -2.397 25156 1003 1 2 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.286 -0.066 25156 1004 1 2 . 1 1 80 80 PHE CA C 80 61.200 61.200 60.930 0.270 25156 1005 1 2 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.994 -0.794 25156 1006 1 2 . 1 1 80 80 PHE H H 80 8.280 8.280 8.424 -0.144 25156 1007 1 2 . 1 1 81 81 ILE N N 81 119.199 119.199 118.187 1.012 25156 1008 1 2 . 1 1 81 81 ILE HA H 81 3.230 3.230 3.005 0.225 25156 1009 1 2 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.864 -0.264 25156 1010 1 2 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.536 0.164 25156 1011 1 2 . 1 1 81 81 ILE H H 81 7.483 7.483 7.251 0.232 25156 1012 1 2 . 1 1 82 82 LEU N N 82 117.108 117.108 118.952 -1.844 25156 1013 1 2 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.945 0.175 25156 1014 1 2 . 1 1 82 82 LEU CA C 82 57.600 57.600 58.135 -0.535 25156 1015 1 2 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.275 1.425 25156 1016 1 2 . 1 1 82 82 LEU H H 82 7.464 7.464 7.388 0.076 25156 1017 1 2 . 1 1 83 83 GLU N N 83 117.300 117.300 119.586 -2.286 25156 1018 1 2 . 1 1 83 83 GLU HA H 83 3.670 3.670 4.047 -0.377 25156 1019 1 2 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.165 -0.265 25156 1020 1 2 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.881 -0.781 25156 1021 1 2 . 1 1 83 83 GLU H H 83 8.093 8.093 8.831 -0.738 25156 1022 1 2 . 1 1 84 84 ALA N N 84 122.149 122.149 121.004 1.145 25156 1023 1 2 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.289 -0.439 25156 1024 1 2 . 1 1 84 84 ALA CA C 84 55.000 55.000 53.999 1.001 25156 1025 1 2 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.533 -0.133 25156 1026 1 2 . 1 1 84 84 ALA H H 84 8.431 8.431 7.945 0.486 25156 1027 1 2 . 1 1 85 85 LYS N N 85 116.458 116.458 120.878 -4.420 25156 1028 1 2 . 1 1 85 85 LYS HA H 85 3.960 3.960 4.009 -0.049 25156 1029 1 2 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.432 1.268 25156 1030 1 2 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.583 -0.783 25156 1031 1 2 . 1 1 85 85 LYS H H 85 8.122 8.122 7.772 0.350 25156 1032 1 2 . 1 1 86 86 VAL N N 86 122.206 122.206 119.115 3.091 25156 1033 1 2 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.827 -0.487 25156 1034 1 2 . 1 1 86 86 VAL CA C 86 67.600 67.600 65.028 2.572 25156 1035 1 2 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.709 -0.309 25156 1036 1 2 . 1 1 86 86 VAL H H 86 8.116 8.116 7.585 0.531 25156 1037 1 2 . 1 1 87 87 ARG N N 87 122.354 122.354 118.997 3.357 25156 1038 1 2 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.053 -0.023 25156 1039 1 2 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.922 0.478 25156 1040 1 2 . 1 1 87 87 ARG CB C 87 30.800 30.800 28.997 1.803 25156 1041 1 2 . 1 1 87 87 ARG H H 87 8.768 8.768 7.881 0.887 25156 1042 1 2 . 1 1 88 88 ALA N N 88 119.659 119.659 119.554 0.105 25156 1043 1 2 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.100 -0.200 25156 1044 1 2 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.989 -0.189 25156 1045 1 2 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.129 0.071 25156 1046 1 2 . 1 1 88 88 ALA H H 88 8.789 8.789 7.669 1.120 25156 1047 1 2 . 1 1 89 89 THR N N 89 105.646 105.646 110.723 -5.077 25156 1048 1 2 . 1 1 89 89 THR HA H 89 4.310 4.310 4.107 0.203 25156 1049 1 2 . 1 1 89 89 THR CA C 89 65.600 65.600 65.550 0.050 25156 1050 1 2 . 1 1 89 89 THR CB C 89 67.900 67.900 68.220 -0.320 25156 1051 1 2 . 1 1 89 89 THR H H 89 8.063 8.063 7.760 0.303 25156 1052 1 2 . 1 1 90 90 THR N N 90 120.262 120.262 120.386 -0.124 25156 1053 1 2 . 1 1 90 90 THR HA H 90 4.370 4.370 4.042 0.328 25156 1054 1 2 . 1 1 90 90 THR CA C 90 67.000 67.000 67.560 -0.560 25156 1055 1 2 . 1 1 90 90 THR CB C 90 68.200 68.200 68.439 -0.239 25156 1056 1 2 . 1 1 90 90 THR H H 90 8.021 8.021 7.686 0.335 25156 1057 1 2 . 1 1 91 91 VAL N N 91 119.100 119.100 120.453 -1.353 25156 1058 1 2 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.815 0.205 25156 1059 1 2 . 1 1 91 91 VAL CA C 91 65.300 65.300 64.932 0.368 25156 1060 1 2 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.534 -0.634 25156 1061 1 2 . 1 1 91 91 VAL H H 91 7.653 7.653 7.331 0.322 25156 1062 1 2 . 1 1 92 92 ALA N N 92 124.800 124.800 121.472 3.328 25156 1063 1 2 . 1 1 92 92 ALA HA H 92 4.300 4.300 3.973 0.327 25156 1064 1 2 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.049 -0.449 25156 1065 1 2 . 1 1 92 92 ALA CB C 92 19.500 19.500 17.990 1.510 25156 1066 1 2 . 1 1 92 92 ALA H H 92 8.189 8.189 7.667 0.522 25156 1067 1 2 . 1 1 93 93 GLU N N 93 120.300 120.300 118.159 2.141 25156 1068 1 2 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.962 -0.182 25156 1069 1 2 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.597 0.603 25156 1070 1 2 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.405 -0.705 25156 1071 1 2 . 1 1 93 93 GLU H H 93 8.710 8.710 8.133 0.577 25156 1072 1 2 . 1 1 94 94 LYS N N 94 119.247 119.247 119.211 0.036 25156 1073 1 2 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.017 0.083 25156 1074 1 2 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.134 0.366 25156 1075 1 2 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.204 -0.704 25156 1076 1 2 . 1 1 94 94 LYS H H 94 7.575 7.575 7.540 0.035 25156 1077 1 2 . 1 1 95 95 PHE N N 95 121.711 121.711 121.385 0.326 25156 1078 1 2 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.160 0.450 25156 1079 1 2 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.710 -2.010 25156 1080 1 2 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.125 -0.125 25156 1081 1 2 . 1 1 95 95 PHE H H 95 7.467 7.467 7.599 -0.132 25156 1082 1 2 . 1 1 96 96 VAL N N 96 119.674 119.674 118.444 1.230 25156 1083 1 2 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.644 -0.514 25156 1084 1 2 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.582 0.318 25156 1085 1 2 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.023 -0.023 25156 1086 1 2 . 1 1 96 96 VAL H H 96 8.186 8.186 7.803 0.383 25156 1087 1 2 . 1 1 97 97 THR N N 97 117.086 117.086 115.591 1.495 25156 1088 1 2 . 1 1 97 97 THR HA H 97 4.300 4.300 3.994 0.306 25156 1089 1 2 . 1 1 97 97 THR CA C 97 65.600 65.600 66.632 -1.032 25156 1090 1 2 . 1 1 97 97 THR CB C 97 68.300 68.300 68.740 -0.440 25156 1091 1 2 . 1 1 97 97 THR H H 97 8.470 8.470 8.190 0.280 25156 1092 1 2 . 1 1 98 98 ALA N N 98 126.429 126.429 124.674 1.755 25156 1093 1 2 . 1 1 98 98 ALA HA H 98 4.170 4.170 3.933 0.237 25156 1094 1 2 . 1 1 98 98 ALA CA C 98 55.100 55.100 55.029 0.071 25156 1095 1 2 . 1 1 98 98 ALA CB C 98 16.700 16.700 18.053 -1.353 25156 1096 1 2 . 1 1 98 98 ALA H H 98 7.842 7.842 8.527 -0.685 25156 1097 1 2 . 1 1 99 99 ILE N N 99 121.241 121.241 118.261 2.980 25156 1098 1 2 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.689 -0.209 25156 1099 1 2 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.233 -1.233 25156 1100 1 2 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.702 -2.502 25156 1101 1 2 . 1 1 99 99 ILE H H 99 7.937 7.937 7.944 -0.007 25156 1102 1 2 . 1 1 100 100 GLU N N 100 118.069 118.069 118.015 0.054 25156 1103 1 2 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.987 -0.267 25156 1104 1 2 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.689 0.311 25156 1105 1 2 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.289 0.011 25156 1106 1 2 . 1 1 100 100 GLU H H 100 8.458 8.458 7.859 0.599 25156 1107 1 2 . 1 1 101 101 GLY N N 101 107.210 107.210 106.585 0.625 25156 1108 1 2 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.523 1.377 25156 1109 1 2 . 1 1 101 101 GLY H H 101 8.411 8.411 8.069 0.342 25156 1110 1 2 . 1 1 102 102 GLU N N 102 121.134 121.134 122.560 -1.426 25156 1111 1 2 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.932 0.248 25156 1112 1 2 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.513 -0.713 25156 1113 1 2 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.331 -0.631 25156 1114 1 2 . 1 1 102 102 GLU H H 102 8.344 8.344 8.645 -0.301 25156 1115 1 2 . 1 1 103 103 ALA N N 103 121.862 121.862 120.214 1.648 25156 1116 1 2 . 1 1 103 103 ALA HA H 103 4.050 4.050 4.015 0.035 25156 1117 1 2 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.866 1.134 25156 1118 1 2 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.458 -1.958 25156 1119 1 2 . 1 1 103 103 ALA H H 103 9.325 9.325 7.499 1.826 25156 1120 1 2 . 1 1 104 104 THR N N 104 110.782 110.782 112.511 -1.729 25156 1121 1 2 . 1 1 104 104 THR HA H 104 4.330 4.330 3.880 0.450 25156 1122 1 2 . 1 1 104 104 THR CA C 104 67.000 67.000 64.777 2.223 25156 1123 1 2 . 1 1 104 104 THR CB C 104 68.100 68.100 67.318 0.782 25156 1124 1 2 . 1 1 104 104 THR H H 104 7.796 7.796 7.772 0.024 25156 1125 1 2 . 1 1 105 105 LYS N N 105 123.041 123.041 120.367 2.674 25156 1126 1 2 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.293 -0.243 25156 1127 1 2 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.595 2.605 25156 1128 1 2 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.296 -1.096 25156 1129 1 2 . 1 1 105 105 LYS H H 105 7.728 7.728 8.363 -0.635 25156 1130 1 2 . 1 1 106 106 LEU N N 106 117.015 117.015 118.433 -1.418 25156 1131 1 2 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.837 -0.327 25156 1132 1 2 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.519 -1.319 25156 1133 1 2 . 1 1 106 106 LEU CB C 106 42.300 42.300 42.880 -0.580 25156 1134 1 2 . 1 1 106 106 LEU H H 106 7.768 7.768 7.801 -0.033 25156 1135 1 2 . 1 1 107 107 LYS N N 107 122.173 122.173 120.535 1.638 25156 1136 1 2 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.956 -0.036 25156 1137 1 2 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.508 1.392 25156 1138 1 2 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.205 0.295 25156 1139 1 2 . 1 1 107 107 LYS H H 107 7.452 7.452 8.355 -0.903 25156 1140 1 2 . 1 1 108 108 LYS N N 108 114.243 114.243 116.790 -2.547 25156 1141 1 2 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.359 0.241 25156 1142 1 2 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.809 -1.009 25156 1143 1 2 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.343 -0.543 25156 1144 1 2 . 1 1 108 108 LYS H H 108 8.735 8.735 7.611 1.124 25156 1145 1 2 . 1 1 109 109 THR N N 109 106.918 106.918 110.844 -3.926 25156 1146 1 2 . 1 1 109 109 THR HA H 109 4.410 4.410 4.488 -0.078 25156 1147 1 2 . 1 1 109 109 THR CA C 109 61.500 61.500 60.915 0.585 25156 1148 1 2 . 1 1 109 109 THR CB C 109 69.700 69.700 67.520 2.180 25156 1149 1 2 . 1 1 109 109 THR H H 109 7.530 7.530 7.787 -0.257 25156 1150 1 2 . 1 1 110 110 GLY N N 110 111.753 111.753 111.712 0.041 25156 1151 1 2 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.646 -1.446 25156 1152 1 2 . 1 1 110 110 GLY H H 110 9.066 9.066 8.032 1.034 25156 1153 1 2 . 1 1 111 111 SER N N 111 118.638 118.638 114.263 4.375 25156 1154 1 2 . 1 1 111 111 SER HA H 111 4.930 4.930 4.505 0.425 25156 1155 1 2 . 1 1 111 111 SER CA C 111 56.600 56.600 57.381 -0.781 25156 1156 1 2 . 1 1 111 111 SER CB C 111 66.400 66.400 65.203 1.197 25156 1157 1 2 . 1 1 111 111 SER H H 111 8.709 8.709 7.734 0.975 25156 1158 1 2 . 1 1 112 112 SER N N 112 116.928 116.928 117.426 -0.498 25156 1159 1 2 . 1 1 112 112 SER CA C 112 61.200 61.200 60.525 0.675 25156 1160 1 2 . 1 1 112 112 SER CB C 112 62.500 62.500 62.846 -0.346 25156 1161 1 2 . 1 1 112 112 SER H H 112 9.082 9.082 8.694 0.388 25156 1162 1 2 . 1 1 113 113 GLY CA C 113 46.300 46.300 45.687 0.613 25156 1163 1 2 . 1 1 114 114 GLU N N 114 122.746 122.746 123.827 -1.081 25156 1164 1 2 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.022 -0.272 25156 1165 1 2 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.535 -0.535 25156 1166 1 2 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.299 -0.399 25156 1167 1 2 . 1 1 114 114 GLU H H 114 7.628 7.628 8.249 -0.621 25156 1168 1 2 . 1 1 115 115 PHE N N 115 118.328 118.328 115.228 3.100 25156 1169 1 2 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.315 0.105 25156 1170 1 2 . 1 1 115 115 PHE CA C 115 61.500 61.500 59.576 1.924 25156 1171 1 2 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.760 -0.860 25156 1172 1 2 . 1 1 115 115 PHE H H 115 7.102 7.102 8.104 -1.002 25156 1173 1 2 . 1 1 116 116 SER N N 116 115.349 115.349 115.265 0.084 25156 1174 1 2 . 1 1 116 116 SER HA H 116 4.510 4.510 3.944 0.566 25156 1175 1 2 . 1 1 116 116 SER CA C 116 61.700 61.700 59.772 1.928 25156 1176 1 2 . 1 1 116 116 SER CB C 116 62.800 62.800 62.763 0.037 25156 1177 1 2 . 1 1 116 116 SER H H 116 8.940 8.940 7.698 1.242 25156 1178 1 2 . 1 1 117 117 ALA N N 117 122.730 122.730 124.499 -1.769 25156 1179 1 2 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.241 0.029 25156 1180 1 2 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.485 0.315 25156 1181 1 2 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.312 -0.912 25156 1182 1 2 . 1 1 117 117 ALA H H 117 7.501 7.501 8.189 -0.688 25156 1183 1 2 . 1 1 118 118 MET N N 118 118.754 118.754 117.520 1.234 25156 1184 1 2 . 1 1 118 118 MET HA H 118 3.950 3.950 4.053 -0.103 25156 1185 1 2 . 1 1 118 118 MET CA C 118 60.300 60.300 59.513 0.787 25156 1186 1 2 . 1 1 118 118 MET CB C 118 31.500 31.500 32.543 -1.043 25156 1187 1 2 . 1 1 118 118 MET H H 118 7.812 7.812 7.729 0.083 25156 1188 1 2 . 1 1 119 119 TYR N N 119 119.385 119.385 118.769 0.616 25156 1189 1 2 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.149 0.201 25156 1190 1 2 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.206 0.094 25156 1191 1 2 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.205 -1.005 25156 1192 1 2 . 1 1 119 119 TYR H H 119 8.213 8.213 8.193 0.020 25156 1193 1 2 . 1 1 120 120 ASN N N 120 116.665 116.665 116.942 -0.277 25156 1194 1 2 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.167 -0.017 25156 1195 1 2 . 1 1 120 120 ASN CA C 120 56.200 56.200 56.032 0.168 25156 1196 1 2 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.239 -0.739 25156 1197 1 2 . 1 1 120 120 ASN H H 120 8.592 8.592 7.839 0.753 25156 1198 1 2 . 1 1 121 121 MET N N 121 118.788 118.788 117.812 0.976 25156 1199 1 2 . 1 1 121 121 MET HA H 121 4.250 4.250 4.188 0.062 25156 1200 1 2 . 1 1 121 121 MET CA C 121 59.500 59.500 57.779 1.721 25156 1201 1 2 . 1 1 121 121 MET CB C 121 33.800 33.800 31.807 1.993 25156 1202 1 2 . 1 1 121 121 MET H H 121 7.900 7.900 7.383 0.517 25156 1203 1 2 . 1 1 122 122 MET N N 122 118.670 118.670 119.957 -1.287 25156 1204 1 2 . 1 1 122 122 MET HA H 122 3.950 3.950 4.105 -0.155 25156 1205 1 2 . 1 1 122 122 MET CA C 122 60.300 60.300 59.015 1.285 25156 1206 1 2 . 1 1 122 122 MET CB C 122 33.400 33.400 32.259 1.141 25156 1207 1 2 . 1 1 122 122 MET H H 122 7.813 7.813 7.912 -0.099 25156 1208 1 2 . 1 1 123 123 LEU N N 123 118.865 118.865 118.707 0.158 25156 1209 1 2 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.886 0.024 25156 1210 1 2 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.751 -0.251 25156 1211 1 2 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.672 -0.172 25156 1212 1 2 . 1 1 123 123 LEU H H 123 7.941 7.941 7.233 0.708 25156 1213 1 2 . 1 1 124 124 GLU N N 124 121.088 121.088 118.622 2.466 25156 1214 1 2 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.032 -0.082 25156 1215 1 2 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.167 0.133 25156 1216 1 2 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.841 -0.841 25156 1217 1 2 . 1 1 124 124 GLU H H 124 8.398 8.398 7.468 0.930 25156 1218 1 2 . 1 1 125 125 VAL N N 125 112.092 112.092 119.544 -7.452 25156 1219 1 2 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.594 0.406 25156 1220 1 2 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.783 -2.683 25156 1221 1 2 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.094 1.106 25156 1222 1 2 . 1 1 125 125 VAL H H 125 7.682 7.682 8.678 -0.996 25156 1223 1 2 . 1 1 126 126 SER N N 126 116.396 116.396 116.010 0.386 25156 1224 1 2 . 1 1 126 126 SER CA C 126 63.300 63.300 62.114 1.185 25156 1225 1 2 . 1 1 126 126 SER CB C 126 62.800 62.800 62.607 0.193 25156 1226 1 2 . 1 1 126 126 SER H H 126 7.410 7.410 7.626 -0.216 25156 1227 1 2 . 1 1 127 127 GLY N N 127 107.199 107.199 109.839 -2.640 25156 1228 1 2 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.923 0.177 25156 1229 1 2 . 1 1 127 127 GLY H H 127 7.321 7.321 8.043 -0.722 25156 1230 1 2 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.106 0.204 25156 1231 1 2 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.815 -1.015 25156 1232 1 2 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.336 0.664 25156 1233 1 2 . 1 1 129 129 LEU N N 129 113.172 113.172 116.358 -3.186 25156 1234 1 2 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.931 -0.031 25156 1235 1 2 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.286 0.114 25156 1236 1 2 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.555 -0.555 25156 1237 1 2 . 1 1 129 129 LEU H H 129 6.913 6.913 7.664 -0.751 25156 1238 1 2 . 1 1 130 130 GLU N N 130 121.331 121.331 120.039 1.292 25156 1239 1 2 . 1 1 130 130 GLU HA H 130 4.120 4.120 3.907 0.213 25156 1240 1 2 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.475 -0.175 25156 1241 1 2 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.391 -0.891 25156 1242 1 2 . 1 1 130 130 GLU H H 130 8.203 8.203 8.366 -0.163 25156 1243 1 2 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.155 -0.185 25156 1244 1 2 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.811 -0.311 25156 1245 1 2 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.753 -0.553 25156 1246 1 2 . 1 1 132 132 LEU N N 132 115.804 115.804 118.647 -2.843 25156 1247 1 2 . 1 1 132 132 LEU HA H 132 3.910 3.910 3.797 0.113 25156 1248 1 2 . 1 1 132 132 LEU CA C 132 53.100 53.100 53.535 -0.435 25156 1249 1 2 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.183 -0.983 25156 1250 1 2 . 1 1 132 132 LEU H H 132 6.977 6.977 7.484 -0.507 25156 1251 1 2 . 1 1 133 133 GLY N N 133 105.653 105.653 106.815 -1.162 25156 1252 1 2 . 1 1 133 133 GLY CA C 133 45.100 45.100 45.183 -0.083 25156 1253 1 2 . 1 1 133 133 GLY H H 133 7.484 7.484 7.374 0.110 25156 1254 1 2 . 1 1 134 134 VAL CA C 134 62.900 62.900 61.701 1.199 25156 1255 1 2 . 1 1 134 134 VAL CB C 134 31.800 31.800 32.392 -0.592 25156 1256 1 2 . 1 1 137 137 MET CA C 137 58.100 58.100 58.177 -0.077 25156 1257 1 2 . 1 1 138 138 THR N N 138 115.359 115.359 112.539 2.820 25156 1258 1 2 . 1 1 138 138 THR CA C 138 67.100 67.100 65.789 1.311 25156 1259 1 2 . 1 1 138 138 THR H H 138 9.225 9.225 8.336 0.889 25156 1260 1 2 . 1 1 139 139 LYS N N 139 123.109 123.109 120.232 2.877 25156 1261 1 2 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.090 0.110 25156 1262 1 2 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.311 -1.411 25156 1263 1 2 . 1 1 139 139 LYS CB C 139 31.600 31.600 31.509 0.090 25156 1264 1 2 . 1 1 139 139 LYS H H 139 8.172 8.172 7.744 0.428 25156 1265 1 2 . 1 1 140 140 THR N N 140 115.472 115.472 117.266 -1.794 25156 1266 1 2 . 1 1 140 140 THR HA H 140 4.000 4.000 4.133 -0.133 25156 1267 1 2 . 1 1 140 140 THR CA C 140 67.000 67.000 66.215 0.785 25156 1268 1 2 . 1 1 140 140 THR CB C 140 68.200 68.200 68.549 -0.349 25156 1269 1 2 . 1 1 140 140 THR H H 140 8.063 8.063 8.375 -0.312 25156 1270 1 2 . 1 1 141 141 VAL N N 141 121.319 121.319 120.852 0.467 25156 1271 1 2 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.771 -0.141 25156 1272 1 2 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.346 0.854 25156 1273 1 2 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.288 0.212 25156 1274 1 2 . 1 1 141 141 VAL H H 141 7.753 7.753 7.654 0.098 25156 1275 1 2 . 1 1 142 142 THR N N 142 114.753 114.753 117.168 -2.415 25156 1276 1 2 . 1 1 142 142 THR HA H 142 4.380 4.380 4.197 0.183 25156 1277 1 2 . 1 1 142 142 THR CA C 142 65.900 65.900 66.632 -0.732 25156 1278 1 2 . 1 1 142 142 THR CB C 142 67.800 67.800 68.610 -0.810 25156 1279 1 2 . 1 1 142 142 THR H H 142 8.965 8.965 7.895 1.070 25156 1280 1 2 . 1 1 143 143 ASP N N 143 123.699 123.699 121.268 2.431 25156 1281 1 2 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.421 -0.011 25156 1282 1 2 . 1 1 143 143 ASP CA C 143 56.800 56.800 56.851 -0.051 25156 1283 1 2 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.029 -1.029 25156 1284 1 2 . 1 1 143 143 ASP H H 143 9.254 9.254 8.485 0.769 25156 1285 1 2 . 1 1 144 144 ALA N N 144 122.856 122.856 121.557 1.299 25156 1286 1 2 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.078 0.262 25156 1287 1 2 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.700 0.000 25156 1288 1 2 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.642 0.558 25156 1289 1 2 . 1 1 144 144 ALA H H 144 7.668 7.668 7.537 0.131 25156 1290 1 2 . 1 1 145 145 ALA N N 145 119.307 119.307 119.068 0.239 25156 1291 1 2 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.198 0.342 25156 1292 1 2 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.090 -1.390 25156 1293 1 2 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.278 -0.078 25156 1294 1 2 . 1 1 145 145 ALA H H 145 7.718 7.718 7.582 0.136 25156 1295 1 2 . 1 1 146 146 GLU N N 146 115.837 115.837 117.848 -2.011 25156 1296 1 2 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.016 0.174 25156 1297 1 2 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.759 -1.459 25156 1298 1 2 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.385 -0.285 25156 1299 1 2 . 1 1 146 146 GLU H H 146 7.491 7.491 7.729 -0.238 25156 1300 1 2 . 1 1 147 147 GLN N N 147 115.066 115.066 116.434 -1.368 25156 1301 1 2 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.265 -0.065 25156 1302 1 2 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.486 -1.187 25156 1303 1 2 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.616 0.484 25156 1304 1 2 . 1 1 147 147 GLN H H 147 7.248 7.248 7.814 -0.566 25156 1305 1 2 . 1 1 148 148 HIS N N 148 119.398 119.398 119.320 0.078 25156 1306 1 2 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.541 0.459 25156 1307 1 2 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.045 -1.545 25156 1308 1 2 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.039 2.561 25156 1309 1 2 . 1 1 148 148 HIS H H 148 7.747 7.747 7.284 0.463 25156 1310 1 2 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.423 0.047 25156 1311 1 2 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.295 -0.995 25156 1312 1 2 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.302 -0.002 25156 1313 1 2 . 1 1 150 150 THR N N 150 108.042 108.042 119.975 -11.933 25156 1314 1 2 . 1 1 150 150 THR HA H 150 4.040 4.040 3.962 0.078 25156 1315 1 2 . 1 1 150 150 THR CA C 150 60.700 60.700 63.266 -2.566 25156 1316 1 2 . 1 1 150 150 THR CB C 150 68.400 68.400 67.594 0.806 25156 1317 1 2 . 1 1 150 150 THR H H 150 7.864 7.864 8.458 -0.594 25156 1318 1 2 . 1 1 151 151 THR N N 151 134.400 134.400 115.970 18.430 25156 1319 1 2 . 1 1 151 151 THR HA H 151 4.550 4.550 3.723 0.827 25156 1320 1 2 . 1 1 151 151 THR CA C 151 60.400 60.400 62.785 -2.385 25156 1321 1 2 . 1 1 151 151 THR CB C 151 68.900 68.900 67.004 1.896 25156 1322 1 2 . 1 1 151 151 THR H H 151 6.900 6.900 8.275 -1.375 25156 1323 1 2 . 1 1 152 152 THR N N 152 108.396 108.396 115.298 -6.902 25156 1324 1 2 . 1 1 152 152 THR HA H 152 4.290 4.290 4.361 -0.071 25156 1325 1 2 . 1 1 152 152 THR CA C 152 57.700 57.700 59.392 -1.692 25156 1326 1 2 . 1 1 152 152 THR CB C 152 71.500 71.500 71.296 0.204 25156 1327 1 2 . 1 1 152 152 THR H H 152 7.104 7.104 7.700 -0.596 25156 1328 1 2 . 1 1 153 153 ALA N N 153 122.816 122.816 122.616 0.200 25156 1329 1 2 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.227 -1.197 25156 1330 1 2 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.695 -0.995 25156 1331 1 2 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.239 0.561 25156 1332 1 2 . 1 1 153 153 ALA H H 153 7.580 7.580 8.995 -1.415 25156 1333 1 2 . 1 1 154 154 GLU N N 154 113.788 113.788 118.023 -4.235 25156 1334 1 2 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.221 -0.481 25156 1335 1 2 . 1 1 154 154 GLU CA C 154 59.800 59.800 57.995 1.804 25156 1336 1 2 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.260 -0.960 25156 1337 1 2 . 1 1 154 154 GLU H H 154 8.544 8.544 8.666 -0.122 25156 1338 1 2 . 1 1 155 155 GLY N N 155 108.136 108.136 109.411 -1.275 25156 1339 1 2 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.135 -0.235 25156 1340 1 2 . 1 1 155 155 GLY H H 155 7.973 7.973 7.716 0.257 25156 1341 1 2 . 1 1 156 156 ILE N N 156 119.992 119.992 122.710 -2.718 25156 1342 1 2 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.596 0.104 25156 1343 1 2 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.252 -3.852 25156 1344 1 2 . 1 1 156 156 ILE CB C 156 34.700 34.700 38.027 -3.327 25156 1345 1 2 . 1 1 156 156 ILE H H 156 7.688 7.688 8.422 -0.734 25156 1346 1 2 . 1 1 157 157 LEU N N 157 118.638 118.638 118.284 0.354 25156 1347 1 2 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.920 -0.030 25156 1348 1 2 . 1 1 157 157 LEU CA C 157 58.100 58.100 57.639 0.460 25156 1349 1 2 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.479 -0.779 25156 1350 1 2 . 1 1 157 157 LEU H H 157 8.535 8.535 7.381 1.154 25156 1351 1 2 . 1 1 158 158 GLU N N 158 119.400 119.400 117.483 1.917 25156 1352 1 2 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.185 -0.225 25156 1353 1 2 . 1 1 158 158 GLU CA C 158 58.200 58.200 58.306 -0.105 25156 1354 1 2 . 1 1 158 158 GLU CB C 158 27.100 27.100 30.271 -3.171 25156 1355 1 2 . 1 1 158 158 GLU H H 158 7.606 7.606 7.800 -0.194 25156 1356 1 2 . 1 1 159 159 ILE N N 159 122.226 122.226 120.720 1.506 25156 1357 1 2 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.569 -0.099 25156 1358 1 2 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.912 1.088 25156 1359 1 2 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.446 1.054 25156 1360 1 2 . 1 1 159 159 ILE H H 159 8.285 8.285 8.648 -0.363 25156 1361 1 2 . 1 1 160 160 ALA N N 160 121.722 121.722 122.724 -1.002 25156 1362 1 2 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.969 -0.069 25156 1363 1 2 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.876 0.124 25156 1364 1 2 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.908 -0.008 25156 1365 1 2 . 1 1 160 160 ALA H H 160 9.171 9.171 7.810 1.361 25156 1366 1 2 . 1 1 161 161 LYS N N 161 117.720 117.720 118.682 -0.962 25156 1367 1 2 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.941 -0.071 25156 1368 1 2 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.419 0.081 25156 1369 1 2 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.289 -0.689 25156 1370 1 2 . 1 1 161 161 LYS H H 161 7.661 7.661 8.091 -0.430 25156 1371 1 2 . 1 1 162 162 ILE N N 162 122.241 122.241 118.862 3.379 25156 1372 1 2 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.764 -0.054 25156 1373 1 2 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.288 0.812 25156 1374 1 2 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.082 0.018 25156 1375 1 2 . 1 1 162 162 ILE H H 162 7.587 7.587 7.562 0.025 25156 1376 1 2 . 1 1 163 163 MET N N 163 120.758 120.758 119.239 1.519 25156 1377 1 2 . 1 1 163 163 MET HA H 163 3.790 3.790 3.985 -0.195 25156 1378 1 2 . 1 1 163 163 MET CA C 163 60.200 60.200 59.368 0.832 25156 1379 1 2 . 1 1 163 163 MET CB C 163 32.200 32.200 32.407 -0.207 25156 1380 1 2 . 1 1 163 163 MET H H 163 8.581 8.581 7.430 1.151 25156 1381 1 2 . 1 1 164 164 LYS N N 164 118.723 118.723 117.469 1.254 25156 1382 1 2 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.910 -0.160 25156 1383 1 2 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.883 0.416 25156 1384 1 2 . 1 1 164 164 LYS CB C 164 31.800 31.800 31.928 -0.128 25156 1385 1 2 . 1 1 164 164 LYS H H 164 9.221 9.221 8.133 1.088 25156 1386 1 2 . 1 1 165 165 THR N N 165 115.639 115.639 115.325 0.314 25156 1387 1 2 . 1 1 165 165 THR HA H 165 4.270 4.270 4.033 0.237 25156 1388 1 2 . 1 1 165 165 THR CA C 165 66.400 66.400 66.205 0.195 25156 1389 1 2 . 1 1 165 165 THR CB C 165 68.200 68.200 68.532 -0.332 25156 1390 1 2 . 1 1 165 165 THR H H 165 8.336 8.336 7.609 0.727 25156 1391 1 2 . 1 1 166 166 LYS N N 166 121.525 121.525 122.364 -0.839 25156 1392 1 2 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.062 0.108 25156 1393 1 2 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.458 -0.658 25156 1394 1 2 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.131 -1.531 25156 1395 1 2 . 1 1 166 166 LYS H H 166 7.357 7.357 7.855 -0.498 25156 1396 1 2 . 1 1 167 167 LEU N N 167 117.600 117.600 118.563 -0.963 25156 1397 1 2 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.007 -0.117 25156 1398 1 2 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.727 -0.628 25156 1399 1 2 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.909 0.091 25156 1400 1 2 . 1 1 167 167 LEU H H 167 8.090 8.090 7.606 0.484 25156 1401 1 2 . 1 1 168 168 GLN N N 168 117.484 117.484 115.361 2.123 25156 1402 1 2 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.249 -0.139 25156 1403 1 2 . 1 1 168 168 GLN CA C 168 58.300 58.300 57.530 0.770 25156 1404 1 2 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.707 -1.107 25156 1405 1 2 . 1 1 168 168 GLN H H 168 8.793 8.793 7.823 0.970 25156 1406 1 2 . 1 1 169 169 ARG N N 169 121.344 121.344 120.808 0.536 25156 1407 1 2 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.222 0.008 25156 1408 1 2 . 1 1 169 169 ARG CA C 169 59.400 59.400 58.724 0.676 25156 1409 1 2 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.599 -1.499 25156 1410 1 2 . 1 1 169 169 ARG H H 169 8.051 8.051 7.288 0.763 25156 1411 1 2 . 1 1 170 170 VAL N N 170 120.397 120.397 117.572 2.825 25156 1412 1 2 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.792 -0.032 25156 1413 1 2 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.799 -0.499 25156 1414 1 2 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.388 0.212 25156 1415 1 2 . 1 1 170 170 VAL H H 170 7.911 7.911 7.898 0.013 25156 1416 1 2 . 1 1 171 171 HIS N N 171 122.970 122.970 119.645 3.325 25156 1417 1 2 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.326 -0.316 25156 1418 1 2 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.217 0.083 25156 1419 1 2 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.052 -0.452 25156 1420 1 2 . 1 1 171 171 HIS H H 171 9.281 9.281 7.736 1.545 25156 1421 1 2 . 1 1 172 172 THR N N 172 115.729 115.729 114.939 0.790 25156 1422 1 2 . 1 1 172 172 THR HA H 172 4.360 4.360 3.968 0.392 25156 1423 1 2 . 1 1 172 172 THR CA C 172 67.100 67.100 66.105 0.995 25156 1424 1 2 . 1 1 172 172 THR CB C 172 68.600 68.600 68.776 -0.176 25156 1425 1 2 . 1 1 172 172 THR H H 172 8.977 8.977 7.714 1.263 25156 1426 1 2 . 1 1 173 173 LYS N N 173 119.978 119.978 121.696 -1.718 25156 1427 1 2 . 1 1 173 173 LYS HA H 173 4.200 4.200 3.944 0.256 25156 1428 1 2 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.707 -0.207 25156 1429 1 2 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.578 -0.478 25156 1430 1 2 . 1 1 173 173 LYS H H 173 7.959 7.959 8.062 -0.103 25156 1431 1 2 . 1 1 174 174 ASN N N 174 116.606 116.606 118.159 -1.553 25156 1432 1 2 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.434 0.016 25156 1433 1 2 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.728 1.772 25156 1434 1 2 . 1 1 174 174 ASN CB C 174 40.000 40.000 37.585 2.415 25156 1435 1 2 . 1 1 174 174 ASN H H 174 7.640 7.640 7.813 -0.173 25156 1436 1 2 . 1 1 175 175 TYR N N 175 122.163 122.163 120.883 1.280 25156 1437 1 2 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.102 -0.072 25156 1438 1 2 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.582 -0.482 25156 1439 1 2 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.173 -0.173 25156 1440 1 2 . 1 1 175 175 TYR H H 175 9.079 9.079 7.916 1.163 25156 1441 1 2 . 1 1 176 176 CYS N N 176 116.655 116.655 116.539 0.116 25156 1442 1 2 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.466 0.274 25156 1443 1 2 . 1 1 176 176 CYS CA C 176 58.800 58.800 60.626 -1.826 25156 1444 1 2 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.938 13.362 25156 1445 1 2 . 1 1 176 176 CYS H H 176 8.799 8.799 7.464 1.335 25156 1446 1 2 . 1 1 177 177 ALA N N 177 120.661 120.661 121.869 -1.208 25156 1447 1 2 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.298 -0.218 25156 1448 1 2 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.529 -0.029 25156 1449 1 2 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.419 0.381 25156 1450 1 2 . 1 1 177 177 ALA H H 177 7.337 7.337 8.316 -0.979 25156 1451 1 2 . 1 1 178 178 LEU N N 178 120.820 120.820 120.237 0.583 25156 1452 1 2 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.878 -0.028 25156 1453 1 2 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.861 -0.361 25156 1454 1 2 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.550 1.150 25156 1455 1 2 . 1 1 178 178 LEU H H 178 8.075 8.075 7.297 0.778 25156 1456 1 2 . 1 1 179 179 GLU N N 179 117.503 117.503 118.079 -0.576 25156 1457 1 2 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.590 -0.080 25156 1458 1 2 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.859 -0.959 25156 1459 1 2 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.583 -2.183 25156 1460 1 2 . 1 1 179 179 GLU H H 179 8.066 8.066 7.239 0.827 25156 1461 1 2 . 1 1 180 180 LYS N N 180 118.823 118.823 119.263 -0.440 25156 1462 1 2 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.318 -0.048 25156 1463 1 2 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.033 -1.733 25156 1464 1 2 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.400 -0.400 25156 1465 1 2 . 1 1 180 180 LYS H H 180 7.424 7.424 7.654 -0.230 25156 1466 1 2 . 1 1 181 181 LYS N N 181 118.403 118.403 117.882 0.521 25156 1467 1 2 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.032 -0.042 25156 1468 1 2 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.852 -0.952 25156 1469 1 2 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.423 -0.823 25156 1470 1 2 . 1 1 181 181 LYS H H 181 7.381 7.381 7.681 -0.300 25156 1471 1 2 . 1 1 182 182 LYS N N 182 116.472 116.472 118.044 -1.572 25156 1472 1 2 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.096 -0.066 25156 1473 1 2 . 1 1 182 182 LYS CA C 182 57.900 57.900 57.821 0.079 25156 1474 1 2 . 1 1 182 182 LYS CB C 182 32.700 32.700 33.107 -0.407 25156 1475 1 2 . 1 1 182 182 LYS H H 182 7.374 7.374 7.530 -0.156 25156 1476 1 2 . 1 1 183 183 ASN N N 183 114.082 114.082 114.112 -0.030 25156 1477 1 2 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.080 -0.030 25156 1478 1 2 . 1 1 183 183 ASN CA C 183 49.700 49.700 50.430 -0.730 25156 1479 1 2 . 1 1 183 183 ASN CB C 183 39.100 39.100 37.914 1.186 25156 1480 1 2 . 1 1 183 183 ASN H H 183 7.643 7.643 7.792 -0.149 25156 1481 1 2 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.371 0.229 25156 1482 1 2 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.758 -0.658 25156 1483 1 2 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.732 0.168 25156 1484 1 2 . 1 1 185 185 ASN N N 185 114.209 114.209 113.829 0.380 25156 1485 1 2 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.664 0.156 25156 1486 1 2 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.101 -0.501 25156 1487 1 2 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.867 0.433 25156 1488 1 2 . 1 1 185 185 ASN H H 185 7.866 7.866 8.298 -0.432 25156 1489 1 2 . 1 1 186 186 PHE N N 186 122.429 122.429 122.144 0.285 25156 1490 1 2 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.364 -0.015 25156 1491 1 2 . 1 1 186 186 PHE CA C 186 58.800 58.800 58.649 0.151 25156 1492 1 2 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.113 0.487 25156 1493 1 2 . 1 1 186 186 PHE H H 186 8.035 8.035 7.860 0.175 25156 1494 1 2 . 1 1 187 187 THR N N 187 120.308 120.308 117.210 3.098 25156 1495 1 2 . 1 1 187 187 THR HA H 187 4.110 4.110 4.097 0.013 25156 1496 1 2 . 1 1 187 187 THR CA C 187 59.700 59.700 60.688 -0.988 25156 1497 1 2 . 1 1 187 187 THR CB C 187 70.400 70.400 71.322 -0.922 25156 1498 1 2 . 1 1 187 187 THR H H 187 7.687 7.687 8.023 -0.336 25156 1499 1 2 . 1 1 188 188 ASP N N 188 122.010 122.010 120.789 1.221 25156 1500 1 2 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.577 -0.197 25156 1501 1 2 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.354 0.646 25156 1502 1 2 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.351 2.649 25156 1503 1 2 . 1 1 188 188 ASP H H 188 7.732 7.732 7.911 -0.179 25156 1504 1 2 . 1 1 189 189 GLU N N 189 127.772 127.772 121.815 5.957 25156 1505 1 2 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.053 -0.053 25156 1506 1 2 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.525 0.375 25156 1507 1 2 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.815 -0.915 25156 1508 1 2 . 1 1 189 189 GLU H H 189 9.002 9.002 8.702 0.300 25156 1509 1 2 . 1 1 190 190 LYS N N 190 117.753 117.753 118.329 -0.576 25156 1510 1 2 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.154 0.076 25156 1511 1 2 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.222 0.378 25156 1512 1 2 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.760 -0.860 25156 1513 1 2 . 1 1 190 190 LYS H H 190 9.144 9.144 7.954 1.190 25156 1514 1 2 . 1 1 191 191 CYS N N 191 115.894 115.894 118.236 -2.342 25156 1515 1 2 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.546 0.424 25156 1516 1 2 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.823 -6.023 25156 1517 1 2 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.608 10.692 25156 1518 1 2 . 1 1 191 191 CYS H H 191 7.999 7.999 7.355 0.644 25156 1519 1 2 . 1 1 192 192 LYS N N 192 121.894 121.894 124.233 -2.339 25156 1520 1 2 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.107 0.183 25156 1521 1 2 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.779 -0.180 25156 1522 1 2 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.080 -0.480 25156 1523 1 2 . 1 1 192 192 LYS H H 192 7.718 7.718 8.455 -0.737 25156 1524 1 2 . 1 1 193 193 ASN N N 193 118.976 118.976 120.936 -1.960 25156 1525 1 2 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.642 0.148 25156 1526 1 2 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.605 -0.605 25156 1527 1 2 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.631 -0.131 25156 1528 1 2 . 1 1 193 193 ASN H H 193 8.497 8.497 8.527 -0.029 25156 1529 1 3 . 1 1 30 30 LEU N N 30 118.365 118.365 121.757 -3.392 25156 1530 1 3 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.703 -0.343 25156 1531 1 3 . 1 1 30 30 LEU CA C 30 54.400 54.400 55.028 -0.628 25156 1532 1 3 . 1 1 30 30 LEU CB C 30 43.200 43.200 43.059 0.141 25156 1533 1 3 . 1 1 30 30 LEU H H 30 8.544 8.544 7.920 0.624 25156 1534 1 3 . 1 1 31 31 LYS N N 31 119.962 119.962 121.079 -1.117 25156 1535 1 3 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.572 0.088 25156 1536 1 3 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.254 -0.754 25156 1537 1 3 . 1 1 31 31 LYS CB C 31 35.700 35.700 35.315 0.385 25156 1538 1 3 . 1 1 31 31 LYS H H 31 9.499 9.499 8.487 1.012 25156 1539 1 3 . 1 1 32 32 GLY N N 32 107.471 107.471 110.557 -3.086 25156 1540 1 3 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.749 1.151 25156 1541 1 3 . 1 1 32 32 GLY H H 32 8.548 8.548 8.240 0.308 25156 1542 1 3 . 1 1 33 33 GLU N N 33 124.823 124.823 119.118 5.705 25156 1543 1 3 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.061 -0.051 25156 1544 1 3 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.847 -0.447 25156 1545 1 3 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.608 -0.808 25156 1546 1 3 . 1 1 33 33 GLU H H 33 9.049 9.049 8.780 0.269 25156 1547 1 3 . 1 1 34 34 THR N N 34 116.008 116.008 115.470 0.538 25156 1548 1 3 . 1 1 34 34 THR HA H 34 4.150 4.150 4.026 0.124 25156 1549 1 3 . 1 1 34 34 THR CA C 34 66.200 66.200 65.885 0.315 25156 1550 1 3 . 1 1 34 34 THR CB C 34 68.500 68.500 68.334 0.166 25156 1551 1 3 . 1 1 34 34 THR H H 34 7.772 7.772 8.410 -0.638 25156 1552 1 3 . 1 1 35 35 LYS N N 35 119.081 119.081 121.166 -2.085 25156 1553 1 3 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.126 -0.476 25156 1554 1 3 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.374 0.026 25156 1555 1 3 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.770 -0.470 25156 1556 1 3 . 1 1 35 35 LYS H H 35 6.838 6.838 7.523 -0.685 25156 1557 1 3 . 1 1 36 36 ILE N N 36 116.476 116.476 114.787 1.689 25156 1558 1 3 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.146 -0.406 25156 1559 1 3 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.701 1.099 25156 1560 1 3 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.862 0.238 25156 1561 1 3 . 1 1 36 36 ILE H H 36 7.020 7.020 7.333 -0.313 25156 1562 1 3 . 1 1 37 37 ILE N N 37 119.272 119.272 122.858 -3.586 25156 1563 1 3 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.622 0.068 25156 1564 1 3 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.269 -0.769 25156 1565 1 3 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.114 1.286 25156 1566 1 3 . 1 1 37 37 ILE H H 37 8.507 8.507 8.771 -0.264 25156 1567 1 3 . 1 1 38 38 LEU N N 38 118.624 118.624 119.094 -0.470 25156 1568 1 3 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.050 0.220 25156 1569 1 3 . 1 1 38 38 LEU CA C 38 57.600 57.600 57.753 -0.153 25156 1570 1 3 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.634 -1.534 25156 1571 1 3 . 1 1 38 38 LEU H H 38 8.363 8.363 7.979 0.384 25156 1572 1 3 . 1 1 39 39 GLU N N 39 118.123 118.123 118.478 -0.355 25156 1573 1 3 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.003 -0.003 25156 1574 1 3 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.524 0.376 25156 1575 1 3 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.328 -1.328 25156 1576 1 3 . 1 1 39 39 GLU H H 39 8.663 8.663 8.275 0.388 25156 1577 1 3 . 1 1 40 40 ARG N N 40 120.230 120.230 118.642 1.588 25156 1578 1 3 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.001 0.189 25156 1579 1 3 . 1 1 40 40 ARG CA C 40 58.500 58.500 58.864 -0.364 25156 1580 1 3 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.805 -0.305 25156 1581 1 3 . 1 1 40 40 ARG H H 40 7.977 7.977 8.810 -0.833 25156 1582 1 3 . 1 1 41 41 SER N N 41 114.690 114.690 114.838 -0.148 25156 1583 1 3 . 1 1 41 41 SER HA H 41 4.210 4.210 4.298 -0.088 25156 1584 1 3 . 1 1 41 41 SER CA C 41 61.900 61.900 61.587 0.313 25156 1585 1 3 . 1 1 41 41 SER CB C 41 63.000 63.000 62.983 0.017 25156 1586 1 3 . 1 1 41 41 SER H H 41 7.975 7.975 7.764 0.211 25156 1587 1 3 . 1 1 42 42 ALA N N 42 124.202 124.202 123.836 0.366 25156 1588 1 3 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.411 -0.741 25156 1589 1 3 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.143 0.557 25156 1590 1 3 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.522 -1.322 25156 1591 1 3 . 1 1 42 42 ALA H H 42 8.578 8.578 7.796 0.782 25156 1592 1 3 . 1 1 43 43 LYS N N 43 121.324 121.324 120.258 1.066 25156 1593 1 3 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.978 0.082 25156 1594 1 3 . 1 1 43 43 LYS CA C 43 58.400 58.400 60.204 -1.804 25156 1595 1 3 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.279 -0.979 25156 1596 1 3 . 1 1 43 43 LYS H H 43 7.958 7.958 8.139 -0.181 25156 1597 1 3 . 1 1 44 44 ASP N N 44 118.176 118.176 119.542 -1.366 25156 1598 1 3 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.425 -0.035 25156 1599 1 3 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.095 0.105 25156 1600 1 3 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.527 -1.227 25156 1601 1 3 . 1 1 44 44 ASP H H 44 8.111 8.111 7.693 0.418 25156 1602 1 3 . 1 1 45 45 ILE N N 45 117.643 117.643 119.248 -1.605 25156 1603 1 3 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.631 0.189 25156 1604 1 3 . 1 1 45 45 ILE CA C 45 64.700 64.700 65.290 -0.590 25156 1605 1 3 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.950 -0.350 25156 1606 1 3 . 1 1 45 45 ILE H H 45 7.417 7.417 7.566 -0.149 25156 1607 1 3 . 1 1 46 46 THR N N 46 116.310 116.310 116.334 -0.024 25156 1608 1 3 . 1 1 46 46 THR HA H 46 4.160 4.160 3.880 0.280 25156 1609 1 3 . 1 1 46 46 THR CA C 46 66.200 66.200 67.165 -0.965 25156 1610 1 3 . 1 1 46 46 THR CB C 46 67.500 67.500 68.590 -1.090 25156 1611 1 3 . 1 1 46 46 THR H H 46 7.702 7.702 8.210 -0.508 25156 1612 1 3 . 1 1 47 47 ASP N N 47 121.550 121.550 120.359 1.191 25156 1613 1 3 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.557 -0.097 25156 1614 1 3 . 1 1 47 47 ASP CA C 47 57.000 57.000 57.321 -0.321 25156 1615 1 3 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.813 -1.413 25156 1616 1 3 . 1 1 47 47 ASP H H 47 9.154 9.154 8.264 0.890 25156 1617 1 3 . 1 1 48 48 GLU N N 48 122.105 122.105 121.378 0.727 25156 1618 1 3 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.071 0.199 25156 1619 1 3 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.328 -0.828 25156 1620 1 3 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.177 -0.177 25156 1621 1 3 . 1 1 48 48 GLU H H 48 7.812 7.812 8.054 -0.242 25156 1622 1 3 . 1 1 49 49 ILE N N 49 119.770 119.770 118.521 1.249 25156 1623 1 3 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.780 -0.200 25156 1624 1 3 . 1 1 49 49 ILE CA C 49 65.700 65.700 64.635 1.065 25156 1625 1 3 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.440 0.460 25156 1626 1 3 . 1 1 49 49 ILE H H 49 8.655 8.655 7.575 1.080 25156 1627 1 3 . 1 1 50 50 ASN N N 50 118.094 118.094 118.044 0.050 25156 1628 1 3 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.369 0.091 25156 1629 1 3 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.134 -0.234 25156 1630 1 3 . 1 1 50 50 ASN CB C 50 37.000 37.000 37.934 -0.934 25156 1631 1 3 . 1 1 50 50 ASN H H 50 8.399 8.399 7.915 0.484 25156 1632 1 3 . 1 1 51 51 LYS N N 51 122.985 122.985 121.028 1.957 25156 1633 1 3 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.024 0.076 25156 1634 1 3 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.741 -0.241 25156 1635 1 3 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.393 -0.693 25156 1636 1 3 . 1 1 51 51 LYS H H 51 7.949 7.949 7.674 0.275 25156 1637 1 3 . 1 1 52 52 ILE N N 52 121.342 121.342 118.933 2.409 25156 1638 1 3 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.891 -0.101 25156 1639 1 3 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.680 2.120 25156 1640 1 3 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.944 1.556 25156 1641 1 3 . 1 1 52 52 ILE H H 52 8.584 8.584 7.819 0.765 25156 1642 1 3 . 1 1 53 53 LYS N N 53 118.268 118.268 120.169 -1.901 25156 1643 1 3 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.255 0.665 25156 1644 1 3 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.927 0.473 25156 1645 1 3 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.803 0.297 25156 1646 1 3 . 1 1 53 53 LYS H H 53 8.548 8.548 7.802 0.746 25156 1647 1 3 . 1 1 54 54 LYS N N 54 122.485 122.485 119.346 3.139 25156 1648 1 3 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.881 0.279 25156 1649 1 3 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.719 -0.819 25156 1650 1 3 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.341 -0.541 25156 1651 1 3 . 1 1 54 54 LYS H H 54 7.855 7.855 8.248 -0.393 25156 1652 1 3 . 1 1 55 55 ASP N N 55 120.775 120.775 119.696 1.079 25156 1653 1 3 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.401 -0.061 25156 1654 1 3 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.056 -0.156 25156 1655 1 3 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.723 -0.823 25156 1656 1 3 . 1 1 55 55 ASP H H 55 8.813 8.813 8.134 0.679 25156 1657 1 3 . 1 1 56 56 ALA N N 56 123.205 123.205 121.578 1.627 25156 1658 1 3 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.202 -0.682 25156 1659 1 3 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.167 -0.067 25156 1660 1 3 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.514 -1.414 25156 1661 1 3 . 1 1 56 56 ALA H H 56 9.101 9.101 8.423 0.678 25156 1662 1 3 . 1 1 57 57 ALA N N 57 121.461 121.461 121.382 0.079 25156 1663 1 3 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.934 0.306 25156 1664 1 3 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.721 0.079 25156 1665 1 3 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.311 -1.012 25156 1666 1 3 . 1 1 57 57 ALA H H 57 7.770 7.770 7.896 -0.126 25156 1667 1 3 . 1 1 58 58 ASP N N 58 119.548 119.548 119.064 0.484 25156 1668 1 3 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.410 -0.020 25156 1669 1 3 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.556 -0.156 25156 1670 1 3 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.422 -0.622 25156 1671 1 3 . 1 1 58 58 ASP H H 58 8.443 8.443 8.260 0.183 25156 1672 1 3 . 1 1 59 59 ASN N N 59 115.622 115.622 116.399 -0.777 25156 1673 1 3 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.556 0.094 25156 1674 1 3 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.930 0.070 25156 1675 1 3 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.793 0.407 25156 1676 1 3 . 1 1 59 59 ASN H H 59 7.500 7.500 7.722 -0.222 25156 1677 1 3 . 1 1 60 60 ASN N N 60 116.019 116.019 116.191 -0.172 25156 1678 1 3 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.345 -0.015 25156 1679 1 3 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.078 0.222 25156 1680 1 3 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.853 -0.153 25156 1681 1 3 . 1 1 60 60 ASN H H 60 7.930 7.930 7.749 0.181 25156 1682 1 3 . 1 1 61 61 VAL N N 61 119.072 119.072 118.392 0.680 25156 1683 1 3 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.255 -0.295 25156 1684 1 3 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.278 1.222 25156 1685 1 3 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.907 -2.307 25156 1686 1 3 . 1 1 61 61 VAL H H 61 8.245 8.245 7.644 0.601 25156 1687 1 3 . 1 1 62 62 ASN N N 62 125.564 125.564 123.383 2.181 25156 1688 1 3 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.694 -0.054 25156 1689 1 3 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.706 -1.606 25156 1690 1 3 . 1 1 62 62 ASN CB C 62 38.600 38.600 37.718 0.882 25156 1691 1 3 . 1 1 62 62 ASN H H 62 8.524 8.524 8.781 -0.257 25156 1692 1 3 . 1 1 63 63 PHE N N 63 125.711 125.711 126.597 -0.886 25156 1693 1 3 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.102 -0.403 25156 1694 1 3 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.154 -0.854 25156 1695 1 3 . 1 1 63 63 PHE H H 63 8.904 8.904 8.327 0.577 25156 1696 1 3 . 1 1 64 64 ALA N N 64 121.816 121.816 121.644 0.172 25156 1697 1 3 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.807 0.393 25156 1698 1 3 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.504 -0.704 25156 1699 1 3 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.910 -0.210 25156 1700 1 3 . 1 1 64 64 ALA H H 64 8.492 8.492 8.730 -0.238 25156 1701 1 3 . 1 1 65 65 ALA N N 65 118.873 118.873 120.791 -1.918 25156 1702 1 3 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.105 0.075 25156 1703 1 3 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.946 -0.546 25156 1704 1 3 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.273 0.227 25156 1705 1 3 . 1 1 65 65 ALA H H 65 7.984 7.984 7.438 0.546 25156 1706 1 3 . 1 1 66 66 PHE N N 66 115.587 115.587 116.450 -0.863 25156 1707 1 3 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.012 0.048 25156 1708 1 3 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.240 0.460 25156 1709 1 3 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.477 0.022 25156 1710 1 3 . 1 1 66 66 PHE H H 66 7.795 7.795 8.244 -0.449 25156 1711 1 3 . 1 1 67 67 THR N N 67 109.477 109.477 108.886 0.591 25156 1712 1 3 . 1 1 67 67 THR HA H 67 4.330 4.330 4.240 0.090 25156 1713 1 3 . 1 1 67 67 THR CA C 67 61.900 61.900 62.598 -0.698 25156 1714 1 3 . 1 1 67 67 THR CB C 67 69.000 69.000 70.651 -1.651 25156 1715 1 3 . 1 1 67 67 THR H H 67 7.563 7.563 7.679 -0.116 25156 1716 1 3 . 1 1 68 68 ASP N N 68 122.883 122.883 121.782 1.101 25156 1717 1 3 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.300 0.350 25156 1718 1 3 . 1 1 68 68 ASP CA C 68 54.600 54.600 54.795 -0.195 25156 1719 1 3 . 1 1 68 68 ASP CB C 68 40.900 40.900 41.642 -0.741 25156 1720 1 3 . 1 1 68 68 ASP H H 68 7.969 7.969 7.809 0.160 25156 1721 1 3 . 1 1 69 69 SER N N 69 115.778 115.778 118.359 -2.581 25156 1722 1 3 . 1 1 69 69 SER HA H 69 4.410 4.410 4.339 0.071 25156 1723 1 3 . 1 1 69 69 SER CA C 69 58.500 58.500 58.685 -0.185 25156 1724 1 3 . 1 1 69 69 SER CB C 69 63.400 63.400 63.927 -0.527 25156 1725 1 3 . 1 1 69 69 SER H H 69 8.277 8.277 8.149 0.128 25156 1726 1 3 . 1 1 70 70 GLU N N 70 122.040 122.040 123.005 -0.965 25156 1727 1 3 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.195 0.165 25156 1728 1 3 . 1 1 70 70 GLU CA C 70 56.600 56.600 57.654 -1.054 25156 1729 1 3 . 1 1 70 70 GLU CB C 70 29.300 29.300 28.950 0.350 25156 1730 1 3 . 1 1 70 70 GLU H H 70 8.464 8.464 8.709 -0.245 25156 1731 1 3 . 1 1 71 71 THR N N 71 113.162 113.162 117.735 -4.573 25156 1732 1 3 . 1 1 71 71 THR HA H 71 4.320 4.320 4.398 -0.078 25156 1733 1 3 . 1 1 71 71 THR CA C 71 61.900 61.900 61.262 0.638 25156 1734 1 3 . 1 1 71 71 THR CB C 71 69.200 69.200 69.090 0.110 25156 1735 1 3 . 1 1 71 71 THR H H 71 8.060 8.060 8.110 -0.050 25156 1736 1 3 . 1 1 72 72 GLY N N 72 111.140 111.140 113.299 -2.159 25156 1737 1 3 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.130 0.070 25156 1738 1 3 . 1 1 72 72 GLY H H 72 8.412 8.412 8.656 -0.244 25156 1739 1 3 . 1 1 73 73 SER N N 73 115.757 115.757 113.330 2.427 25156 1740 1 3 . 1 1 73 73 SER HA H 73 4.410 4.410 4.065 0.345 25156 1741 1 3 . 1 1 73 73 SER CA C 73 58.400 58.400 59.339 -0.939 25156 1742 1 3 . 1 1 73 73 SER CB C 73 63.400 63.400 63.258 0.142 25156 1743 1 3 . 1 1 73 73 SER H H 73 8.237 8.237 8.110 0.127 25156 1744 1 3 . 1 1 75 75 VAL N N 75 118.866 118.866 122.140 -3.274 25156 1745 1 3 . 1 1 75 75 VAL HA H 75 4.150 4.150 3.838 0.312 25156 1746 1 3 . 1 1 75 75 VAL CA C 75 61.900 61.900 63.531 -1.631 25156 1747 1 3 . 1 1 75 75 VAL CB C 75 32.600 32.600 32.119 0.481 25156 1748 1 3 . 1 1 75 75 VAL H H 75 7.997 7.997 8.238 -0.241 25156 1749 1 3 . 1 1 76 76 SER N N 76 117.059 117.059 115.951 1.108 25156 1750 1 3 . 1 1 76 76 SER HA H 76 4.280 4.280 4.178 0.102 25156 1751 1 3 . 1 1 76 76 SER CA C 76 58.600 58.600 59.261 -0.662 25156 1752 1 3 . 1 1 76 76 SER CB C 76 63.400 63.400 61.919 1.481 25156 1753 1 3 . 1 1 76 76 SER H H 76 8.183 8.183 8.147 0.036 25156 1754 1 3 . 1 1 77 77 GLU N N 77 121.924 121.924 123.425 -1.501 25156 1755 1 3 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.070 0.250 25156 1756 1 3 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.654 -1.754 25156 1757 1 3 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.833 -0.133 25156 1758 1 3 . 1 1 77 77 GLU H H 77 8.302 8.302 8.148 0.154 25156 1759 1 3 . 1 1 78 78 ASN N N 78 120.401 120.401 118.358 2.043 25156 1760 1 3 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.763 -0.003 25156 1761 1 3 . 1 1 78 78 ASN CA C 78 52.900 52.900 52.862 0.038 25156 1762 1 3 . 1 1 78 78 ASN CB C 78 39.100 39.100 39.940 -0.840 25156 1763 1 3 . 1 1 78 78 ASN H H 78 8.308 8.308 8.106 0.202 25156 1764 1 3 . 1 1 79 79 SER CA C 79 58.300 58.300 60.691 -2.391 25156 1765 1 3 . 1 1 79 79 SER CB C 79 62.300 62.300 63.212 -0.912 25156 1766 1 3 . 1 1 80 80 PHE N N 80 121.812 121.812 123.388 -1.576 25156 1767 1 3 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.285 -0.065 25156 1768 1 3 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.269 -0.069 25156 1769 1 3 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.787 -0.587 25156 1770 1 3 . 1 1 80 80 PHE H H 80 8.280 8.280 8.370 -0.090 25156 1771 1 3 . 1 1 81 81 ILE N N 81 119.199 119.199 117.509 1.690 25156 1772 1 3 . 1 1 81 81 ILE HA H 81 3.230 3.230 3.106 0.124 25156 1773 1 3 . 1 1 81 81 ILE CA C 81 63.600 63.600 64.046 -0.446 25156 1774 1 3 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.785 -0.085 25156 1775 1 3 . 1 1 81 81 ILE H H 81 7.483 7.483 7.567 -0.084 25156 1776 1 3 . 1 1 82 82 LEU N N 82 117.108 117.108 118.306 -1.198 25156 1777 1 3 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.707 0.413 25156 1778 1 3 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.266 0.334 25156 1779 1 3 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.312 1.388 25156 1780 1 3 . 1 1 82 82 LEU H H 82 7.464 7.464 7.322 0.142 25156 1781 1 3 . 1 1 83 83 GLU N N 83 117.300 117.300 118.961 -1.661 25156 1782 1 3 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.870 -0.200 25156 1783 1 3 . 1 1 83 83 GLU CA C 83 58.900 58.900 58.904 -0.004 25156 1784 1 3 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.712 -0.612 25156 1785 1 3 . 1 1 83 83 GLU H H 83 8.093 8.093 8.616 -0.523 25156 1786 1 3 . 1 1 84 84 ALA N N 84 122.149 122.149 122.041 0.108 25156 1787 1 3 . 1 1 84 84 ALA HA H 84 3.850 3.850 3.902 -0.052 25156 1788 1 3 . 1 1 84 84 ALA CA C 84 55.000 55.000 55.025 -0.025 25156 1789 1 3 . 1 1 84 84 ALA CB C 84 18.400 18.400 17.983 0.417 25156 1790 1 3 . 1 1 84 84 ALA H H 84 8.431 8.431 8.069 0.362 25156 1791 1 3 . 1 1 85 85 LYS N N 85 116.458 116.458 117.911 -1.453 25156 1792 1 3 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.902 0.058 25156 1793 1 3 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.088 1.612 25156 1794 1 3 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.020 -0.221 25156 1795 1 3 . 1 1 85 85 LYS H H 85 8.122 8.122 7.162 0.960 25156 1796 1 3 . 1 1 86 86 VAL N N 86 122.206 122.206 119.105 3.101 25156 1797 1 3 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.607 -0.267 25156 1798 1 3 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.627 0.973 25156 1799 1 3 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.527 -0.127 25156 1800 1 3 . 1 1 86 86 VAL H H 86 8.116 8.116 7.664 0.452 25156 1801 1 3 . 1 1 87 87 ARG N N 87 122.354 122.354 119.273 3.081 25156 1802 1 3 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.079 -0.049 25156 1803 1 3 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.458 0.942 25156 1804 1 3 . 1 1 87 87 ARG CB C 87 30.800 30.800 28.921 1.879 25156 1805 1 3 . 1 1 87 87 ARG H H 87 8.768 8.768 7.622 1.146 25156 1806 1 3 . 1 1 88 88 ALA N N 88 119.659 119.659 120.607 -0.948 25156 1807 1 3 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.231 -0.331 25156 1808 1 3 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.687 0.113 25156 1809 1 3 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.462 -0.262 25156 1810 1 3 . 1 1 88 88 ALA H H 88 8.789 8.789 7.642 1.147 25156 1811 1 3 . 1 1 89 89 THR N N 89 105.646 105.646 116.172 -10.526 25156 1812 1 3 . 1 1 89 89 THR HA H 89 4.310 4.310 4.247 0.063 25156 1813 1 3 . 1 1 89 89 THR CA C 89 65.600 65.600 66.432 -0.832 25156 1814 1 3 . 1 1 89 89 THR CB C 89 67.900 67.900 68.732 -0.832 25156 1815 1 3 . 1 1 89 89 THR H H 89 8.063 8.063 8.169 -0.106 25156 1816 1 3 . 1 1 90 90 THR N N 90 120.262 120.262 120.110 0.152 25156 1817 1 3 . 1 1 90 90 THR HA H 90 4.370 4.370 4.237 0.133 25156 1818 1 3 . 1 1 90 90 THR CA C 90 67.000 67.000 67.409 -0.409 25156 1819 1 3 . 1 1 90 90 THR CB C 90 68.200 68.200 68.323 -0.123 25156 1820 1 3 . 1 1 90 90 THR H H 90 8.021 8.021 8.701 -0.680 25156 1821 1 3 . 1 1 91 91 VAL N N 91 119.100 119.100 120.312 -1.212 25156 1822 1 3 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.727 0.293 25156 1823 1 3 . 1 1 91 91 VAL CA C 91 65.300 65.300 66.113 -0.813 25156 1824 1 3 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.483 -0.583 25156 1825 1 3 . 1 1 91 91 VAL H H 91 7.653 7.653 7.525 0.128 25156 1826 1 3 . 1 1 92 92 ALA N N 92 124.800 124.800 121.638 3.162 25156 1827 1 3 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.071 0.229 25156 1828 1 3 . 1 1 92 92 ALA CA C 92 54.600 54.600 54.772 -0.172 25156 1829 1 3 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.320 1.180 25156 1830 1 3 . 1 1 92 92 ALA H H 92 8.189 8.189 7.426 0.763 25156 1831 1 3 . 1 1 93 93 GLU N N 93 120.300 120.300 118.128 2.172 25156 1832 1 3 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.894 -0.114 25156 1833 1 3 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.531 0.669 25156 1834 1 3 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.279 -0.579 25156 1835 1 3 . 1 1 93 93 GLU H H 93 8.710 8.710 8.673 0.037 25156 1836 1 3 . 1 1 94 94 LYS N N 94 119.247 119.247 119.176 0.071 25156 1837 1 3 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.049 0.051 25156 1838 1 3 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.066 0.434 25156 1839 1 3 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.199 -0.699 25156 1840 1 3 . 1 1 94 94 LYS H H 94 7.575 7.575 7.456 0.119 25156 1841 1 3 . 1 1 95 95 PHE N N 95 121.711 121.711 121.172 0.539 25156 1842 1 3 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.159 0.451 25156 1843 1 3 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.854 -2.154 25156 1844 1 3 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.078 -0.078 25156 1845 1 3 . 1 1 95 95 PHE H H 95 7.467 7.467 8.014 -0.547 25156 1846 1 3 . 1 1 96 96 VAL N N 96 119.674 119.674 118.954 0.720 25156 1847 1 3 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.783 -0.653 25156 1848 1 3 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.382 0.518 25156 1849 1 3 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.146 -0.146 25156 1850 1 3 . 1 1 96 96 VAL H H 96 8.186 8.186 7.592 0.594 25156 1851 1 3 . 1 1 97 97 THR N N 97 117.086 117.086 115.550 1.536 25156 1852 1 3 . 1 1 97 97 THR HA H 97 4.300 4.300 4.028 0.272 25156 1853 1 3 . 1 1 97 97 THR CA C 97 65.600 65.600 66.697 -1.097 25156 1854 1 3 . 1 1 97 97 THR CB C 97 68.300 68.300 68.635 -0.334 25156 1855 1 3 . 1 1 97 97 THR H H 97 8.470 8.470 7.800 0.670 25156 1856 1 3 . 1 1 98 98 ALA N N 98 126.429 126.429 124.581 1.848 25156 1857 1 3 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.038 0.132 25156 1858 1 3 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.974 0.126 25156 1859 1 3 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.816 -1.116 25156 1860 1 3 . 1 1 98 98 ALA H H 98 7.842 7.842 8.399 -0.557 25156 1861 1 3 . 1 1 99 99 ILE N N 99 121.241 121.241 119.696 1.545 25156 1862 1 3 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.561 -0.081 25156 1863 1 3 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.401 -1.401 25156 1864 1 3 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.935 -2.736 25156 1865 1 3 . 1 1 99 99 ILE H H 99 7.937 7.937 7.890 0.047 25156 1866 1 3 . 1 1 100 100 GLU N N 100 118.069 118.069 118.655 -0.586 25156 1867 1 3 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.958 -0.238 25156 1868 1 3 . 1 1 100 100 GLU CA C 100 59.000 59.000 59.009 -0.009 25156 1869 1 3 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.326 -0.026 25156 1870 1 3 . 1 1 100 100 GLU H H 100 8.458 8.458 7.833 0.625 25156 1871 1 3 . 1 1 101 101 GLY N N 101 107.210 107.210 107.256 -0.046 25156 1872 1 3 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.573 1.327 25156 1873 1 3 . 1 1 101 101 GLY H H 101 8.411 8.411 7.285 1.126 25156 1874 1 3 . 1 1 102 102 GLU N N 102 121.134 121.134 122.934 -1.800 25156 1875 1 3 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.847 0.333 25156 1876 1 3 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.975 -1.175 25156 1877 1 3 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.375 -0.675 25156 1878 1 3 . 1 1 102 102 GLU H H 102 8.344 8.344 8.880 -0.536 25156 1879 1 3 . 1 1 103 103 ALA N N 103 121.862 121.862 121.525 0.337 25156 1880 1 3 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.943 0.107 25156 1881 1 3 . 1 1 103 103 ALA CA C 103 56.000 56.000 55.164 0.836 25156 1882 1 3 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.481 -1.981 25156 1883 1 3 . 1 1 103 103 ALA H H 103 9.325 9.325 7.775 1.550 25156 1884 1 3 . 1 1 104 104 THR N N 104 110.782 110.782 112.344 -1.562 25156 1885 1 3 . 1 1 104 104 THR HA H 104 4.330 4.330 3.799 0.531 25156 1886 1 3 . 1 1 104 104 THR CA C 104 67.000 67.000 64.934 2.066 25156 1887 1 3 . 1 1 104 104 THR CB C 104 68.100 68.100 67.347 0.753 25156 1888 1 3 . 1 1 104 104 THR H H 104 7.796 7.796 8.049 -0.253 25156 1889 1 3 . 1 1 105 105 LYS N N 105 123.041 123.041 119.864 3.177 25156 1890 1 3 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.251 -0.201 25156 1891 1 3 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.723 2.477 25156 1892 1 3 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.671 -1.471 25156 1893 1 3 . 1 1 105 105 LYS H H 105 7.728 7.728 8.473 -0.745 25156 1894 1 3 . 1 1 106 106 LEU N N 106 117.015 117.015 117.836 -0.821 25156 1895 1 3 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.808 -0.298 25156 1896 1 3 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.853 -1.653 25156 1897 1 3 . 1 1 106 106 LEU CB C 106 42.300 42.300 42.819 -0.519 25156 1898 1 3 . 1 1 106 106 LEU H H 106 7.768 7.768 7.792 -0.024 25156 1899 1 3 . 1 1 107 107 LYS N N 107 122.173 122.173 120.011 2.162 25156 1900 1 3 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.829 0.091 25156 1901 1 3 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.932 0.968 25156 1902 1 3 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.300 0.201 25156 1903 1 3 . 1 1 107 107 LYS H H 107 7.452 7.452 8.322 -0.870 25156 1904 1 3 . 1 1 108 108 LYS N N 108 114.243 114.243 115.926 -1.683 25156 1905 1 3 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.473 0.127 25156 1906 1 3 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.154 -0.354 25156 1907 1 3 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.679 0.121 25156 1908 1 3 . 1 1 108 108 LYS H H 108 8.735 8.735 7.550 1.185 25156 1909 1 3 . 1 1 109 109 THR N N 109 106.918 106.918 112.542 -5.624 25156 1910 1 3 . 1 1 109 109 THR HA H 109 4.410 4.410 4.433 -0.023 25156 1911 1 3 . 1 1 109 109 THR CA C 109 61.500 61.500 60.447 1.053 25156 1912 1 3 . 1 1 109 109 THR CB C 109 69.700 69.700 67.443 2.257 25156 1913 1 3 . 1 1 109 109 THR H H 109 7.530 7.530 7.781 -0.251 25156 1914 1 3 . 1 1 110 110 GLY N N 110 111.753 111.753 111.527 0.226 25156 1915 1 3 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.816 -1.616 25156 1916 1 3 . 1 1 110 110 GLY H H 110 9.066 9.066 7.922 1.144 25156 1917 1 3 . 1 1 111 111 SER N N 111 118.638 118.638 115.578 3.060 25156 1918 1 3 . 1 1 111 111 SER HA H 111 4.930 4.930 4.445 0.485 25156 1919 1 3 . 1 1 111 111 SER CA C 111 56.600 56.600 57.086 -0.486 25156 1920 1 3 . 1 1 111 111 SER CB C 111 66.400 66.400 64.702 1.698 25156 1921 1 3 . 1 1 111 111 SER H H 111 8.709 8.709 7.923 0.786 25156 1922 1 3 . 1 1 112 112 SER N N 112 116.928 116.928 122.449 -5.521 25156 1923 1 3 . 1 1 112 112 SER CA C 112 61.200 61.200 61.300 -0.100 25156 1924 1 3 . 1 1 112 112 SER CB C 112 62.500 62.500 63.146 -0.646 25156 1925 1 3 . 1 1 112 112 SER H H 112 9.082 9.082 8.761 0.321 25156 1926 1 3 . 1 1 113 113 GLY CA C 113 46.300 46.300 45.711 0.589 25156 1927 1 3 . 1 1 114 114 GLU N N 114 122.746 122.746 123.771 -1.025 25156 1928 1 3 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.045 -0.295 25156 1929 1 3 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.581 -0.581 25156 1930 1 3 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.360 -0.461 25156 1931 1 3 . 1 1 114 114 GLU H H 114 7.628 7.628 7.706 -0.078 25156 1932 1 3 . 1 1 115 115 PHE N N 115 118.328 118.328 115.447 2.881 25156 1933 1 3 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.433 -0.013 25156 1934 1 3 . 1 1 115 115 PHE CA C 115 61.500 61.500 58.727 2.773 25156 1935 1 3 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.501 -0.601 25156 1936 1 3 . 1 1 115 115 PHE H H 115 7.102 7.102 8.304 -1.202 25156 1937 1 3 . 1 1 116 116 SER N N 116 115.349 115.349 117.002 -1.653 25156 1938 1 3 . 1 1 116 116 SER HA H 116 4.510 4.510 3.628 0.882 25156 1939 1 3 . 1 1 116 116 SER CA C 116 61.700 61.700 60.841 0.859 25156 1940 1 3 . 1 1 116 116 SER CB C 116 62.800 62.800 62.920 -0.120 25156 1941 1 3 . 1 1 116 116 SER H H 116 8.940 8.940 7.955 0.985 25156 1942 1 3 . 1 1 117 117 ALA N N 117 122.730 122.730 123.562 -0.832 25156 1943 1 3 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.179 0.091 25156 1944 1 3 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.002 0.798 25156 1945 1 3 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.679 -1.279 25156 1946 1 3 . 1 1 117 117 ALA H H 117 7.501 7.501 8.106 -0.605 25156 1947 1 3 . 1 1 118 118 MET N N 118 118.754 118.754 119.696 -0.942 25156 1948 1 3 . 1 1 118 118 MET HA H 118 3.950 3.950 4.172 -0.222 25156 1949 1 3 . 1 1 118 118 MET CA C 118 60.300 60.300 59.052 1.248 25156 1950 1 3 . 1 1 118 118 MET CB C 118 31.500 31.500 32.571 -1.071 25156 1951 1 3 . 1 1 118 118 MET H H 118 7.812 7.812 8.288 -0.476 25156 1952 1 3 . 1 1 119 119 TYR N N 119 119.385 119.385 119.246 0.139 25156 1953 1 3 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.254 0.096 25156 1954 1 3 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.337 -0.037 25156 1955 1 3 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.211 -1.011 25156 1956 1 3 . 1 1 119 119 TYR H H 119 8.213 8.213 7.882 0.331 25156 1957 1 3 . 1 1 120 120 ASN N N 120 116.665 116.665 117.655 -0.990 25156 1958 1 3 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.213 -0.063 25156 1959 1 3 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.571 0.629 25156 1960 1 3 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.131 -0.631 25156 1961 1 3 . 1 1 120 120 ASN H H 120 8.592 8.592 8.095 0.497 25156 1962 1 3 . 1 1 121 121 MET N N 121 118.788 118.788 118.569 0.219 25156 1963 1 3 . 1 1 121 121 MET HA H 121 4.250 4.250 3.957 0.293 25156 1964 1 3 . 1 1 121 121 MET CA C 121 59.500 59.500 59.345 0.155 25156 1965 1 3 . 1 1 121 121 MET CB C 121 33.800 33.800 32.478 1.322 25156 1966 1 3 . 1 1 121 121 MET H H 121 7.900 7.900 7.403 0.497 25156 1967 1 3 . 1 1 122 122 MET N N 122 118.670 118.670 117.901 0.769 25156 1968 1 3 . 1 1 122 122 MET HA H 122 3.950 3.950 3.808 0.141 25156 1969 1 3 . 1 1 122 122 MET CA C 122 60.300 60.300 58.450 1.849 25156 1970 1 3 . 1 1 122 122 MET CB C 122 33.400 33.400 32.026 1.374 25156 1971 1 3 . 1 1 122 122 MET H H 122 7.813 7.813 7.534 0.279 25156 1972 1 3 . 1 1 123 123 LEU N N 123 118.865 118.865 119.597 -0.732 25156 1973 1 3 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.938 -0.028 25156 1974 1 3 . 1 1 123 123 LEU CA C 123 57.500 57.500 58.005 -0.505 25156 1975 1 3 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.876 -0.376 25156 1976 1 3 . 1 1 123 123 LEU H H 123 7.941 7.941 7.127 0.814 25156 1977 1 3 . 1 1 124 124 GLU N N 124 121.088 121.088 118.809 2.279 25156 1978 1 3 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.093 -0.143 25156 1979 1 3 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.365 -0.066 25156 1980 1 3 . 1 1 124 124 GLU CB C 124 29.000 29.000 30.114 -1.114 25156 1981 1 3 . 1 1 124 124 GLU H H 124 8.398 8.398 7.432 0.966 25156 1982 1 3 . 1 1 125 125 VAL N N 125 112.092 112.092 120.230 -8.138 25156 1983 1 3 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.574 0.426 25156 1984 1 3 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.604 -2.504 25156 1985 1 3 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.908 0.292 25156 1986 1 3 . 1 1 125 125 VAL H H 125 7.682 7.682 8.517 -0.835 25156 1987 1 3 . 1 1 126 126 SER N N 126 116.396 116.396 115.241 1.155 25156 1988 1 3 . 1 1 126 126 SER CA C 126 63.300 63.300 60.721 2.579 25156 1989 1 3 . 1 1 126 126 SER CB C 126 62.800 62.800 62.605 0.195 25156 1990 1 3 . 1 1 126 126 SER H H 126 7.410 7.410 7.541 -0.131 25156 1991 1 3 . 1 1 127 127 GLY N N 127 107.199 107.199 109.502 -2.303 25156 1992 1 3 . 1 1 127 127 GLY CA C 127 48.100 48.100 46.721 1.379 25156 1993 1 3 . 1 1 127 127 GLY H H 127 7.321 7.321 8.160 -0.839 25156 1994 1 3 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.356 -0.046 25156 1995 1 3 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.424 -0.624 25156 1996 1 3 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.535 0.465 25156 1997 1 3 . 1 1 129 129 LEU N N 129 113.172 113.172 116.098 -2.926 25156 1998 1 3 . 1 1 129 129 LEU HA H 129 3.900 3.900 4.172 -0.272 25156 1999 1 3 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.008 0.392 25156 2000 1 3 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.523 -0.523 25156 2001 1 3 . 1 1 129 129 LEU H H 129 6.913 6.913 7.553 -0.640 25156 2002 1 3 . 1 1 130 130 GLU N N 130 121.331 121.331 121.081 0.250 25156 2003 1 3 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.203 -0.083 25156 2004 1 3 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.417 -0.117 25156 2005 1 3 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.930 -1.430 25156 2006 1 3 . 1 1 130 130 GLU H H 130 8.203 8.203 8.388 -0.185 25156 2007 1 3 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.056 -0.086 25156 2008 1 3 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.509 -0.009 25156 2009 1 3 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.298 -0.098 25156 2010 1 3 . 1 1 132 132 LEU N N 132 115.804 115.804 121.339 -5.535 25156 2011 1 3 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.508 -0.598 25156 2012 1 3 . 1 1 132 132 LEU CA C 132 53.100 53.100 54.613 -1.513 25156 2013 1 3 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.283 -1.083 25156 2014 1 3 . 1 1 132 132 LEU H H 132 6.977 6.977 7.471 -0.494 25156 2015 1 3 . 1 1 133 133 GLY N N 133 105.653 105.653 107.053 -1.400 25156 2016 1 3 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.730 0.370 25156 2017 1 3 . 1 1 133 133 GLY H H 133 7.484 7.484 8.007 -0.523 25156 2018 1 3 . 1 1 134 134 VAL CA C 134 62.900 62.900 62.823 0.077 25156 2019 1 3 . 1 1 134 134 VAL CB C 134 31.800 31.800 32.051 -0.251 25156 2020 1 3 . 1 1 137 137 MET CA C 137 58.100 58.100 56.013 2.087 25156 2021 1 3 . 1 1 138 138 THR N N 138 115.359 115.359 118.570 -3.211 25156 2022 1 3 . 1 1 138 138 THR CA C 138 67.100 67.100 65.822 1.278 25156 2023 1 3 . 1 1 138 138 THR H H 138 9.225 9.225 8.639 0.586 25156 2024 1 3 . 1 1 139 139 LYS N N 139 123.109 123.109 120.961 2.148 25156 2025 1 3 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.094 0.106 25156 2026 1 3 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.885 -1.985 25156 2027 1 3 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.178 -0.578 25156 2028 1 3 . 1 1 139 139 LYS H H 139 8.172 8.172 8.382 -0.210 25156 2029 1 3 . 1 1 140 140 THR N N 140 115.472 115.472 117.011 -1.539 25156 2030 1 3 . 1 1 140 140 THR HA H 140 4.000 4.000 4.046 -0.046 25156 2031 1 3 . 1 1 140 140 THR CA C 140 67.000 67.000 66.711 0.289 25156 2032 1 3 . 1 1 140 140 THR CB C 140 68.200 68.200 68.520 -0.320 25156 2033 1 3 . 1 1 140 140 THR H H 140 8.063 8.063 7.714 0.349 25156 2034 1 3 . 1 1 141 141 VAL N N 141 121.319 121.319 121.159 0.160 25156 2035 1 3 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.640 -0.010 25156 2036 1 3 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.446 0.754 25156 2037 1 3 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.686 -0.186 25156 2038 1 3 . 1 1 141 141 VAL H H 141 7.753 7.753 7.509 0.244 25156 2039 1 3 . 1 1 142 142 THR N N 142 114.753 114.753 116.152 -1.399 25156 2040 1 3 . 1 1 142 142 THR HA H 142 4.380 4.380 4.175 0.205 25156 2041 1 3 . 1 1 142 142 THR CA C 142 65.900 65.900 66.698 -0.798 25156 2042 1 3 . 1 1 142 142 THR CB C 142 67.800 67.800 68.686 -0.886 25156 2043 1 3 . 1 1 142 142 THR H H 142 8.965 8.965 8.306 0.659 25156 2044 1 3 . 1 1 143 143 ASP N N 143 123.699 123.699 122.073 1.626 25156 2045 1 3 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.304 0.106 25156 2046 1 3 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.429 -0.629 25156 2047 1 3 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.806 -1.806 25156 2048 1 3 . 1 1 143 143 ASP H H 143 9.254 9.254 8.591 0.663 25156 2049 1 3 . 1 1 144 144 ALA N N 144 122.856 122.856 122.039 0.817 25156 2050 1 3 . 1 1 144 144 ALA HA H 144 4.340 4.340 3.989 0.351 25156 2051 1 3 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.827 -0.127 25156 2052 1 3 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.472 0.728 25156 2053 1 3 . 1 1 144 144 ALA H H 144 7.668 7.668 7.391 0.277 25156 2054 1 3 . 1 1 145 145 ALA N N 145 119.307 119.307 119.611 -0.304 25156 2055 1 3 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.198 0.342 25156 2056 1 3 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.138 -1.438 25156 2057 1 3 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.240 -0.040 25156 2058 1 3 . 1 1 145 145 ALA H H 145 7.718 7.718 7.874 -0.156 25156 2059 1 3 . 1 1 146 146 GLU N N 146 115.837 115.837 118.470 -2.633 25156 2060 1 3 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.037 0.153 25156 2061 1 3 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.756 -1.456 25156 2062 1 3 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.415 -0.315 25156 2063 1 3 . 1 1 146 146 GLU H H 146 7.491 7.491 7.977 -0.486 25156 2064 1 3 . 1 1 147 147 GLN N N 147 115.066 115.066 116.584 -1.518 25156 2065 1 3 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.216 -0.016 25156 2066 1 3 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.799 -1.499 25156 2067 1 3 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.624 0.476 25156 2068 1 3 . 1 1 147 147 GLN H H 147 7.248 7.248 7.842 -0.594 25156 2069 1 3 . 1 1 148 148 HIS N N 148 119.398 119.398 119.071 0.327 25156 2070 1 3 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.715 0.285 25156 2071 1 3 . 1 1 148 148 HIS CA C 148 52.500 52.500 53.112 -0.612 25156 2072 1 3 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.431 2.169 25156 2073 1 3 . 1 1 148 148 HIS H H 148 7.747 7.747 7.534 0.213 25156 2074 1 3 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.453 0.017 25156 2075 1 3 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.574 -1.274 25156 2076 1 3 . 1 1 149 149 PRO CB C 149 32.300 32.300 31.089 1.211 25156 2077 1 3 . 1 1 150 150 THR N N 150 108.042 108.042 118.701 -10.659 25156 2078 1 3 . 1 1 150 150 THR HA H 150 4.040 4.040 3.714 0.326 25156 2079 1 3 . 1 1 150 150 THR CA C 150 60.700 60.700 65.587 -4.887 25156 2080 1 3 . 1 1 150 150 THR CB C 150 68.400 68.400 68.539 -0.139 25156 2081 1 3 . 1 1 150 150 THR H H 150 7.864 7.864 8.281 -0.417 25156 2082 1 3 . 1 1 151 151 THR N N 151 134.400 134.400 110.034 24.366 25156 2083 1 3 . 1 1 151 151 THR HA H 151 4.550 4.550 4.502 0.048 25156 2084 1 3 . 1 1 151 151 THR CA C 151 60.400 60.400 60.636 -0.236 25156 2085 1 3 . 1 1 151 151 THR CB C 151 68.900 68.900 69.287 -0.387 25156 2086 1 3 . 1 1 151 151 THR H H 151 6.900 6.900 7.767 -0.867 25156 2087 1 3 . 1 1 152 152 THR N N 152 108.396 108.396 114.242 -5.846 25156 2088 1 3 . 1 1 152 152 THR HA H 152 4.290 4.290 4.344 -0.054 25156 2089 1 3 . 1 1 152 152 THR CA C 152 57.700 57.700 60.006 -2.306 25156 2090 1 3 . 1 1 152 152 THR CB C 152 71.500 71.500 70.174 1.325 25156 2091 1 3 . 1 1 152 152 THR H H 152 7.104 7.104 7.713 -0.609 25156 2092 1 3 . 1 1 153 153 ALA N N 153 122.816 122.816 122.190 0.626 25156 2093 1 3 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.209 -1.179 25156 2094 1 3 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.929 -1.229 25156 2095 1 3 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.346 0.454 25156 2096 1 3 . 1 1 153 153 ALA H H 153 7.580 7.580 8.867 -1.287 25156 2097 1 3 . 1 1 154 154 GLU N N 154 113.788 113.788 119.171 -5.383 25156 2098 1 3 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.146 -0.406 25156 2099 1 3 . 1 1 154 154 GLU CA C 154 59.800 59.800 57.779 2.021 25156 2100 1 3 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.240 -0.940 25156 2101 1 3 . 1 1 154 154 GLU H H 154 8.544 8.544 8.711 -0.167 25156 2102 1 3 . 1 1 155 155 GLY N N 155 108.136 108.136 108.974 -0.838 25156 2103 1 3 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.112 -0.212 25156 2104 1 3 . 1 1 155 155 GLY H H 155 7.973 7.973 7.727 0.246 25156 2105 1 3 . 1 1 156 156 ILE N N 156 119.992 119.992 122.807 -2.815 25156 2106 1 3 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.629 0.071 25156 2107 1 3 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.201 -3.801 25156 2108 1 3 . 1 1 156 156 ILE CB C 156 34.700 34.700 38.022 -3.322 25156 2109 1 3 . 1 1 156 156 ILE H H 156 7.688 7.688 8.283 -0.595 25156 2110 1 3 . 1 1 157 157 LEU N N 157 118.638 118.638 119.416 -0.778 25156 2111 1 3 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.911 -0.021 25156 2112 1 3 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.348 -0.248 25156 2113 1 3 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.221 -0.521 25156 2114 1 3 . 1 1 157 157 LEU H H 157 8.535 8.535 7.501 1.034 25156 2115 1 3 . 1 1 158 158 GLU N N 158 119.400 119.400 118.836 0.564 25156 2116 1 3 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.078 -0.118 25156 2117 1 3 . 1 1 158 158 GLU CA C 158 58.200 58.200 58.931 -0.731 25156 2118 1 3 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.549 -2.449 25156 2119 1 3 . 1 1 158 158 GLU H H 158 7.606 7.606 8.072 -0.466 25156 2120 1 3 . 1 1 159 159 ILE N N 159 122.226 122.226 120.468 1.758 25156 2121 1 3 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.638 -0.168 25156 2122 1 3 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.793 1.207 25156 2123 1 3 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.294 1.206 25156 2124 1 3 . 1 1 159 159 ILE H H 159 8.285 8.285 8.649 -0.364 25156 2125 1 3 . 1 1 160 160 ALA N N 160 121.722 121.722 122.649 -0.927 25156 2126 1 3 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.858 0.042 25156 2127 1 3 . 1 1 160 160 ALA CA C 160 55.000 55.000 55.086 -0.086 25156 2128 1 3 . 1 1 160 160 ALA CB C 160 17.900 17.900 18.034 -0.134 25156 2129 1 3 . 1 1 160 160 ALA H H 160 9.171 9.171 8.110 1.061 25156 2130 1 3 . 1 1 161 161 LYS N N 161 117.720 117.720 118.600 -0.880 25156 2131 1 3 . 1 1 161 161 LYS HA H 161 3.870 3.870 4.019 -0.149 25156 2132 1 3 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.052 0.448 25156 2133 1 3 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.063 -0.463 25156 2134 1 3 . 1 1 161 161 LYS H H 161 7.661 7.661 7.876 -0.215 25156 2135 1 3 . 1 1 162 162 ILE N N 162 122.241 122.241 119.672 2.569 25156 2136 1 3 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.785 -0.075 25156 2137 1 3 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.604 0.496 25156 2138 1 3 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.039 0.061 25156 2139 1 3 . 1 1 162 162 ILE H H 162 7.587 7.587 7.678 -0.091 25156 2140 1 3 . 1 1 163 163 MET N N 163 120.758 120.758 118.373 2.385 25156 2141 1 3 . 1 1 163 163 MET HA H 163 3.790 3.790 3.989 -0.199 25156 2142 1 3 . 1 1 163 163 MET CA C 163 60.200 60.200 59.145 1.055 25156 2143 1 3 . 1 1 163 163 MET CB C 163 32.200 32.200 32.473 -0.273 25156 2144 1 3 . 1 1 163 163 MET H H 163 8.581 8.581 7.617 0.964 25156 2145 1 3 . 1 1 164 164 LYS N N 164 118.723 118.723 119.038 -0.315 25156 2146 1 3 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.968 -0.218 25156 2147 1 3 . 1 1 164 164 LYS CA C 164 60.300 60.300 60.213 0.087 25156 2148 1 3 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.422 -0.622 25156 2149 1 3 . 1 1 164 164 LYS H H 164 9.221 9.221 8.491 0.730 25156 2150 1 3 . 1 1 165 165 THR N N 165 115.639 115.639 113.665 1.974 25156 2151 1 3 . 1 1 165 165 THR HA H 165 4.270 4.270 4.020 0.250 25156 2152 1 3 . 1 1 165 165 THR CA C 165 66.400 66.400 67.070 -0.670 25156 2153 1 3 . 1 1 165 165 THR CB C 165 68.200 68.200 68.309 -0.109 25156 2154 1 3 . 1 1 165 165 THR H H 165 8.336 8.336 7.471 0.865 25156 2155 1 3 . 1 1 166 166 LYS N N 166 121.525 121.525 122.461 -0.936 25156 2156 1 3 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.067 0.103 25156 2157 1 3 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.814 -1.014 25156 2158 1 3 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.204 -1.604 25156 2159 1 3 . 1 1 166 166 LYS H H 166 7.357 7.357 7.683 -0.326 25156 2160 1 3 . 1 1 167 167 LEU N N 167 117.600 117.600 119.166 -1.566 25156 2161 1 3 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.002 -0.112 25156 2162 1 3 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.174 -0.074 25156 2163 1 3 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.539 0.461 25156 2164 1 3 . 1 1 167 167 LEU H H 167 8.090 8.090 7.431 0.659 25156 2165 1 3 . 1 1 168 168 GLN N N 168 117.484 117.484 117.958 -0.474 25156 2166 1 3 . 1 1 168 168 GLN HA H 168 4.110 4.110 3.975 0.135 25156 2167 1 3 . 1 1 168 168 GLN CA C 168 58.300 58.300 59.101 -0.801 25156 2168 1 3 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.771 -1.171 25156 2169 1 3 . 1 1 168 168 GLN H H 168 8.793 8.793 7.664 1.129 25156 2170 1 3 . 1 1 169 169 ARG N N 169 121.344 121.344 120.632 0.712 25156 2171 1 3 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.048 0.182 25156 2172 1 3 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.861 -0.460 25156 2173 1 3 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.332 -1.232 25156 2174 1 3 . 1 1 169 169 ARG H H 169 8.051 8.051 7.904 0.147 25156 2175 1 3 . 1 1 170 170 VAL N N 170 120.397 120.397 116.941 3.456 25156 2176 1 3 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.675 0.085 25156 2177 1 3 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.519 -0.219 25156 2178 1 3 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.021 0.579 25156 2179 1 3 . 1 1 170 170 VAL H H 170 7.911 7.911 8.259 -0.348 25156 2180 1 3 . 1 1 171 171 HIS N N 171 122.970 122.970 119.587 3.383 25156 2181 1 3 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.237 -0.227 25156 2182 1 3 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.480 -0.180 25156 2183 1 3 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.159 -0.558 25156 2184 1 3 . 1 1 171 171 HIS H H 171 9.281 9.281 7.792 1.489 25156 2185 1 3 . 1 1 172 172 THR N N 172 115.729 115.729 115.440 0.289 25156 2186 1 3 . 1 1 172 172 THR HA H 172 4.360 4.360 4.072 0.288 25156 2187 1 3 . 1 1 172 172 THR CA C 172 67.100 67.100 66.501 0.599 25156 2188 1 3 . 1 1 172 172 THR CB C 172 68.600 68.600 68.448 0.152 25156 2189 1 3 . 1 1 172 172 THR H H 172 8.977 8.977 8.253 0.724 25156 2190 1 3 . 1 1 173 173 LYS N N 173 119.978 119.978 120.291 -0.313 25156 2191 1 3 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.001 0.199 25156 2192 1 3 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.413 0.088 25156 2193 1 3 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.094 0.006 25156 2194 1 3 . 1 1 173 173 LYS H H 173 7.959 7.959 8.078 -0.119 25156 2195 1 3 . 1 1 174 174 ASN N N 174 116.606 116.606 118.443 -1.837 25156 2196 1 3 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.402 0.048 25156 2197 1 3 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.555 1.945 25156 2198 1 3 . 1 1 174 174 ASN CB C 174 40.000 40.000 37.747 2.253 25156 2199 1 3 . 1 1 174 174 ASN H H 174 7.640 7.640 7.762 -0.122 25156 2200 1 3 . 1 1 175 175 TYR N N 175 122.163 122.163 120.727 1.436 25156 2201 1 3 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.030 -0.000 25156 2202 1 3 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.655 -0.555 25156 2203 1 3 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.209 -0.208 25156 2204 1 3 . 1 1 175 175 TYR H H 175 9.079 9.079 8.090 0.989 25156 2205 1 3 . 1 1 176 176 CYS N N 176 116.655 116.655 116.414 0.241 25156 2206 1 3 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.509 0.231 25156 2207 1 3 . 1 1 176 176 CYS CA C 176 58.800 58.800 60.608 -1.808 25156 2208 1 3 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.967 13.333 25156 2209 1 3 . 1 1 176 176 CYS H H 176 8.799 8.799 7.447 1.352 25156 2210 1 3 . 1 1 177 177 ALA N N 177 120.661 120.661 121.639 -0.978 25156 2211 1 3 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.121 -0.041 25156 2212 1 3 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.227 0.272 25156 2213 1 3 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.493 0.307 25156 2214 1 3 . 1 1 177 177 ALA H H 177 7.337 7.337 8.371 -1.034 25156 2215 1 3 . 1 1 178 178 LEU N N 178 120.820 120.820 120.127 0.693 25156 2216 1 3 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.812 0.038 25156 2217 1 3 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.745 -0.245 25156 2218 1 3 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.313 1.387 25156 2219 1 3 . 1 1 178 178 LEU H H 178 8.075 8.075 7.215 0.860 25156 2220 1 3 . 1 1 179 179 GLU N N 179 117.503 117.503 117.732 -0.229 25156 2221 1 3 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.524 -0.014 25156 2222 1 3 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.412 -0.512 25156 2223 1 3 . 1 1 179 179 GLU CB C 179 26.400 26.400 27.974 -1.574 25156 2224 1 3 . 1 1 179 179 GLU H H 179 8.066 8.066 7.208 0.858 25156 2225 1 3 . 1 1 180 180 LYS N N 180 118.823 118.823 117.747 1.076 25156 2226 1 3 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.255 0.015 25156 2227 1 3 . 1 1 180 180 LYS CA C 180 57.300 57.300 58.459 -1.159 25156 2228 1 3 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.397 -0.397 25156 2229 1 3 . 1 1 180 180 LYS H H 180 7.424 7.424 7.320 0.104 25156 2230 1 3 . 1 1 181 181 LYS N N 181 118.403 118.403 117.873 0.530 25156 2231 1 3 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.027 -0.037 25156 2232 1 3 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.693 -0.793 25156 2233 1 3 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.339 -0.739 25156 2234 1 3 . 1 1 181 181 LYS H H 181 7.381 7.381 7.790 -0.409 25156 2235 1 3 . 1 1 182 182 LYS N N 182 116.472 116.472 118.265 -1.793 25156 2236 1 3 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.075 -0.045 25156 2237 1 3 . 1 1 182 182 LYS CA C 182 57.900 57.900 57.849 0.051 25156 2238 1 3 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.758 -0.058 25156 2239 1 3 . 1 1 182 182 LYS H H 182 7.374 7.374 7.636 -0.262 25156 2240 1 3 . 1 1 183 183 ASN N N 183 114.082 114.082 110.840 3.242 25156 2241 1 3 . 1 1 183 183 ASN HA H 183 5.050 5.050 4.879 0.171 25156 2242 1 3 . 1 1 183 183 ASN CA C 183 49.700 49.700 50.948 -1.248 25156 2243 1 3 . 1 1 183 183 ASN CB C 183 39.100 39.100 38.995 0.105 25156 2244 1 3 . 1 1 183 183 ASN H H 183 7.643 7.643 7.286 0.357 25156 2245 1 3 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.425 0.175 25156 2246 1 3 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.754 -0.654 25156 2247 1 3 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.758 0.142 25156 2248 1 3 . 1 1 185 185 ASN N N 185 114.209 114.209 115.089 -0.880 25156 2249 1 3 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.572 0.248 25156 2250 1 3 . 1 1 185 185 ASN CA C 185 52.600 52.600 52.969 -0.369 25156 2251 1 3 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.573 0.727 25156 2252 1 3 . 1 1 185 185 ASN H H 185 7.866 7.866 8.125 -0.259 25156 2253 1 3 . 1 1 186 186 PHE N N 186 122.429 122.429 122.541 -0.112 25156 2254 1 3 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.347 0.003 25156 2255 1 3 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.458 -0.658 25156 2256 1 3 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.343 0.257 25156 2257 1 3 . 1 1 186 186 PHE H H 186 8.035 8.035 7.695 0.340 25156 2258 1 3 . 1 1 187 187 THR N N 187 120.308 120.308 120.453 -0.145 25156 2259 1 3 . 1 1 187 187 THR HA H 187 4.110 4.110 4.088 0.022 25156 2260 1 3 . 1 1 187 187 THR CA C 187 59.700 59.700 61.178 -1.478 25156 2261 1 3 . 1 1 187 187 THR CB C 187 70.400 70.400 70.241 0.159 25156 2262 1 3 . 1 1 187 187 THR H H 187 7.687 7.687 7.563 0.124 25156 2263 1 3 . 1 1 188 188 ASP N N 188 122.010 122.010 123.094 -1.084 25156 2264 1 3 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.566 -0.186 25156 2265 1 3 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.391 0.609 25156 2266 1 3 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.039 2.961 25156 2267 1 3 . 1 1 188 188 ASP H H 188 7.732 7.732 8.126 -0.394 25156 2268 1 3 . 1 1 189 189 GLU N N 189 127.772 127.772 121.008 6.764 25156 2269 1 3 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.110 -0.110 25156 2270 1 3 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.441 0.459 25156 2271 1 3 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.802 -0.902 25156 2272 1 3 . 1 1 189 189 GLU H H 189 9.002 9.002 8.664 0.338 25156 2273 1 3 . 1 1 190 190 LYS N N 190 117.753 117.753 118.544 -0.791 25156 2274 1 3 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.149 0.081 25156 2275 1 3 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.355 0.245 25156 2276 1 3 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.643 -0.743 25156 2277 1 3 . 1 1 190 190 LYS H H 190 9.144 9.144 8.017 1.127 25156 2278 1 3 . 1 1 191 191 CYS N N 191 115.894 115.894 118.296 -2.402 25156 2279 1 3 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.545 0.425 25156 2280 1 3 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.697 -5.896 25156 2281 1 3 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.796 10.504 25156 2282 1 3 . 1 1 191 191 CYS H H 191 7.999 7.999 7.356 0.643 25156 2283 1 3 . 1 1 192 192 LYS N N 192 121.894 121.894 123.323 -1.429 25156 2284 1 3 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.213 0.077 25156 2285 1 3 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.084 0.516 25156 2286 1 3 . 1 1 192 192 LYS CB C 192 32.600 32.600 32.938 -0.339 25156 2287 1 3 . 1 1 192 192 LYS H H 192 7.718 7.718 8.418 -0.700 25156 2288 1 3 . 1 1 193 193 ASN N N 193 118.976 118.976 121.441 -2.465 25156 2289 1 3 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.686 0.104 25156 2290 1 3 . 1 1 193 193 ASN CA C 193 53.000 53.000 52.865 0.135 25156 2291 1 3 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.458 0.042 25156 2292 1 3 . 1 1 193 193 ASN H H 193 8.497 8.497 8.526 -0.029 25156 2293 1 4 . 1 1 30 30 LEU N N 30 118.365 118.365 118.776 -0.411 25156 2294 1 4 . 1 1 30 30 LEU HA H 30 4.360 4.360 3.997 0.363 25156 2295 1 4 . 1 1 30 30 LEU CA C 30 54.400 54.400 55.285 -0.885 25156 2296 1 4 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.663 0.537 25156 2297 1 4 . 1 1 30 30 LEU H H 30 8.544 8.544 8.345 0.199 25156 2298 1 4 . 1 1 31 31 LYS N N 31 119.962 119.962 121.611 -1.649 25156 2299 1 4 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.591 0.069 25156 2300 1 4 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.069 -0.569 25156 2301 1 4 . 1 1 31 31 LYS CB C 31 35.700 35.700 34.432 1.268 25156 2302 1 4 . 1 1 31 31 LYS H H 31 9.499 9.499 8.204 1.295 25156 2303 1 4 . 1 1 32 32 GLY N N 32 107.471 107.471 110.400 -2.929 25156 2304 1 4 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.841 1.059 25156 2305 1 4 . 1 1 32 32 GLY H H 32 8.548 8.548 8.138 0.410 25156 2306 1 4 . 1 1 33 33 GLU N N 33 124.823 124.823 120.372 4.451 25156 2307 1 4 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.063 -0.053 25156 2308 1 4 . 1 1 33 33 GLU CA C 33 58.400 58.400 59.045 -0.645 25156 2309 1 4 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.409 -0.609 25156 2310 1 4 . 1 1 33 33 GLU H H 33 9.049 9.049 8.851 0.198 25156 2311 1 4 . 1 1 34 34 THR N N 34 116.008 116.008 116.580 -0.572 25156 2312 1 4 . 1 1 34 34 THR HA H 34 4.150 4.150 3.950 0.200 25156 2313 1 4 . 1 1 34 34 THR CA C 34 66.200 66.200 65.672 0.528 25156 2314 1 4 . 1 1 34 34 THR CB C 34 68.500 68.500 68.439 0.061 25156 2315 1 4 . 1 1 34 34 THR H H 34 7.772 7.772 8.301 -0.529 25156 2316 1 4 . 1 1 35 35 LYS N N 35 119.081 119.081 120.921 -1.840 25156 2317 1 4 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.213 -0.563 25156 2318 1 4 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.180 0.220 25156 2319 1 4 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.863 -0.563 25156 2320 1 4 . 1 1 35 35 LYS H H 35 6.838 6.838 7.664 -0.826 25156 2321 1 4 . 1 1 36 36 ILE N N 36 116.476 116.476 115.137 1.339 25156 2322 1 4 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.139 -0.399 25156 2323 1 4 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.760 1.040 25156 2324 1 4 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.747 0.353 25156 2325 1 4 . 1 1 36 36 ILE H H 36 7.020 7.020 7.345 -0.325 25156 2326 1 4 . 1 1 37 37 ILE N N 37 119.272 119.272 122.900 -3.628 25156 2327 1 4 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.597 0.093 25156 2328 1 4 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.536 -1.036 25156 2329 1 4 . 1 1 37 37 ILE CB C 37 39.400 39.400 37.967 1.433 25156 2330 1 4 . 1 1 37 37 ILE H H 37 8.507 8.507 8.810 -0.303 25156 2331 1 4 . 1 1 38 38 LEU N N 38 118.624 118.624 120.121 -1.497 25156 2332 1 4 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.085 0.185 25156 2333 1 4 . 1 1 38 38 LEU CA C 38 57.600 57.600 57.975 -0.375 25156 2334 1 4 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.589 -1.489 25156 2335 1 4 . 1 1 38 38 LEU H H 38 8.363 8.363 8.037 0.326 25156 2336 1 4 . 1 1 39 39 GLU N N 39 118.123 118.123 118.767 -0.644 25156 2337 1 4 . 1 1 39 39 GLU HA H 39 4.000 4.000 3.977 0.023 25156 2338 1 4 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.866 0.034 25156 2339 1 4 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.320 -1.320 25156 2340 1 4 . 1 1 39 39 GLU H H 39 8.663 8.663 7.573 1.090 25156 2341 1 4 . 1 1 40 40 ARG N N 40 120.230 120.230 118.886 1.344 25156 2342 1 4 . 1 1 40 40 ARG HA H 40 4.190 4.190 3.998 0.192 25156 2343 1 4 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.755 -1.256 25156 2344 1 4 . 1 1 40 40 ARG CB C 40 29.500 29.500 30.300 -0.800 25156 2345 1 4 . 1 1 40 40 ARG H H 40 7.977 7.977 8.795 -0.818 25156 2346 1 4 . 1 1 41 41 SER N N 41 114.690 114.690 114.751 -0.061 25156 2347 1 4 . 1 1 41 41 SER HA H 41 4.210 4.210 4.306 -0.096 25156 2348 1 4 . 1 1 41 41 SER CA C 41 61.900 61.900 61.371 0.529 25156 2349 1 4 . 1 1 41 41 SER CB C 41 63.000 63.000 62.944 0.056 25156 2350 1 4 . 1 1 41 41 SER H H 41 7.975 7.975 7.820 0.155 25156 2351 1 4 . 1 1 42 42 ALA N N 42 124.202 124.202 124.534 -0.332 25156 2352 1 4 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.117 -0.447 25156 2353 1 4 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.886 -0.186 25156 2354 1 4 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.296 -1.096 25156 2355 1 4 . 1 1 42 42 ALA H H 42 8.578 8.578 7.686 0.892 25156 2356 1 4 . 1 1 43 43 LYS N N 43 121.324 121.324 119.074 2.250 25156 2357 1 4 . 1 1 43 43 LYS HA H 43 4.060 4.060 4.083 -0.023 25156 2358 1 4 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.557 -1.157 25156 2359 1 4 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.183 -0.883 25156 2360 1 4 . 1 1 43 43 LYS H H 43 7.958 7.958 7.910 0.048 25156 2361 1 4 . 1 1 44 44 ASP N N 44 118.176 118.176 119.632 -1.456 25156 2362 1 4 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.450 -0.060 25156 2363 1 4 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.230 -0.029 25156 2364 1 4 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.380 -1.080 25156 2365 1 4 . 1 1 44 44 ASP H H 44 8.111 8.111 7.597 0.514 25156 2366 1 4 . 1 1 45 45 ILE N N 45 117.643 117.643 119.123 -1.480 25156 2367 1 4 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.680 0.140 25156 2368 1 4 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.944 -0.244 25156 2369 1 4 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.579 0.021 25156 2370 1 4 . 1 1 45 45 ILE H H 45 7.417 7.417 7.518 -0.101 25156 2371 1 4 . 1 1 46 46 THR N N 46 116.310 116.310 113.575 2.735 25156 2372 1 4 . 1 1 46 46 THR HA H 46 4.160 4.160 3.942 0.218 25156 2373 1 4 . 1 1 46 46 THR CA C 46 66.200 66.200 66.042 0.158 25156 2374 1 4 . 1 1 46 46 THR CB C 46 67.500 67.500 68.632 -1.132 25156 2375 1 4 . 1 1 46 46 THR H H 46 7.702 7.702 8.010 -0.308 25156 2376 1 4 . 1 1 47 47 ASP N N 47 121.550 121.550 121.048 0.502 25156 2377 1 4 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.493 -0.033 25156 2378 1 4 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.783 0.217 25156 2379 1 4 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.247 -0.847 25156 2380 1 4 . 1 1 47 47 ASP H H 47 9.154 9.154 8.479 0.675 25156 2381 1 4 . 1 1 48 48 GLU N N 48 122.105 122.105 119.841 2.264 25156 2382 1 4 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.184 0.086 25156 2383 1 4 . 1 1 48 48 GLU CA C 48 58.500 58.500 58.864 -0.364 25156 2384 1 4 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.363 -0.362 25156 2385 1 4 . 1 1 48 48 GLU H H 48 7.812 7.812 7.723 0.089 25156 2386 1 4 . 1 1 49 49 ILE N N 49 119.770 119.770 118.665 1.105 25156 2387 1 4 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.753 -0.173 25156 2388 1 4 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.767 1.933 25156 2389 1 4 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.903 -0.002 25156 2390 1 4 . 1 1 49 49 ILE H H 49 8.655 8.655 7.470 1.185 25156 2391 1 4 . 1 1 50 50 ASN N N 50 118.094 118.094 118.296 -0.202 25156 2392 1 4 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.340 0.120 25156 2393 1 4 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.043 -0.143 25156 2394 1 4 . 1 1 50 50 ASN CB C 50 37.000 37.000 37.819 -0.819 25156 2395 1 4 . 1 1 50 50 ASN H H 50 8.399 8.399 7.957 0.442 25156 2396 1 4 . 1 1 51 51 LYS N N 51 122.985 122.985 120.917 2.068 25156 2397 1 4 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.015 0.085 25156 2398 1 4 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.735 -0.235 25156 2399 1 4 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.318 -0.618 25156 2400 1 4 . 1 1 51 51 LYS H H 51 7.949 7.949 7.311 0.638 25156 2401 1 4 . 1 1 52 52 ILE N N 52 121.342 121.342 119.363 1.979 25156 2402 1 4 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.944 -0.154 25156 2403 1 4 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.267 2.533 25156 2404 1 4 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.719 1.781 25156 2405 1 4 . 1 1 52 52 ILE H H 52 8.584 8.584 7.704 0.880 25156 2406 1 4 . 1 1 53 53 LYS N N 53 118.268 118.268 120.462 -2.194 25156 2407 1 4 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.211 0.709 25156 2408 1 4 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.936 0.464 25156 2409 1 4 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.841 0.259 25156 2410 1 4 . 1 1 53 53 LYS H H 53 8.548 8.548 7.762 0.786 25156 2411 1 4 . 1 1 54 54 LYS N N 54 122.485 122.485 119.595 2.890 25156 2412 1 4 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.895 0.265 25156 2413 1 4 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.642 -0.743 25156 2414 1 4 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.301 -0.501 25156 2415 1 4 . 1 1 54 54 LYS H H 54 7.855 7.855 8.318 -0.463 25156 2416 1 4 . 1 1 55 55 ASP N N 55 120.775 120.775 119.291 1.484 25156 2417 1 4 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.407 -0.067 25156 2418 1 4 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.071 -0.171 25156 2419 1 4 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.345 -0.445 25156 2420 1 4 . 1 1 55 55 ASP H H 55 8.813 8.813 8.405 0.408 25156 2421 1 4 . 1 1 56 56 ALA N N 56 123.205 123.205 122.101 1.104 25156 2422 1 4 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.246 -0.726 25156 2423 1 4 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.320 -0.220 25156 2424 1 4 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.496 -1.396 25156 2425 1 4 . 1 1 56 56 ALA H H 56 9.101 9.101 8.366 0.735 25156 2426 1 4 . 1 1 57 57 ALA N N 57 121.461 121.461 120.553 0.908 25156 2427 1 4 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.999 0.241 25156 2428 1 4 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.444 0.356 25156 2429 1 4 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.321 -1.021 25156 2430 1 4 . 1 1 57 57 ALA H H 57 7.770 7.770 8.049 -0.279 25156 2431 1 4 . 1 1 58 58 ASP N N 58 119.548 119.548 119.893 -0.345 25156 2432 1 4 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.404 -0.014 25156 2433 1 4 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.453 -0.053 25156 2434 1 4 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.747 -0.947 25156 2435 1 4 . 1 1 58 58 ASP H H 58 8.443 8.443 8.318 0.125 25156 2436 1 4 . 1 1 59 59 ASN N N 59 115.622 115.622 115.566 0.056 25156 2437 1 4 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.611 0.039 25156 2438 1 4 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.908 0.092 25156 2439 1 4 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.407 0.793 25156 2440 1 4 . 1 1 59 59 ASN H H 59 7.500 7.500 7.703 -0.203 25156 2441 1 4 . 1 1 60 60 ASN N N 60 116.019 116.019 117.193 -1.174 25156 2442 1 4 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.392 -0.062 25156 2443 1 4 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.169 0.131 25156 2444 1 4 . 1 1 60 60 ASN CB C 60 36.700 36.700 37.226 -0.526 25156 2445 1 4 . 1 1 60 60 ASN H H 60 7.930 7.930 7.794 0.136 25156 2446 1 4 . 1 1 61 61 VAL N N 61 119.072 119.072 117.898 1.174 25156 2447 1 4 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.335 -0.375 25156 2448 1 4 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.633 0.867 25156 2449 1 4 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.265 -1.665 25156 2450 1 4 . 1 1 61 61 VAL H H 61 8.245 8.245 7.793 0.452 25156 2451 1 4 . 1 1 62 62 ASN N N 62 125.564 125.564 122.549 3.015 25156 2452 1 4 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.698 -0.058 25156 2453 1 4 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.630 -1.530 25156 2454 1 4 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.045 0.555 25156 2455 1 4 . 1 1 62 62 ASN H H 62 8.524 8.524 8.897 -0.373 25156 2456 1 4 . 1 1 63 63 PHE N N 63 125.711 125.711 126.628 -0.917 25156 2457 1 4 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.060 -0.360 25156 2458 1 4 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.144 -0.844 25156 2459 1 4 . 1 1 63 63 PHE H H 63 8.904 8.904 8.356 0.548 25156 2460 1 4 . 1 1 64 64 ALA N N 64 121.816 121.816 121.687 0.129 25156 2461 1 4 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.775 0.425 25156 2462 1 4 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.379 -0.579 25156 2463 1 4 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.876 -0.176 25156 2464 1 4 . 1 1 64 64 ALA H H 64 8.492 8.492 8.762 -0.270 25156 2465 1 4 . 1 1 65 65 ALA N N 65 118.873 118.873 121.381 -2.508 25156 2466 1 4 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.079 0.101 25156 2467 1 4 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.304 -0.904 25156 2468 1 4 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.347 0.153 25156 2469 1 4 . 1 1 65 65 ALA H H 65 7.984 7.984 7.387 0.597 25156 2470 1 4 . 1 1 66 66 PHE N N 66 115.587 115.587 115.960 -0.373 25156 2471 1 4 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.012 0.048 25156 2472 1 4 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.548 0.152 25156 2473 1 4 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.516 -0.016 25156 2474 1 4 . 1 1 66 66 PHE H H 66 7.795 7.795 8.300 -0.505 25156 2475 1 4 . 1 1 67 67 THR N N 67 109.477 109.477 108.369 1.108 25156 2476 1 4 . 1 1 67 67 THR HA H 67 4.330 4.330 4.250 0.080 25156 2477 1 4 . 1 1 67 67 THR CA C 67 61.900 61.900 62.322 -0.422 25156 2478 1 4 . 1 1 67 67 THR CB C 67 69.000 69.000 70.589 -1.589 25156 2479 1 4 . 1 1 67 67 THR H H 67 7.563 7.563 7.642 -0.079 25156 2480 1 4 . 1 1 68 68 ASP N N 68 122.883 122.883 122.851 0.032 25156 2481 1 4 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.264 0.386 25156 2482 1 4 . 1 1 68 68 ASP CA C 68 54.600 54.600 55.167 -0.567 25156 2483 1 4 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.017 0.883 25156 2484 1 4 . 1 1 68 68 ASP H H 68 7.969 7.969 8.205 -0.236 25156 2485 1 4 . 1 1 69 69 SER N N 69 115.778 115.778 116.473 -0.695 25156 2486 1 4 . 1 1 69 69 SER HA H 69 4.410 4.410 4.513 -0.103 25156 2487 1 4 . 1 1 69 69 SER CA C 69 58.500 58.500 57.578 0.922 25156 2488 1 4 . 1 1 69 69 SER CB C 69 63.400 63.400 64.136 -0.736 25156 2489 1 4 . 1 1 69 69 SER H H 69 8.277 8.277 8.304 -0.027 25156 2490 1 4 . 1 1 70 70 GLU N N 70 122.040 122.040 121.630 0.410 25156 2491 1 4 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.136 0.224 25156 2492 1 4 . 1 1 70 70 GLU CA C 70 56.600 56.600 58.437 -1.837 25156 2493 1 4 . 1 1 70 70 GLU CB C 70 29.300 29.300 29.813 -0.513 25156 2494 1 4 . 1 1 70 70 GLU H H 70 8.464 8.464 8.735 -0.271 25156 2495 1 4 . 1 1 71 71 THR N N 71 113.162 113.162 111.155 2.007 25156 2496 1 4 . 1 1 71 71 THR HA H 71 4.320 4.320 4.331 -0.011 25156 2497 1 4 . 1 1 71 71 THR CA C 71 61.900 61.900 61.638 0.262 25156 2498 1 4 . 1 1 71 71 THR CB C 71 69.200 69.200 70.134 -0.934 25156 2499 1 4 . 1 1 71 71 THR H H 71 8.060 8.060 7.538 0.522 25156 2500 1 4 . 1 1 72 72 GLY N N 72 111.140 111.140 107.704 3.436 25156 2501 1 4 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.780 -0.580 25156 2502 1 4 . 1 1 72 72 GLY H H 72 8.412 8.412 8.543 -0.131 25156 2503 1 4 . 1 1 73 73 SER N N 73 115.757 115.757 115.025 0.732 25156 2504 1 4 . 1 1 73 73 SER HA H 73 4.410 4.410 4.319 0.091 25156 2505 1 4 . 1 1 73 73 SER CA C 73 58.400 58.400 59.140 -0.740 25156 2506 1 4 . 1 1 73 73 SER CB C 73 63.400 63.400 63.285 0.116 25156 2507 1 4 . 1 1 73 73 SER H H 73 8.237 8.237 7.540 0.697 25156 2508 1 4 . 1 1 75 75 VAL N N 75 118.866 118.866 121.615 -2.749 25156 2509 1 4 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.248 -0.098 25156 2510 1 4 . 1 1 75 75 VAL CA C 75 61.900 61.900 61.540 0.360 25156 2511 1 4 . 1 1 75 75 VAL CB C 75 32.600 32.600 33.245 -0.645 25156 2512 1 4 . 1 1 75 75 VAL H H 75 7.997 7.997 8.176 -0.179 25156 2513 1 4 . 1 1 76 76 SER N N 76 117.059 117.059 120.414 -3.355 25156 2514 1 4 . 1 1 76 76 SER HA H 76 4.280 4.280 4.671 -0.391 25156 2515 1 4 . 1 1 76 76 SER CA C 76 58.600 58.600 57.769 0.831 25156 2516 1 4 . 1 1 76 76 SER CB C 76 63.400 63.400 63.930 -0.530 25156 2517 1 4 . 1 1 76 76 SER H H 76 8.183 8.183 8.222 -0.039 25156 2518 1 4 . 1 1 77 77 GLU N N 77 121.924 121.924 120.398 1.526 25156 2519 1 4 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.104 0.216 25156 2520 1 4 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.453 -1.553 25156 2521 1 4 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.831 -0.131 25156 2522 1 4 . 1 1 77 77 GLU H H 77 8.302 8.302 8.711 -0.409 25156 2523 1 4 . 1 1 78 78 ASN N N 78 120.401 120.401 118.145 2.256 25156 2524 1 4 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.736 0.024 25156 2525 1 4 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.312 -0.412 25156 2526 1 4 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.322 0.778 25156 2527 1 4 . 1 1 78 78 ASN H H 78 8.308 8.308 8.088 0.220 25156 2528 1 4 . 1 1 79 79 SER CA C 79 58.300 58.300 60.456 -2.156 25156 2529 1 4 . 1 1 79 79 SER CB C 79 62.300 62.300 63.337 -1.036 25156 2530 1 4 . 1 1 80 80 PHE N N 80 121.812 121.812 122.302 -0.490 25156 2531 1 4 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.269 -0.049 25156 2532 1 4 . 1 1 80 80 PHE CA C 80 61.200 61.200 60.831 0.369 25156 2533 1 4 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.825 -0.625 25156 2534 1 4 . 1 1 80 80 PHE H H 80 8.280 8.280 8.386 -0.106 25156 2535 1 4 . 1 1 81 81 ILE N N 81 119.199 119.199 118.253 0.946 25156 2536 1 4 . 1 1 81 81 ILE HA H 81 3.230 3.230 3.094 0.136 25156 2537 1 4 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.686 -0.086 25156 2538 1 4 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.558 0.142 25156 2539 1 4 . 1 1 81 81 ILE H H 81 7.483 7.483 7.445 0.038 25156 2540 1 4 . 1 1 82 82 LEU N N 82 117.108 117.108 118.533 -1.425 25156 2541 1 4 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.788 0.332 25156 2542 1 4 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.793 -0.193 25156 2543 1 4 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.306 1.394 25156 2544 1 4 . 1 1 82 82 LEU H H 82 7.464 7.464 7.618 -0.154 25156 2545 1 4 . 1 1 83 83 GLU N N 83 117.300 117.300 120.242 -2.942 25156 2546 1 4 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.838 -0.168 25156 2547 1 4 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.139 -0.239 25156 2548 1 4 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.686 -0.586 25156 2549 1 4 . 1 1 83 83 GLU H H 83 8.093 8.093 8.680 -0.587 25156 2550 1 4 . 1 1 84 84 ALA N N 84 122.149 122.149 120.795 1.354 25156 2551 1 4 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.066 -0.216 25156 2552 1 4 . 1 1 84 84 ALA CA C 84 55.000 55.000 54.661 0.339 25156 2553 1 4 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.109 0.291 25156 2554 1 4 . 1 1 84 84 ALA H H 84 8.431 8.431 7.878 0.553 25156 2555 1 4 . 1 1 85 85 LYS N N 85 116.458 116.458 118.125 -1.667 25156 2556 1 4 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.947 0.013 25156 2557 1 4 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.291 1.409 25156 2558 1 4 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.154 -0.354 25156 2559 1 4 . 1 1 85 85 LYS H H 85 8.122 8.122 7.303 0.819 25156 2560 1 4 . 1 1 86 86 VAL N N 86 122.206 122.206 119.477 2.729 25156 2561 1 4 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.668 -0.328 25156 2562 1 4 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.312 1.288 25156 2563 1 4 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.611 -0.211 25156 2564 1 4 . 1 1 86 86 VAL H H 86 8.116 8.116 7.550 0.566 25156 2565 1 4 . 1 1 87 87 ARG N N 87 122.354 122.354 119.401 2.953 25156 2566 1 4 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.053 -0.023 25156 2567 1 4 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.707 0.693 25156 2568 1 4 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.027 1.773 25156 2569 1 4 . 1 1 87 87 ARG H H 87 8.768 8.768 7.456 1.312 25156 2570 1 4 . 1 1 88 88 ALA N N 88 119.659 119.659 120.964 -1.305 25156 2571 1 4 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.100 -0.200 25156 2572 1 4 . 1 1 88 88 ALA CA C 88 54.800 54.800 55.249 -0.449 25156 2573 1 4 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.188 0.012 25156 2574 1 4 . 1 1 88 88 ALA H H 88 8.789 8.789 7.694 1.095 25156 2575 1 4 . 1 1 89 89 THR N N 89 105.646 105.646 115.311 -9.665 25156 2576 1 4 . 1 1 89 89 THR HA H 89 4.310 4.310 4.058 0.252 25156 2577 1 4 . 1 1 89 89 THR CA C 89 65.600 65.600 66.760 -1.159 25156 2578 1 4 . 1 1 89 89 THR CB C 89 67.900 67.900 68.372 -0.472 25156 2579 1 4 . 1 1 89 89 THR H H 89 8.063 8.063 8.136 -0.073 25156 2580 1 4 . 1 1 90 90 THR N N 90 120.262 120.262 119.420 0.842 25156 2581 1 4 . 1 1 90 90 THR HA H 90 4.370 4.370 4.098 0.272 25156 2582 1 4 . 1 1 90 90 THR CA C 90 67.000 67.000 67.412 -0.412 25156 2583 1 4 . 1 1 90 90 THR CB C 90 68.200 68.200 68.567 -0.367 25156 2584 1 4 . 1 1 90 90 THR H H 90 8.021 8.021 8.367 -0.346 25156 2585 1 4 . 1 1 91 91 VAL N N 91 119.100 119.100 118.916 0.184 25156 2586 1 4 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.832 0.188 25156 2587 1 4 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.928 -0.628 25156 2588 1 4 . 1 1 91 91 VAL CB C 91 30.900 30.900 30.714 0.186 25156 2589 1 4 . 1 1 91 91 VAL H H 91 7.653 7.653 7.402 0.251 25156 2590 1 4 . 1 1 92 92 ALA N N 92 124.800 124.800 121.973 2.827 25156 2591 1 4 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.050 0.250 25156 2592 1 4 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.195 -0.595 25156 2593 1 4 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.112 1.388 25156 2594 1 4 . 1 1 92 92 ALA H H 92 8.189 8.189 7.916 0.273 25156 2595 1 4 . 1 1 93 93 GLU N N 93 120.300 120.300 119.211 1.089 25156 2596 1 4 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.971 -0.191 25156 2597 1 4 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.631 0.569 25156 2598 1 4 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.518 -0.818 25156 2599 1 4 . 1 1 93 93 GLU H H 93 8.710 8.710 8.669 0.041 25156 2600 1 4 . 1 1 94 94 LYS N N 94 119.247 119.247 119.911 -0.664 25156 2601 1 4 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.026 0.074 25156 2602 1 4 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.540 -0.040 25156 2603 1 4 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.305 -0.805 25156 2604 1 4 . 1 1 94 94 LYS H H 94 7.575 7.575 7.568 0.007 25156 2605 1 4 . 1 1 95 95 PHE N N 95 121.711 121.711 119.818 1.893 25156 2606 1 4 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.164 0.446 25156 2607 1 4 . 1 1 95 95 PHE CA C 95 59.700 59.700 62.089 -2.389 25156 2608 1 4 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.227 -0.227 25156 2609 1 4 . 1 1 95 95 PHE H H 95 7.467 7.467 7.746 -0.279 25156 2610 1 4 . 1 1 96 96 VAL N N 96 119.674 119.674 119.660 0.014 25156 2611 1 4 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.614 -0.484 25156 2612 1 4 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.678 0.222 25156 2613 1 4 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.959 -0.959 25156 2614 1 4 . 1 1 96 96 VAL H H 96 8.186 8.186 8.167 0.019 25156 2615 1 4 . 1 1 97 97 THR N N 97 117.086 117.086 115.744 1.342 25156 2616 1 4 . 1 1 97 97 THR HA H 97 4.300 4.300 3.962 0.338 25156 2617 1 4 . 1 1 97 97 THR CA C 97 65.600 65.600 66.616 -1.016 25156 2618 1 4 . 1 1 97 97 THR CB C 97 68.300 68.300 68.773 -0.473 25156 2619 1 4 . 1 1 97 97 THR H H 97 8.470 8.470 8.444 0.026 25156 2620 1 4 . 1 1 98 98 ALA N N 98 126.429 126.429 124.509 1.920 25156 2621 1 4 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.043 0.127 25156 2622 1 4 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.908 0.192 25156 2623 1 4 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.892 -1.192 25156 2624 1 4 . 1 1 98 98 ALA H H 98 7.842 7.842 8.400 -0.558 25156 2625 1 4 . 1 1 99 99 ILE N N 99 121.241 121.241 119.873 1.368 25156 2626 1 4 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.565 -0.085 25156 2627 1 4 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.489 -1.488 25156 2628 1 4 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.969 -2.769 25156 2629 1 4 . 1 1 99 99 ILE H H 99 7.937 7.937 7.857 0.080 25156 2630 1 4 . 1 1 100 100 GLU N N 100 118.069 118.069 117.123 0.946 25156 2631 1 4 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.980 -0.260 25156 2632 1 4 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.499 0.501 25156 2633 1 4 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.385 -0.085 25156 2634 1 4 . 1 1 100 100 GLU H H 100 8.458 8.458 7.842 0.616 25156 2635 1 4 . 1 1 101 101 GLY N N 101 107.210 107.210 106.652 0.558 25156 2636 1 4 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.435 1.465 25156 2637 1 4 . 1 1 101 101 GLY H H 101 8.411 8.411 7.317 1.094 25156 2638 1 4 . 1 1 102 102 GLU N N 102 121.134 121.134 123.226 -2.092 25156 2639 1 4 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.833 0.347 25156 2640 1 4 . 1 1 102 102 GLU CA C 102 57.800 57.800 59.024 -1.224 25156 2641 1 4 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.522 -0.822 25156 2642 1 4 . 1 1 102 102 GLU H H 102 8.344 8.344 8.809 -0.465 25156 2643 1 4 . 1 1 103 103 ALA N N 103 121.862 121.862 119.787 2.075 25156 2644 1 4 . 1 1 103 103 ALA HA H 103 4.050 4.050 4.147 -0.097 25156 2645 1 4 . 1 1 103 103 ALA CA C 103 56.000 56.000 53.722 2.278 25156 2646 1 4 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.267 -1.767 25156 2647 1 4 . 1 1 103 103 ALA H H 103 9.325 9.325 7.685 1.640 25156 2648 1 4 . 1 1 104 104 THR N N 104 110.782 110.782 115.658 -4.876 25156 2649 1 4 . 1 1 104 104 THR HA H 104 4.330 4.330 4.069 0.261 25156 2650 1 4 . 1 1 104 104 THR CA C 104 67.000 67.000 63.771 3.229 25156 2651 1 4 . 1 1 104 104 THR CB C 104 68.100 68.100 69.250 -1.150 25156 2652 1 4 . 1 1 104 104 THR H H 104 7.796 7.796 8.016 -0.220 25156 2653 1 4 . 1 1 105 105 LYS N N 105 123.041 123.041 119.649 3.392 25156 2654 1 4 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.340 -0.290 25156 2655 1 4 . 1 1 105 105 LYS CA C 105 59.200 59.200 55.960 3.240 25156 2656 1 4 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.009 -0.809 25156 2657 1 4 . 1 1 105 105 LYS H H 105 7.728 7.728 8.266 -0.538 25156 2658 1 4 . 1 1 106 106 LEU N N 106 117.015 117.015 121.087 -4.072 25156 2659 1 4 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.106 0.404 25156 2660 1 4 . 1 1 106 106 LEU CA C 106 54.200 54.200 56.494 -2.294 25156 2661 1 4 . 1 1 106 106 LEU CB C 106 42.300 42.300 42.137 0.163 25156 2662 1 4 . 1 1 106 106 LEU H H 106 7.768 7.768 8.458 -0.690 25156 2663 1 4 . 1 1 107 107 LYS N N 107 122.173 122.173 118.700 3.473 25156 2664 1 4 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.867 0.053 25156 2665 1 4 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.307 1.593 25156 2666 1 4 . 1 1 107 107 LYS CB C 107 32.500 32.500 31.859 0.641 25156 2667 1 4 . 1 1 107 107 LYS H H 107 7.452 7.452 8.176 -0.724 25156 2668 1 4 . 1 1 108 108 LYS N N 108 114.243 114.243 117.340 -3.097 25156 2669 1 4 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.267 0.333 25156 2670 1 4 . 1 1 108 108 LYS CA C 108 56.800 56.800 58.144 -1.344 25156 2671 1 4 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.639 0.161 25156 2672 1 4 . 1 1 108 108 LYS H H 108 8.735 8.735 7.662 1.073 25156 2673 1 4 . 1 1 109 109 THR N N 109 106.918 106.918 111.854 -4.936 25156 2674 1 4 . 1 1 109 109 THR HA H 109 4.410 4.410 4.490 -0.080 25156 2675 1 4 . 1 1 109 109 THR CA C 109 61.500 61.500 60.601 0.899 25156 2676 1 4 . 1 1 109 109 THR CB C 109 69.700 69.700 66.824 2.876 25156 2677 1 4 . 1 1 109 109 THR H H 109 7.530 7.530 7.613 -0.083 25156 2678 1 4 . 1 1 110 110 GLY N N 110 111.753 111.753 110.226 1.527 25156 2679 1 4 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.632 -1.432 25156 2680 1 4 . 1 1 110 110 GLY H H 110 9.066 9.066 7.810 1.256 25156 2681 1 4 . 1 1 111 111 SER N N 111 118.638 118.638 115.529 3.109 25156 2682 1 4 . 1 1 111 111 SER HA H 111 4.930 4.930 4.534 0.396 25156 2683 1 4 . 1 1 111 111 SER CA C 111 56.600 56.600 57.370 -0.770 25156 2684 1 4 . 1 1 111 111 SER CB C 111 66.400 66.400 65.434 0.966 25156 2685 1 4 . 1 1 111 111 SER H H 111 8.709 8.709 7.981 0.728 25156 2686 1 4 . 1 1 112 112 SER N N 112 116.928 116.928 120.931 -4.003 25156 2687 1 4 . 1 1 112 112 SER CA C 112 61.200 61.200 61.441 -0.241 25156 2688 1 4 . 1 1 112 112 SER CB C 112 62.500 62.500 63.187 -0.687 25156 2689 1 4 . 1 1 112 112 SER H H 112 9.082 9.082 8.804 0.278 25156 2690 1 4 . 1 1 113 113 GLY CA C 113 46.300 46.300 45.540 0.760 25156 2691 1 4 . 1 1 114 114 GLU N N 114 122.746 122.746 123.769 -1.023 25156 2692 1 4 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.002 -0.252 25156 2693 1 4 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.776 -0.776 25156 2694 1 4 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.633 -0.733 25156 2695 1 4 . 1 1 114 114 GLU H H 114 7.628 7.628 8.566 -0.938 25156 2696 1 4 . 1 1 115 115 PHE N N 115 118.328 118.328 115.791 2.537 25156 2697 1 4 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.239 0.181 25156 2698 1 4 . 1 1 115 115 PHE CA C 115 61.500 61.500 59.782 1.718 25156 2699 1 4 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.938 -1.038 25156 2700 1 4 . 1 1 115 115 PHE H H 115 7.102 7.102 8.050 -0.948 25156 2701 1 4 . 1 1 116 116 SER N N 116 115.349 115.349 116.236 -0.887 25156 2702 1 4 . 1 1 116 116 SER HA H 116 4.510 4.510 3.775 0.735 25156 2703 1 4 . 1 1 116 116 SER CA C 116 61.700 61.700 60.490 1.210 25156 2704 1 4 . 1 1 116 116 SER CB C 116 62.800 62.800 62.668 0.132 25156 2705 1 4 . 1 1 116 116 SER H H 116 8.940 8.940 7.233 1.707 25156 2706 1 4 . 1 1 117 117 ALA N N 117 122.730 122.730 124.411 -1.681 25156 2707 1 4 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.224 0.046 25156 2708 1 4 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.692 0.108 25156 2709 1 4 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.128 -0.728 25156 2710 1 4 . 1 1 117 117 ALA H H 117 7.501 7.501 8.350 -0.849 25156 2711 1 4 . 1 1 118 118 MET N N 118 118.754 118.754 117.926 0.828 25156 2712 1 4 . 1 1 118 118 MET HA H 118 3.950 3.950 4.198 -0.248 25156 2713 1 4 . 1 1 118 118 MET CA C 118 60.300 60.300 60.083 0.217 25156 2714 1 4 . 1 1 118 118 MET CB C 118 31.500 31.500 32.645 -1.145 25156 2715 1 4 . 1 1 118 118 MET H H 118 7.812 7.812 7.697 0.115 25156 2716 1 4 . 1 1 119 119 TYR N N 119 119.385 119.385 119.664 -0.279 25156 2717 1 4 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.167 0.183 25156 2718 1 4 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.909 -0.609 25156 2719 1 4 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.249 -1.049 25156 2720 1 4 . 1 1 119 119 TYR H H 119 8.213 8.213 8.009 0.204 25156 2721 1 4 . 1 1 120 120 ASN N N 120 116.665 116.665 118.001 -1.336 25156 2722 1 4 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.377 -0.227 25156 2723 1 4 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.753 0.447 25156 2724 1 4 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.228 -0.728 25156 2725 1 4 . 1 1 120 120 ASN H H 120 8.592 8.592 7.730 0.862 25156 2726 1 4 . 1 1 121 121 MET N N 121 118.788 118.788 119.971 -1.183 25156 2727 1 4 . 1 1 121 121 MET HA H 121 4.250 4.250 4.108 0.142 25156 2728 1 4 . 1 1 121 121 MET CA C 121 59.500 59.500 57.770 1.730 25156 2729 1 4 . 1 1 121 121 MET CB C 121 33.800 33.800 32.467 1.333 25156 2730 1 4 . 1 1 121 121 MET H H 121 7.900 7.900 8.290 -0.390 25156 2731 1 4 . 1 1 122 122 MET N N 122 118.670 118.670 118.969 -0.299 25156 2732 1 4 . 1 1 122 122 MET HA H 122 3.950 3.950 3.719 0.231 25156 2733 1 4 . 1 1 122 122 MET CA C 122 60.300 60.300 58.401 1.899 25156 2734 1 4 . 1 1 122 122 MET CB C 122 33.400 33.400 32.334 1.066 25156 2735 1 4 . 1 1 122 122 MET H H 122 7.813 7.813 7.855 -0.042 25156 2736 1 4 . 1 1 123 123 LEU N N 123 118.865 118.865 118.393 0.472 25156 2737 1 4 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.779 0.131 25156 2738 1 4 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.973 -0.473 25156 2739 1 4 . 1 1 123 123 LEU CB C 123 41.500 41.500 40.967 0.533 25156 2740 1 4 . 1 1 123 123 LEU H H 123 7.941 7.941 7.731 0.210 25156 2741 1 4 . 1 1 124 124 GLU N N 124 121.088 121.088 119.307 1.781 25156 2742 1 4 . 1 1 124 124 GLU HA H 124 3.950 3.950 3.992 -0.042 25156 2743 1 4 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.320 -0.020 25156 2744 1 4 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.428 -0.428 25156 2745 1 4 . 1 1 124 124 GLU H H 124 8.398 8.398 7.627 0.771 25156 2746 1 4 . 1 1 125 125 VAL N N 125 112.092 112.092 119.278 -7.186 25156 2747 1 4 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.592 0.408 25156 2748 1 4 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.257 -2.157 25156 2749 1 4 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.926 0.274 25156 2750 1 4 . 1 1 125 125 VAL H H 125 7.682 7.682 7.531 0.151 25156 2751 1 4 . 1 1 126 126 SER N N 126 116.396 116.396 116.454 -0.058 25156 2752 1 4 . 1 1 126 126 SER CA C 126 63.300 63.300 61.563 1.737 25156 2753 1 4 . 1 1 126 126 SER CB C 126 62.800 62.800 62.602 0.198 25156 2754 1 4 . 1 1 126 126 SER H H 126 7.410 7.410 7.661 -0.251 25156 2755 1 4 . 1 1 127 127 GLY N N 127 107.199 107.199 109.358 -2.159 25156 2756 1 4 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.698 0.402 25156 2757 1 4 . 1 1 127 127 GLY H H 127 7.321 7.321 7.932 -0.611 25156 2758 1 4 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.405 -0.095 25156 2759 1 4 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.185 -0.385 25156 2760 1 4 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.435 0.565 25156 2761 1 4 . 1 1 129 129 LEU N N 129 113.172 113.172 117.156 -3.984 25156 2762 1 4 . 1 1 129 129 LEU HA H 129 3.900 3.900 4.086 -0.186 25156 2763 1 4 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.529 -0.129 25156 2764 1 4 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.717 -0.717 25156 2765 1 4 . 1 1 129 129 LEU H H 129 6.913 6.913 8.066 -1.153 25156 2766 1 4 . 1 1 130 130 GLU N N 130 121.331 121.331 117.906 3.425 25156 2767 1 4 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.213 -0.093 25156 2768 1 4 . 1 1 130 130 GLU CA C 130 59.300 59.300 58.495 0.805 25156 2769 1 4 . 1 1 130 130 GLU CB C 130 28.500 28.500 30.117 -1.617 25156 2770 1 4 . 1 1 130 130 GLU H H 130 8.203 8.203 7.820 0.383 25156 2771 1 4 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.048 -0.078 25156 2772 1 4 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.624 -0.124 25156 2773 1 4 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.222 -0.022 25156 2774 1 4 . 1 1 132 132 LEU N N 132 115.804 115.804 121.209 -5.405 25156 2775 1 4 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.428 -0.518 25156 2776 1 4 . 1 1 132 132 LEU CA C 132 53.100 53.100 54.731 -1.631 25156 2777 1 4 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.058 -0.858 25156 2778 1 4 . 1 1 132 132 LEU H H 132 6.977 6.977 7.400 -0.423 25156 2779 1 4 . 1 1 133 133 GLY N N 133 105.653 105.653 106.626 -0.973 25156 2780 1 4 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.533 0.567 25156 2781 1 4 . 1 1 133 133 GLY H H 133 7.484 7.484 8.096 -0.612 25156 2782 1 4 . 1 1 134 134 VAL CA C 134 62.900 62.900 63.358 -0.458 25156 2783 1 4 . 1 1 134 134 VAL CB C 134 31.800 31.800 32.022 -0.222 25156 2784 1 4 . 1 1 137 137 MET CA C 137 58.100 58.100 55.932 2.168 25156 2785 1 4 . 1 1 138 138 THR N N 138 115.359 115.359 114.892 0.467 25156 2786 1 4 . 1 1 138 138 THR CA C 138 67.100 67.100 64.820 2.280 25156 2787 1 4 . 1 1 138 138 THR H H 138 9.225 9.225 8.315 0.910 25156 2788 1 4 . 1 1 139 139 LYS N N 139 123.109 123.109 120.345 2.764 25156 2789 1 4 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.057 0.143 25156 2790 1 4 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.494 -1.594 25156 2791 1 4 . 1 1 139 139 LYS CB C 139 31.600 31.600 31.472 0.128 25156 2792 1 4 . 1 1 139 139 LYS H H 139 8.172 8.172 8.258 -0.086 25156 2793 1 4 . 1 1 140 140 THR N N 140 115.472 115.472 113.445 2.027 25156 2794 1 4 . 1 1 140 140 THR HA H 140 4.000 4.000 4.192 -0.192 25156 2795 1 4 . 1 1 140 140 THR CA C 140 67.000 67.000 65.443 1.557 25156 2796 1 4 . 1 1 140 140 THR CB C 140 68.200 68.200 68.235 -0.035 25156 2797 1 4 . 1 1 140 140 THR H H 140 8.063 8.063 7.610 0.453 25156 2798 1 4 . 1 1 141 141 VAL N N 141 121.319 121.319 122.290 -0.971 25156 2799 1 4 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.787 -0.157 25156 2800 1 4 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.919 0.281 25156 2801 1 4 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.244 0.256 25156 2802 1 4 . 1 1 141 141 VAL H H 141 7.753 7.753 7.518 0.235 25156 2803 1 4 . 1 1 142 142 THR N N 142 114.753 114.753 116.412 -1.659 25156 2804 1 4 . 1 1 142 142 THR HA H 142 4.380 4.380 4.277 0.103 25156 2805 1 4 . 1 1 142 142 THR CA C 142 65.900 65.900 66.247 -0.347 25156 2806 1 4 . 1 1 142 142 THR CB C 142 67.800 67.800 68.465 -0.665 25156 2807 1 4 . 1 1 142 142 THR H H 142 8.965 8.965 8.361 0.604 25156 2808 1 4 . 1 1 143 143 ASP N N 143 123.699 123.699 122.459 1.240 25156 2809 1 4 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.448 -0.038 25156 2810 1 4 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.043 -0.243 25156 2811 1 4 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.114 -1.114 25156 2812 1 4 . 1 1 143 143 ASP H H 143 9.254 9.254 8.386 0.868 25156 2813 1 4 . 1 1 144 144 ALA N N 144 122.856 122.856 121.708 1.148 25156 2814 1 4 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.097 0.243 25156 2815 1 4 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.988 -0.288 25156 2816 1 4 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.566 0.634 25156 2817 1 4 . 1 1 144 144 ALA H H 144 7.668 7.668 7.914 -0.246 25156 2818 1 4 . 1 1 145 145 ALA N N 145 119.307 119.307 119.613 -0.306 25156 2819 1 4 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.097 0.443 25156 2820 1 4 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.456 -1.756 25156 2821 1 4 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.255 -0.055 25156 2822 1 4 . 1 1 145 145 ALA H H 145 7.718 7.718 7.506 0.212 25156 2823 1 4 . 1 1 146 146 GLU N N 146 115.837 115.837 118.425 -2.588 25156 2824 1 4 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.076 0.114 25156 2825 1 4 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.880 -1.581 25156 2826 1 4 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.491 -0.391 25156 2827 1 4 . 1 1 146 146 GLU H H 146 7.491 7.491 7.886 -0.395 25156 2828 1 4 . 1 1 147 147 GLN N N 147 115.066 115.066 116.911 -1.845 25156 2829 1 4 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.191 0.009 25156 2830 1 4 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.429 -1.129 25156 2831 1 4 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.246 0.854 25156 2832 1 4 . 1 1 147 147 GLN H H 147 7.248 7.248 7.488 -0.240 25156 2833 1 4 . 1 1 148 148 HIS N N 148 119.398 119.398 119.163 0.235 25156 2834 1 4 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.675 0.325 25156 2835 1 4 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.277 -1.777 25156 2836 1 4 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.248 2.352 25156 2837 1 4 . 1 1 148 148 HIS H H 148 7.747 7.747 7.543 0.204 25156 2838 1 4 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.414 0.056 25156 2839 1 4 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.128 -0.828 25156 2840 1 4 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.476 -0.176 25156 2841 1 4 . 1 1 150 150 THR N N 150 108.042 108.042 117.845 -9.803 25156 2842 1 4 . 1 1 150 150 THR HA H 150 4.040 4.040 3.902 0.138 25156 2843 1 4 . 1 1 150 150 THR CA C 150 60.700 60.700 63.110 -2.410 25156 2844 1 4 . 1 1 150 150 THR CB C 150 68.400 68.400 66.557 1.843 25156 2845 1 4 . 1 1 150 150 THR H H 150 7.864 7.864 8.494 -0.630 25156 2846 1 4 . 1 1 151 151 THR N N 151 134.400 134.400 115.548 18.852 25156 2847 1 4 . 1 1 151 151 THR HA H 151 4.550 4.550 3.764 0.786 25156 2848 1 4 . 1 1 151 151 THR CA C 151 60.400 60.400 62.458 -2.058 25156 2849 1 4 . 1 1 151 151 THR CB C 151 68.900 68.900 67.265 1.635 25156 2850 1 4 . 1 1 151 151 THR H H 151 6.900 6.900 8.392 -1.492 25156 2851 1 4 . 1 1 152 152 THR N N 152 108.396 108.396 111.622 -3.226 25156 2852 1 4 . 1 1 152 152 THR HA H 152 4.290 4.290 4.696 -0.406 25156 2853 1 4 . 1 1 152 152 THR CA C 152 57.700 57.700 59.606 -1.906 25156 2854 1 4 . 1 1 152 152 THR CB C 152 71.500 71.500 70.787 0.713 25156 2855 1 4 . 1 1 152 152 THR H H 152 7.104 7.104 7.396 -0.292 25156 2856 1 4 . 1 1 153 153 ALA N N 153 122.816 122.816 123.617 -0.801 25156 2857 1 4 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.037 -1.007 25156 2858 1 4 . 1 1 153 153 ALA CA C 153 54.700 54.700 56.309 -1.609 25156 2859 1 4 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.384 0.416 25156 2860 1 4 . 1 1 153 153 ALA H H 153 7.580 7.580 9.231 -1.651 25156 2861 1 4 . 1 1 154 154 GLU N N 154 113.788 113.788 117.430 -3.642 25156 2862 1 4 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.230 -0.490 25156 2863 1 4 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.092 1.708 25156 2864 1 4 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.321 -1.021 25156 2865 1 4 . 1 1 154 154 GLU H H 154 8.544 8.544 8.819 -0.275 25156 2866 1 4 . 1 1 155 155 GLY N N 155 108.136 108.136 109.385 -1.249 25156 2867 1 4 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.029 -0.129 25156 2868 1 4 . 1 1 155 155 GLY H H 155 7.973 7.973 7.572 0.401 25156 2869 1 4 . 1 1 156 156 ILE N N 156 119.992 119.992 122.960 -2.968 25156 2870 1 4 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.731 -0.031 25156 2871 1 4 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.234 -3.834 25156 2872 1 4 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.318 -2.618 25156 2873 1 4 . 1 1 156 156 ILE H H 156 7.688 7.688 8.884 -1.196 25156 2874 1 4 . 1 1 157 157 LEU N N 157 118.638 118.638 119.361 -0.723 25156 2875 1 4 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.929 -0.039 25156 2876 1 4 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.310 -0.210 25156 2877 1 4 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.444 -0.744 25156 2878 1 4 . 1 1 157 157 LEU H H 157 8.535 8.535 7.849 0.686 25156 2879 1 4 . 1 1 158 158 GLU N N 158 119.400 119.400 119.525 -0.125 25156 2880 1 4 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.046 -0.087 25156 2881 1 4 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.164 -0.964 25156 2882 1 4 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.830 -2.730 25156 2883 1 4 . 1 1 158 158 GLU H H 158 7.606 7.606 7.597 0.009 25156 2884 1 4 . 1 1 159 159 ILE N N 159 122.226 122.226 120.250 1.976 25156 2885 1 4 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.639 -0.169 25156 2886 1 4 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.355 1.645 25156 2887 1 4 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.740 0.760 25156 2888 1 4 . 1 1 159 159 ILE H H 159 8.285 8.285 8.591 -0.306 25156 2889 1 4 . 1 1 160 160 ALA N N 160 121.722 121.722 122.510 -0.788 25156 2890 1 4 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.995 -0.095 25156 2891 1 4 . 1 1 160 160 ALA CA C 160 55.000 55.000 55.223 -0.223 25156 2892 1 4 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.890 0.010 25156 2893 1 4 . 1 1 160 160 ALA H H 160 9.171 9.171 8.267 0.904 25156 2894 1 4 . 1 1 161 161 LYS N N 161 117.720 117.720 118.283 -0.563 25156 2895 1 4 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.982 -0.112 25156 2896 1 4 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.599 -0.099 25156 2897 1 4 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.314 -0.714 25156 2898 1 4 . 1 1 161 161 LYS H H 161 7.661 7.661 7.490 0.171 25156 2899 1 4 . 1 1 162 162 ILE N N 162 122.241 122.241 119.894 2.347 25156 2900 1 4 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.744 -0.034 25156 2901 1 4 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.592 0.508 25156 2902 1 4 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.129 -0.029 25156 2903 1 4 . 1 1 162 162 ILE H H 162 7.587 7.587 7.505 0.082 25156 2904 1 4 . 1 1 163 163 MET N N 163 120.758 120.758 118.122 2.636 25156 2905 1 4 . 1 1 163 163 MET HA H 163 3.790 3.790 4.031 -0.241 25156 2906 1 4 . 1 1 163 163 MET CA C 163 60.200 60.200 59.077 1.123 25156 2907 1 4 . 1 1 163 163 MET CB C 163 32.200 32.200 32.594 -0.394 25156 2908 1 4 . 1 1 163 163 MET H H 163 8.581 8.581 7.646 0.935 25156 2909 1 4 . 1 1 164 164 LYS N N 164 118.723 118.723 119.535 -0.812 25156 2910 1 4 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.919 -0.169 25156 2911 1 4 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.909 0.391 25156 2912 1 4 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.354 -0.554 25156 2913 1 4 . 1 1 164 164 LYS H H 164 9.221 9.221 8.668 0.553 25156 2914 1 4 . 1 1 165 165 THR N N 165 115.639 115.639 115.516 0.123 25156 2915 1 4 . 1 1 165 165 THR HA H 165 4.270 4.270 3.970 0.300 25156 2916 1 4 . 1 1 165 165 THR CA C 165 66.400 66.400 66.855 -0.455 25156 2917 1 4 . 1 1 165 165 THR CB C 165 68.200 68.200 68.325 -0.125 25156 2918 1 4 . 1 1 165 165 THR H H 165 8.336 8.336 7.689 0.647 25156 2919 1 4 . 1 1 166 166 LYS N N 166 121.525 121.525 122.411 -0.886 25156 2920 1 4 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.054 0.116 25156 2921 1 4 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.698 -0.898 25156 2922 1 4 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.055 -1.455 25156 2923 1 4 . 1 1 166 166 LYS H H 166 7.357 7.357 7.533 -0.176 25156 2924 1 4 . 1 1 167 167 LEU N N 167 117.600 117.600 119.436 -1.836 25156 2925 1 4 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.047 -0.157 25156 2926 1 4 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.590 -0.490 25156 2927 1 4 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.567 0.433 25156 2928 1 4 . 1 1 167 167 LEU H H 167 8.090 8.090 7.597 0.493 25156 2929 1 4 . 1 1 168 168 GLN N N 168 117.484 117.484 118.442 -0.958 25156 2930 1 4 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.123 -0.013 25156 2931 1 4 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.560 -0.260 25156 2932 1 4 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.630 -1.030 25156 2933 1 4 . 1 1 168 168 GLN H H 168 8.793 8.793 8.075 0.718 25156 2934 1 4 . 1 1 169 169 ARG N N 169 121.344 121.344 120.550 0.794 25156 2935 1 4 . 1 1 169 169 ARG HA H 169 4.230 4.230 3.930 0.300 25156 2936 1 4 . 1 1 169 169 ARG CA C 169 59.400 59.400 60.175 -0.775 25156 2937 1 4 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.300 -1.200 25156 2938 1 4 . 1 1 169 169 ARG H H 169 8.051 8.051 8.558 -0.507 25156 2939 1 4 . 1 1 170 170 VAL N N 170 120.397 120.397 118.769 1.628 25156 2940 1 4 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.678 0.082 25156 2941 1 4 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.986 -0.686 25156 2942 1 4 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.022 0.578 25156 2943 1 4 . 1 1 170 170 VAL H H 170 7.911 7.911 8.300 -0.389 25156 2944 1 4 . 1 1 171 171 HIS N N 171 122.970 122.970 119.719 3.251 25156 2945 1 4 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.260 -0.250 25156 2946 1 4 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.383 -0.083 25156 2947 1 4 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.089 -0.489 25156 2948 1 4 . 1 1 171 171 HIS H H 171 9.281 9.281 7.820 1.461 25156 2949 1 4 . 1 1 172 172 THR N N 172 115.729 115.729 115.952 -0.223 25156 2950 1 4 . 1 1 172 172 THR HA H 172 4.360 4.360 4.019 0.341 25156 2951 1 4 . 1 1 172 172 THR CA C 172 67.100 67.100 66.668 0.432 25156 2952 1 4 . 1 1 172 172 THR CB C 172 68.600 68.600 68.685 -0.085 25156 2953 1 4 . 1 1 172 172 THR H H 172 8.977 8.977 8.490 0.487 25156 2954 1 4 . 1 1 173 173 LYS N N 173 119.978 119.978 121.947 -1.969 25156 2955 1 4 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.058 0.142 25156 2956 1 4 . 1 1 173 173 LYS CA C 173 59.500 59.500 58.884 0.616 25156 2957 1 4 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.391 -0.291 25156 2958 1 4 . 1 1 173 173 LYS H H 173 7.959 7.959 8.224 -0.265 25156 2959 1 4 . 1 1 174 174 ASN N N 174 116.606 116.606 119.254 -2.648 25156 2960 1 4 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.381 0.069 25156 2961 1 4 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.930 1.570 25156 2962 1 4 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.633 1.367 25156 2963 1 4 . 1 1 174 174 ASN H H 174 7.640 7.640 8.280 -0.640 25156 2964 1 4 . 1 1 175 175 TYR N N 175 122.163 122.163 121.343 0.820 25156 2965 1 4 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.035 -0.005 25156 2966 1 4 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.279 -0.179 25156 2967 1 4 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.113 -0.113 25156 2968 1 4 . 1 1 175 175 TYR H H 175 9.079 9.079 8.327 0.752 25156 2969 1 4 . 1 1 176 176 CYS N N 176 116.655 116.655 117.525 -0.870 25156 2970 1 4 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.296 0.444 25156 2971 1 4 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.551 -2.751 25156 2972 1 4 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.966 13.334 25156 2973 1 4 . 1 1 176 176 CYS H H 176 8.799 8.799 7.573 1.226 25156 2974 1 4 . 1 1 177 177 ALA N N 177 120.661 120.661 121.588 -0.927 25156 2975 1 4 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.232 -0.152 25156 2976 1 4 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.567 -0.067 25156 2977 1 4 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.329 0.471 25156 2978 1 4 . 1 1 177 177 ALA H H 177 7.337 7.337 8.208 -0.871 25156 2979 1 4 . 1 1 178 178 LEU N N 178 120.820 120.820 119.283 1.537 25156 2980 1 4 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.912 -0.062 25156 2981 1 4 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.488 0.012 25156 2982 1 4 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.698 1.002 25156 2983 1 4 . 1 1 178 178 LEU H H 178 8.075 8.075 7.163 0.912 25156 2984 1 4 . 1 1 179 179 GLU N N 179 117.503 117.503 115.511 1.992 25156 2985 1 4 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.807 -0.297 25156 2986 1 4 . 1 1 179 179 GLU CA C 179 57.900 57.900 56.697 1.203 25156 2987 1 4 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.278 -1.878 25156 2988 1 4 . 1 1 179 179 GLU H H 179 8.066 8.066 7.114 0.952 25156 2989 1 4 . 1 1 180 180 LYS N N 180 118.823 118.823 121.421 -2.598 25156 2990 1 4 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.134 0.136 25156 2991 1 4 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.109 -1.810 25156 2992 1 4 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.306 -0.306 25156 2993 1 4 . 1 1 180 180 LYS H H 180 7.424 7.424 7.288 0.136 25156 2994 1 4 . 1 1 181 181 LYS N N 181 118.403 118.403 117.637 0.766 25156 2995 1 4 . 1 1 181 181 LYS HA H 181 3.990 3.990 3.944 0.046 25156 2996 1 4 . 1 1 181 181 LYS CA C 181 57.900 57.900 59.001 -1.101 25156 2997 1 4 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.125 -0.525 25156 2998 1 4 . 1 1 181 181 LYS H H 181 7.381 7.381 7.533 -0.152 25156 2999 1 4 . 1 1 182 182 LYS N N 182 116.472 116.472 117.243 -0.771 25156 3000 1 4 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.045 -0.015 25156 3001 1 4 . 1 1 182 182 LYS CA C 182 57.900 57.900 58.025 -0.125 25156 3002 1 4 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.827 -0.126 25156 3003 1 4 . 1 1 182 182 LYS H H 182 7.374 7.374 7.508 -0.134 25156 3004 1 4 . 1 1 183 183 ASN N N 183 114.082 114.082 112.768 1.314 25156 3005 1 4 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.025 0.025 25156 3006 1 4 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.531 -1.831 25156 3007 1 4 . 1 1 183 183 ASN CB C 183 39.100 39.100 40.154 -1.054 25156 3008 1 4 . 1 1 183 183 ASN H H 183 7.643 7.643 7.497 0.146 25156 3009 1 4 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.538 0.062 25156 3010 1 4 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.706 -0.606 25156 3011 1 4 . 1 1 184 184 PRO CB C 184 31.900 31.900 32.165 -0.265 25156 3012 1 4 . 1 1 185 185 ASN N N 185 114.209 114.209 115.415 -1.206 25156 3013 1 4 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.607 0.213 25156 3014 1 4 . 1 1 185 185 ASN CA C 185 52.600 52.600 52.092 0.508 25156 3015 1 4 . 1 1 185 185 ASN CB C 185 38.300 38.300 36.857 1.443 25156 3016 1 4 . 1 1 185 185 ASN H H 185 7.866 7.866 8.289 -0.423 25156 3017 1 4 . 1 1 186 186 PHE N N 186 122.429 122.429 122.809 -0.380 25156 3018 1 4 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.366 -0.016 25156 3019 1 4 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.250 -0.450 25156 3020 1 4 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.215 0.385 25156 3021 1 4 . 1 1 186 186 PHE H H 186 8.035 8.035 7.604 0.431 25156 3022 1 4 . 1 1 187 187 THR N N 187 120.308 120.308 120.772 -0.464 25156 3023 1 4 . 1 1 187 187 THR HA H 187 4.110 4.110 4.097 0.013 25156 3024 1 4 . 1 1 187 187 THR CA C 187 59.700 59.700 60.860 -1.160 25156 3025 1 4 . 1 1 187 187 THR CB C 187 70.400 70.400 69.843 0.557 25156 3026 1 4 . 1 1 187 187 THR H H 187 7.687 7.687 7.683 0.004 25156 3027 1 4 . 1 1 188 188 ASP N N 188 122.010 122.010 122.884 -0.874 25156 3028 1 4 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.576 -0.196 25156 3029 1 4 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.208 0.792 25156 3030 1 4 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.659 2.341 25156 3031 1 4 . 1 1 188 188 ASP H H 188 7.732 7.732 8.387 -0.655 25156 3032 1 4 . 1 1 189 189 GLU N N 189 127.772 127.772 120.283 7.489 25156 3033 1 4 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.074 -0.074 25156 3034 1 4 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.531 0.369 25156 3035 1 4 . 1 1 189 189 GLU CB C 189 28.900 28.900 30.020 -1.120 25156 3036 1 4 . 1 1 189 189 GLU H H 189 9.002 9.002 8.553 0.449 25156 3037 1 4 . 1 1 190 190 LYS N N 190 117.753 117.753 118.118 -0.365 25156 3038 1 4 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.132 0.098 25156 3039 1 4 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.200 0.400 25156 3040 1 4 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.454 -0.554 25156 3041 1 4 . 1 1 190 190 LYS H H 190 9.144 9.144 8.323 0.821 25156 3042 1 4 . 1 1 191 191 CYS N N 191 115.894 115.894 118.675 -2.781 25156 3043 1 4 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.472 0.498 25156 3044 1 4 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.144 -5.344 25156 3045 1 4 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.435 10.865 25156 3046 1 4 . 1 1 191 191 CYS H H 191 7.999 7.999 7.752 0.247 25156 3047 1 4 . 1 1 192 192 LYS N N 192 121.894 121.894 127.216 -5.322 25156 3048 1 4 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.114 0.176 25156 3049 1 4 . 1 1 192 192 LYS CA C 192 56.600 56.600 57.081 -0.481 25156 3050 1 4 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.312 -0.712 25156 3051 1 4 . 1 1 192 192 LYS H H 192 7.718 7.718 8.358 -0.640 25156 3052 1 4 . 1 1 193 193 ASN N N 193 118.976 118.976 121.987 -3.011 25156 3053 1 4 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.610 0.180 25156 3054 1 4 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.733 -0.734 25156 3055 1 4 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.489 0.011 25156 3056 1 4 . 1 1 193 193 ASN H H 193 8.497 8.497 8.507 -0.010 25156 3057 1 5 . 1 1 30 30 LEU N N 30 118.365 118.365 120.583 -2.218 25156 3058 1 5 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.026 0.334 25156 3059 1 5 . 1 1 30 30 LEU CA C 30 54.400 54.400 55.288 -0.888 25156 3060 1 5 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.737 0.463 25156 3061 1 5 . 1 1 30 30 LEU H H 30 8.544 8.544 8.023 0.521 25156 3062 1 5 . 1 1 31 31 LYS N N 31 119.962 119.962 119.680 0.282 25156 3063 1 5 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.497 0.163 25156 3064 1 5 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.296 -0.796 25156 3065 1 5 . 1 1 31 31 LYS CB C 31 35.700 35.700 34.954 0.746 25156 3066 1 5 . 1 1 31 31 LYS H H 31 9.499 9.499 8.212 1.287 25156 3067 1 5 . 1 1 32 32 GLY N N 32 107.471 107.471 110.825 -3.354 25156 3068 1 5 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.735 1.165 25156 3069 1 5 . 1 1 32 32 GLY H H 32 8.548 8.548 8.224 0.324 25156 3070 1 5 . 1 1 33 33 GLU N N 33 124.823 124.823 119.483 5.340 25156 3071 1 5 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.059 -0.049 25156 3072 1 5 . 1 1 33 33 GLU CA C 33 58.400 58.400 59.016 -0.616 25156 3073 1 5 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.571 -0.771 25156 3074 1 5 . 1 1 33 33 GLU H H 33 9.049 9.049 8.820 0.229 25156 3075 1 5 . 1 1 34 34 THR N N 34 116.008 116.008 115.682 0.326 25156 3076 1 5 . 1 1 34 34 THR HA H 34 4.150 4.150 3.946 0.204 25156 3077 1 5 . 1 1 34 34 THR CA C 34 66.200 66.200 66.177 0.023 25156 3078 1 5 . 1 1 34 34 THR CB C 34 68.500 68.500 68.311 0.189 25156 3079 1 5 . 1 1 34 34 THR H H 34 7.772 7.772 8.486 -0.714 25156 3080 1 5 . 1 1 35 35 LYS N N 35 119.081 119.081 120.872 -1.791 25156 3081 1 5 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.210 -0.560 25156 3082 1 5 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.039 0.361 25156 3083 1 5 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.749 -0.449 25156 3084 1 5 . 1 1 35 35 LYS H H 35 6.838 6.838 7.660 -0.822 25156 3085 1 5 . 1 1 36 36 ILE N N 36 116.476 116.476 115.569 0.907 25156 3086 1 5 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.127 -0.387 25156 3087 1 5 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.838 0.962 25156 3088 1 5 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.824 0.276 25156 3089 1 5 . 1 1 36 36 ILE H H 36 7.020 7.020 7.349 -0.329 25156 3090 1 5 . 1 1 37 37 ILE N N 37 119.272 119.272 122.667 -3.395 25156 3091 1 5 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.606 0.084 25156 3092 1 5 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.455 -0.955 25156 3093 1 5 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.005 1.395 25156 3094 1 5 . 1 1 37 37 ILE H H 37 8.507 8.507 8.833 -0.326 25156 3095 1 5 . 1 1 38 38 LEU N N 38 118.624 118.624 119.699 -1.075 25156 3096 1 5 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.132 0.138 25156 3097 1 5 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.227 -0.627 25156 3098 1 5 . 1 1 38 38 LEU CB C 38 40.100 40.100 40.660 -0.560 25156 3099 1 5 . 1 1 38 38 LEU H H 38 8.363 8.363 8.054 0.309 25156 3100 1 5 . 1 1 39 39 GLU N N 39 118.123 118.123 118.992 -0.869 25156 3101 1 5 . 1 1 39 39 GLU HA H 39 4.000 4.000 3.943 0.057 25156 3102 1 5 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.778 0.122 25156 3103 1 5 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.318 -1.318 25156 3104 1 5 . 1 1 39 39 GLU H H 39 8.663 8.663 7.667 0.996 25156 3105 1 5 . 1 1 40 40 ARG N N 40 120.230 120.230 118.983 1.247 25156 3106 1 5 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.118 0.072 25156 3107 1 5 . 1 1 40 40 ARG CA C 40 58.500 58.500 58.373 0.126 25156 3108 1 5 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.602 -0.102 25156 3109 1 5 . 1 1 40 40 ARG H H 40 7.977 7.977 8.673 -0.696 25156 3110 1 5 . 1 1 41 41 SER N N 41 114.690 114.690 115.617 -0.927 25156 3111 1 5 . 1 1 41 41 SER HA H 41 4.210 4.210 4.452 -0.242 25156 3112 1 5 . 1 1 41 41 SER CA C 41 61.900 61.900 61.490 0.410 25156 3113 1 5 . 1 1 41 41 SER CB C 41 63.000 63.000 63.026 -0.026 25156 3114 1 5 . 1 1 41 41 SER H H 41 7.975 7.975 7.710 0.265 25156 3115 1 5 . 1 1 42 42 ALA N N 42 124.202 124.202 123.357 0.845 25156 3116 1 5 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.021 -0.351 25156 3117 1 5 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.177 0.523 25156 3118 1 5 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.227 -1.027 25156 3119 1 5 . 1 1 42 42 ALA H H 42 8.578 8.578 7.899 0.679 25156 3120 1 5 . 1 1 43 43 LYS N N 43 121.324 121.324 120.017 1.307 25156 3121 1 5 . 1 1 43 43 LYS HA H 43 4.060 4.060 4.011 0.049 25156 3122 1 5 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.566 -1.166 25156 3123 1 5 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.457 -1.157 25156 3124 1 5 . 1 1 43 43 LYS H H 43 7.958 7.958 8.048 -0.090 25156 3125 1 5 . 1 1 44 44 ASP N N 44 118.176 118.176 117.851 0.325 25156 3126 1 5 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.387 0.003 25156 3127 1 5 . 1 1 44 44 ASP CA C 44 57.200 57.200 56.865 0.335 25156 3128 1 5 . 1 1 44 44 ASP CB C 44 39.300 39.300 39.897 -0.597 25156 3129 1 5 . 1 1 44 44 ASP H H 44 8.111 8.111 7.749 0.362 25156 3130 1 5 . 1 1 45 45 ILE N N 45 117.643 117.643 120.536 -2.893 25156 3131 1 5 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.642 0.178 25156 3132 1 5 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.671 0.028 25156 3133 1 5 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.517 0.083 25156 3134 1 5 . 1 1 45 45 ILE H H 45 7.417 7.417 7.271 0.146 25156 3135 1 5 . 1 1 46 46 THR N N 46 116.310 116.310 113.086 3.224 25156 3136 1 5 . 1 1 46 46 THR HA H 46 4.160 4.160 3.913 0.247 25156 3137 1 5 . 1 1 46 46 THR CA C 46 66.200 66.200 66.241 -0.041 25156 3138 1 5 . 1 1 46 46 THR CB C 46 67.500 67.500 68.381 -0.881 25156 3139 1 5 . 1 1 46 46 THR H H 46 7.702 7.702 7.850 -0.148 25156 3140 1 5 . 1 1 47 47 ASP N N 47 121.550 121.550 121.247 0.303 25156 3141 1 5 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.457 0.003 25156 3142 1 5 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.457 0.543 25156 3143 1 5 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.767 -1.367 25156 3144 1 5 . 1 1 47 47 ASP H H 47 9.154 9.154 8.003 1.151 25156 3145 1 5 . 1 1 48 48 GLU N N 48 122.105 122.105 119.981 2.124 25156 3146 1 5 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.118 0.152 25156 3147 1 5 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.157 -0.657 25156 3148 1 5 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.316 -0.316 25156 3149 1 5 . 1 1 48 48 GLU H H 48 7.812 7.812 7.915 -0.103 25156 3150 1 5 . 1 1 49 49 ILE N N 49 119.770 119.770 118.482 1.288 25156 3151 1 5 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.812 -0.232 25156 3152 1 5 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.657 2.043 25156 3153 1 5 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.838 0.062 25156 3154 1 5 . 1 1 49 49 ILE H H 49 8.655 8.655 7.474 1.181 25156 3155 1 5 . 1 1 50 50 ASN N N 50 118.094 118.094 118.743 -0.649 25156 3156 1 5 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.377 0.083 25156 3157 1 5 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.093 -0.193 25156 3158 1 5 . 1 1 50 50 ASN CB C 50 37.000 37.000 37.842 -0.842 25156 3159 1 5 . 1 1 50 50 ASN H H 50 8.399 8.399 7.874 0.525 25156 3160 1 5 . 1 1 51 51 LYS N N 51 122.985 122.985 119.938 3.047 25156 3161 1 5 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.052 0.048 25156 3162 1 5 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.738 -0.238 25156 3163 1 5 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.332 -0.632 25156 3164 1 5 . 1 1 51 51 LYS H H 51 7.949 7.949 7.587 0.362 25156 3165 1 5 . 1 1 52 52 ILE N N 52 121.342 121.342 119.495 1.847 25156 3166 1 5 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.984 -0.194 25156 3167 1 5 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.457 2.343 25156 3168 1 5 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.850 1.650 25156 3169 1 5 . 1 1 52 52 ILE H H 52 8.584 8.584 7.437 1.147 25156 3170 1 5 . 1 1 53 53 LYS N N 53 118.268 118.268 120.593 -2.325 25156 3171 1 5 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.607 0.313 25156 3172 1 5 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.626 0.774 25156 3173 1 5 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.645 0.455 25156 3174 1 5 . 1 1 53 53 LYS H H 53 8.548 8.548 7.764 0.784 25156 3175 1 5 . 1 1 54 54 LYS N N 54 122.485 122.485 118.647 3.838 25156 3176 1 5 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.961 0.199 25156 3177 1 5 . 1 1 54 54 LYS CA C 54 58.900 58.900 60.066 -1.166 25156 3178 1 5 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.187 -0.387 25156 3179 1 5 . 1 1 54 54 LYS H H 54 7.855 7.855 7.685 0.170 25156 3180 1 5 . 1 1 55 55 ASP N N 55 120.775 120.775 120.113 0.662 25156 3181 1 5 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.423 -0.083 25156 3182 1 5 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.048 -0.148 25156 3183 1 5 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.794 -0.894 25156 3184 1 5 . 1 1 55 55 ASP H H 55 8.813 8.813 7.803 1.010 25156 3185 1 5 . 1 1 56 56 ALA N N 56 123.205 123.205 121.651 1.554 25156 3186 1 5 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.287 -0.767 25156 3187 1 5 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.282 -0.182 25156 3188 1 5 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.686 -1.585 25156 3189 1 5 . 1 1 56 56 ALA H H 56 9.101 9.101 8.644 0.457 25156 3190 1 5 . 1 1 57 57 ALA N N 57 121.461 121.461 120.872 0.589 25156 3191 1 5 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.945 0.295 25156 3192 1 5 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.791 0.009 25156 3193 1 5 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.467 -1.167 25156 3194 1 5 . 1 1 57 57 ALA H H 57 7.770 7.770 8.161 -0.391 25156 3195 1 5 . 1 1 58 58 ASP N N 58 119.548 119.548 118.395 1.153 25156 3196 1 5 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.413 -0.023 25156 3197 1 5 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.390 0.010 25156 3198 1 5 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.460 -0.660 25156 3199 1 5 . 1 1 58 58 ASP H H 58 8.443 8.443 8.369 0.074 25156 3200 1 5 . 1 1 59 59 ASN N N 59 115.622 115.622 114.925 0.697 25156 3201 1 5 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.609 0.041 25156 3202 1 5 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.973 0.027 25156 3203 1 5 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.498 0.702 25156 3204 1 5 . 1 1 59 59 ASN H H 59 7.500 7.500 7.776 -0.276 25156 3205 1 5 . 1 1 60 60 ASN N N 60 116.019 116.019 117.805 -1.786 25156 3206 1 5 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.347 -0.017 25156 3207 1 5 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.148 0.152 25156 3208 1 5 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.996 -0.296 25156 3209 1 5 . 1 1 60 60 ASN H H 60 7.930 7.930 7.776 0.154 25156 3210 1 5 . 1 1 61 61 VAL N N 61 119.072 119.072 119.042 0.030 25156 3211 1 5 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.249 -0.289 25156 3212 1 5 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.480 1.020 25156 3213 1 5 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.908 -2.308 25156 3214 1 5 . 1 1 61 61 VAL H H 61 8.245 8.245 7.724 0.521 25156 3215 1 5 . 1 1 62 62 ASN N N 62 125.564 125.564 122.655 2.909 25156 3216 1 5 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.703 -0.063 25156 3217 1 5 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.641 -1.541 25156 3218 1 5 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.179 0.421 25156 3219 1 5 . 1 1 62 62 ASN H H 62 8.524 8.524 8.705 -0.181 25156 3220 1 5 . 1 1 63 63 PHE N N 63 125.711 125.711 126.942 -1.231 25156 3221 1 5 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.043 -0.343 25156 3222 1 5 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.145 -0.845 25156 3223 1 5 . 1 1 63 63 PHE H H 63 8.904 8.904 8.249 0.655 25156 3224 1 5 . 1 1 64 64 ALA N N 64 121.816 121.816 121.934 -0.118 25156 3225 1 5 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.865 0.335 25156 3226 1 5 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.590 -0.790 25156 3227 1 5 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.956 -0.256 25156 3228 1 5 . 1 1 64 64 ALA H H 64 8.492 8.492 8.661 -0.169 25156 3229 1 5 . 1 1 65 65 ALA N N 65 118.873 118.873 120.660 -1.787 25156 3230 1 5 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.151 0.029 25156 3231 1 5 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.057 -0.657 25156 3232 1 5 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.140 0.360 25156 3233 1 5 . 1 1 65 65 ALA H H 65 7.984 7.984 7.422 0.562 25156 3234 1 5 . 1 1 66 66 PHE N N 66 115.587 115.587 117.792 -2.205 25156 3235 1 5 . 1 1 66 66 PHE HA H 66 4.060 4.060 3.950 0.110 25156 3236 1 5 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.295 0.404 25156 3237 1 5 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.086 0.414 25156 3238 1 5 . 1 1 66 66 PHE H H 66 7.795 7.795 8.399 -0.604 25156 3239 1 5 . 1 1 67 67 THR N N 67 109.477 109.477 109.667 -0.190 25156 3240 1 5 . 1 1 67 67 THR HA H 67 4.330 4.330 4.091 0.239 25156 3241 1 5 . 1 1 67 67 THR CA C 67 61.900 61.900 64.362 -2.462 25156 3242 1 5 . 1 1 67 67 THR CB C 67 69.000 69.000 69.685 -0.685 25156 3243 1 5 . 1 1 67 67 THR H H 67 7.563 7.563 7.665 -0.102 25156 3244 1 5 . 1 1 68 68 ASP N N 68 122.883 122.883 121.438 1.445 25156 3245 1 5 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.180 0.470 25156 3246 1 5 . 1 1 68 68 ASP CA C 68 54.600 54.600 54.953 -0.353 25156 3247 1 5 . 1 1 68 68 ASP CB C 68 40.900 40.900 38.946 1.954 25156 3248 1 5 . 1 1 68 68 ASP H H 68 7.969 7.969 7.833 0.136 25156 3249 1 5 . 1 1 69 69 SER N N 69 115.778 115.778 114.778 1.000 25156 3250 1 5 . 1 1 69 69 SER HA H 69 4.410 4.410 4.349 0.061 25156 3251 1 5 . 1 1 69 69 SER CA C 69 58.500 58.500 59.000 -0.500 25156 3252 1 5 . 1 1 69 69 SER CB C 69 63.400 63.400 64.309 -0.909 25156 3253 1 5 . 1 1 69 69 SER H H 69 8.277 8.277 7.750 0.527 25156 3254 1 5 . 1 1 70 70 GLU N N 70 122.040 122.040 124.063 -2.023 25156 3255 1 5 . 1 1 70 70 GLU HA H 70 4.360 4.360 3.942 0.418 25156 3256 1 5 . 1 1 70 70 GLU CA C 70 56.600 56.600 60.152 -3.552 25156 3257 1 5 . 1 1 70 70 GLU CB C 70 29.300 29.300 29.427 -0.127 25156 3258 1 5 . 1 1 70 70 GLU H H 70 8.464 8.464 9.008 -0.544 25156 3259 1 5 . 1 1 71 71 THR N N 71 113.162 113.162 109.966 3.196 25156 3260 1 5 . 1 1 71 71 THR HA H 71 4.320 4.320 4.179 0.141 25156 3261 1 5 . 1 1 71 71 THR CA C 71 61.900 61.900 63.974 -2.074 25156 3262 1 5 . 1 1 71 71 THR CB C 71 69.200 69.200 68.788 0.412 25156 3263 1 5 . 1 1 71 71 THR H H 71 8.060 8.060 7.879 0.181 25156 3264 1 5 . 1 1 72 72 GLY N N 72 111.140 111.140 109.214 1.926 25156 3265 1 5 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.019 0.181 25156 3266 1 5 . 1 1 72 72 GLY H H 72 8.412 8.412 7.788 0.624 25156 3267 1 5 . 1 1 73 73 SER N N 73 115.757 115.757 113.670 2.087 25156 3268 1 5 . 1 1 73 73 SER HA H 73 4.410 4.410 4.121 0.289 25156 3269 1 5 . 1 1 73 73 SER CA C 73 58.400 58.400 59.576 -1.176 25156 3270 1 5 . 1 1 73 73 SER CB C 73 63.400 63.400 61.107 2.293 25156 3271 1 5 . 1 1 73 73 SER H H 73 8.237 8.237 8.474 -0.237 25156 3272 1 5 . 1 1 75 75 VAL N N 75 118.866 118.866 114.812 4.054 25156 3273 1 5 . 1 1 75 75 VAL HA H 75 4.150 4.150 3.662 0.488 25156 3274 1 5 . 1 1 75 75 VAL CA C 75 61.900 61.900 63.756 -1.856 25156 3275 1 5 . 1 1 75 75 VAL CB C 75 32.600 32.600 31.901 0.699 25156 3276 1 5 . 1 1 75 75 VAL H H 75 7.997 7.997 7.740 0.257 25156 3277 1 5 . 1 1 76 76 SER N N 76 117.059 117.059 115.504 1.555 25156 3278 1 5 . 1 1 76 76 SER HA H 76 4.280 4.280 4.543 -0.263 25156 3279 1 5 . 1 1 76 76 SER CA C 76 58.600 58.600 58.636 -0.036 25156 3280 1 5 . 1 1 76 76 SER CB C 76 63.400 63.400 64.950 -1.550 25156 3281 1 5 . 1 1 76 76 SER H H 76 8.183 8.183 8.351 -0.168 25156 3282 1 5 . 1 1 77 77 GLU N N 77 121.924 121.924 121.774 0.150 25156 3283 1 5 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.012 0.308 25156 3284 1 5 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.581 -1.681 25156 3285 1 5 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.038 0.662 25156 3286 1 5 . 1 1 77 77 GLU H H 77 8.302 8.302 8.603 -0.301 25156 3287 1 5 . 1 1 78 78 ASN N N 78 120.401 120.401 116.652 3.749 25156 3288 1 5 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.424 0.336 25156 3289 1 5 . 1 1 78 78 ASN CA C 78 52.900 52.900 54.090 -1.190 25156 3290 1 5 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.350 0.750 25156 3291 1 5 . 1 1 78 78 ASN H H 78 8.308 8.308 8.458 -0.150 25156 3292 1 5 . 1 1 79 79 SER CA C 79 58.300 58.300 58.977 -0.677 25156 3293 1 5 . 1 1 79 79 SER CB C 79 62.300 62.300 63.659 -1.359 25156 3294 1 5 . 1 1 80 80 PHE N N 80 121.812 121.812 124.438 -2.626 25156 3295 1 5 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.264 -0.044 25156 3296 1 5 . 1 1 80 80 PHE CA C 80 61.200 61.200 60.664 0.536 25156 3297 1 5 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.907 -0.707 25156 3298 1 5 . 1 1 80 80 PHE H H 80 8.280 8.280 8.184 0.096 25156 3299 1 5 . 1 1 81 81 ILE N N 81 119.199 119.199 117.389 1.810 25156 3300 1 5 . 1 1 81 81 ILE HA H 81 3.230 3.230 3.038 0.192 25156 3301 1 5 . 1 1 81 81 ILE CA C 81 63.600 63.600 64.138 -0.538 25156 3302 1 5 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.633 0.067 25156 3303 1 5 . 1 1 81 81 ILE H H 81 7.483 7.483 8.259 -0.776 25156 3304 1 5 . 1 1 82 82 LEU N N 82 117.108 117.108 118.127 -1.019 25156 3305 1 5 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.785 0.335 25156 3306 1 5 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.427 0.173 25156 3307 1 5 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.282 1.418 25156 3308 1 5 . 1 1 82 82 LEU H H 82 7.464 7.464 7.506 -0.042 25156 3309 1 5 . 1 1 83 83 GLU N N 83 117.300 117.300 119.591 -2.291 25156 3310 1 5 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.911 -0.241 25156 3311 1 5 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.224 -0.324 25156 3312 1 5 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.742 -0.642 25156 3313 1 5 . 1 1 83 83 GLU H H 83 8.093 8.093 8.663 -0.570 25156 3314 1 5 . 1 1 84 84 ALA N N 84 122.149 122.149 121.315 0.834 25156 3315 1 5 . 1 1 84 84 ALA HA H 84 3.850 3.850 3.834 0.016 25156 3316 1 5 . 1 1 84 84 ALA CA C 84 55.000 55.000 55.164 -0.164 25156 3317 1 5 . 1 1 84 84 ALA CB C 84 18.400 18.400 17.912 0.488 25156 3318 1 5 . 1 1 84 84 ALA H H 84 8.431 8.431 7.880 0.551 25156 3319 1 5 . 1 1 85 85 LYS N N 85 116.458 116.458 117.161 -0.703 25156 3320 1 5 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.802 0.158 25156 3321 1 5 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.252 1.448 25156 3322 1 5 . 1 1 85 85 LYS CB C 85 31.800 31.800 31.955 -0.155 25156 3323 1 5 . 1 1 85 85 LYS H H 85 8.122 8.122 7.165 0.957 25156 3324 1 5 . 1 1 86 86 VAL N N 86 122.206 122.206 119.485 2.721 25156 3325 1 5 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.686 -0.346 25156 3326 1 5 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.010 1.590 25156 3327 1 5 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.454 -0.054 25156 3328 1 5 . 1 1 86 86 VAL H H 86 8.116 8.116 7.438 0.678 25156 3329 1 5 . 1 1 87 87 ARG N N 87 122.354 122.354 118.947 3.407 25156 3330 1 5 . 1 1 87 87 ARG HA H 87 4.030 4.030 3.976 0.054 25156 3331 1 5 . 1 1 87 87 ARG CA C 87 59.400 59.400 59.574 -0.174 25156 3332 1 5 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.843 0.957 25156 3333 1 5 . 1 1 87 87 ARG H H 87 8.768 8.768 7.857 0.911 25156 3334 1 5 . 1 1 88 88 ALA N N 88 119.659 119.659 119.634 0.025 25156 3335 1 5 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.272 -0.372 25156 3336 1 5 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.885 -0.085 25156 3337 1 5 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.262 -0.062 25156 3338 1 5 . 1 1 88 88 ALA H H 88 8.789 8.789 7.381 1.408 25156 3339 1 5 . 1 1 89 89 THR N N 89 105.646 105.646 116.025 -10.379 25156 3340 1 5 . 1 1 89 89 THR HA H 89 4.310 4.310 4.060 0.250 25156 3341 1 5 . 1 1 89 89 THR CA C 89 65.600 65.600 66.566 -0.966 25156 3342 1 5 . 1 1 89 89 THR CB C 89 67.900 67.900 68.431 -0.531 25156 3343 1 5 . 1 1 89 89 THR H H 89 8.063 8.063 7.433 0.630 25156 3344 1 5 . 1 1 90 90 THR N N 90 120.262 120.262 115.397 4.865 25156 3345 1 5 . 1 1 90 90 THR HA H 90 4.370 4.370 3.965 0.405 25156 3346 1 5 . 1 1 90 90 THR CA C 90 67.000 67.000 65.814 1.186 25156 3347 1 5 . 1 1 90 90 THR CB C 90 68.200 68.200 68.675 -0.475 25156 3348 1 5 . 1 1 90 90 THR H H 90 8.021 8.021 7.975 0.046 25156 3349 1 5 . 1 1 91 91 VAL N N 91 119.100 119.100 119.143 -0.043 25156 3350 1 5 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.715 0.305 25156 3351 1 5 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.352 -0.052 25156 3352 1 5 . 1 1 91 91 VAL CB C 91 30.900 30.900 30.367 0.533 25156 3353 1 5 . 1 1 91 91 VAL H H 91 7.653 7.653 7.727 -0.074 25156 3354 1 5 . 1 1 92 92 ALA N N 92 124.800 124.800 122.514 2.286 25156 3355 1 5 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.017 0.283 25156 3356 1 5 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.236 -0.636 25156 3357 1 5 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.162 1.338 25156 3358 1 5 . 1 1 92 92 ALA H H 92 8.189 8.189 7.656 0.533 25156 3359 1 5 . 1 1 93 93 GLU N N 93 120.300 120.300 118.948 1.352 25156 3360 1 5 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.955 -0.175 25156 3361 1 5 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.545 0.655 25156 3362 1 5 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.540 -0.840 25156 3363 1 5 . 1 1 93 93 GLU H H 93 8.710 8.710 8.601 0.109 25156 3364 1 5 . 1 1 94 94 LYS N N 94 119.247 119.247 119.349 -0.102 25156 3365 1 5 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.017 0.083 25156 3366 1 5 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.435 0.065 25156 3367 1 5 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.342 -0.841 25156 3368 1 5 . 1 1 94 94 LYS H H 94 7.575 7.575 7.832 -0.257 25156 3369 1 5 . 1 1 95 95 PHE N N 95 121.711 121.711 121.112 0.599 25156 3370 1 5 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.189 0.421 25156 3371 1 5 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.829 -2.129 25156 3372 1 5 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.046 -0.046 25156 3373 1 5 . 1 1 95 95 PHE H H 95 7.467 7.467 8.026 -0.559 25156 3374 1 5 . 1 1 96 96 VAL N N 96 119.674 119.674 118.788 0.886 25156 3375 1 5 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.602 -0.472 25156 3376 1 5 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.677 0.223 25156 3377 1 5 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.398 -0.398 25156 3378 1 5 . 1 1 96 96 VAL H H 96 8.186 8.186 8.075 0.111 25156 3379 1 5 . 1 1 97 97 THR N N 97 117.086 117.086 115.736 1.350 25156 3380 1 5 . 1 1 97 97 THR HA H 97 4.300 4.300 3.956 0.344 25156 3381 1 5 . 1 1 97 97 THR CA C 97 65.600 65.600 66.636 -1.036 25156 3382 1 5 . 1 1 97 97 THR CB C 97 68.300 68.300 68.753 -0.453 25156 3383 1 5 . 1 1 97 97 THR H H 97 8.470 8.470 8.055 0.415 25156 3384 1 5 . 1 1 98 98 ALA N N 98 126.429 126.429 124.378 2.051 25156 3385 1 5 . 1 1 98 98 ALA HA H 98 4.170 4.170 3.930 0.240 25156 3386 1 5 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.937 0.163 25156 3387 1 5 . 1 1 98 98 ALA CB C 98 16.700 16.700 18.010 -1.310 25156 3388 1 5 . 1 1 98 98 ALA H H 98 7.842 7.842 8.425 -0.583 25156 3389 1 5 . 1 1 99 99 ILE N N 99 121.241 121.241 118.606 2.635 25156 3390 1 5 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.475 0.005 25156 3391 1 5 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.282 -1.282 25156 3392 1 5 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.754 -2.554 25156 3393 1 5 . 1 1 99 99 ILE H H 99 7.937 7.937 7.916 0.021 25156 3394 1 5 . 1 1 100 100 GLU N N 100 118.069 118.069 118.646 -0.577 25156 3395 1 5 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.969 -0.249 25156 3396 1 5 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.837 0.163 25156 3397 1 5 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.170 0.130 25156 3398 1 5 . 1 1 100 100 GLU H H 100 8.458 8.458 7.919 0.539 25156 3399 1 5 . 1 1 101 101 GLY N N 101 107.210 107.210 107.684 -0.474 25156 3400 1 5 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.696 1.204 25156 3401 1 5 . 1 1 101 101 GLY H H 101 8.411 8.411 7.408 1.003 25156 3402 1 5 . 1 1 102 102 GLU N N 102 121.134 121.134 122.648 -1.514 25156 3403 1 5 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.767 0.413 25156 3404 1 5 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.629 -0.829 25156 3405 1 5 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.376 -0.676 25156 3406 1 5 . 1 1 102 102 GLU H H 102 8.344 8.344 8.898 -0.554 25156 3407 1 5 . 1 1 103 103 ALA N N 103 121.862 121.862 119.533 2.329 25156 3408 1 5 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.825 0.225 25156 3409 1 5 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.577 1.423 25156 3410 1 5 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.486 -1.986 25156 3411 1 5 . 1 1 103 103 ALA H H 103 9.325 9.325 7.556 1.769 25156 3412 1 5 . 1 1 104 104 THR N N 104 110.782 110.782 111.717 -0.935 25156 3413 1 5 . 1 1 104 104 THR HA H 104 4.330 4.330 3.780 0.550 25156 3414 1 5 . 1 1 104 104 THR CA C 104 67.000 67.000 64.854 2.146 25156 3415 1 5 . 1 1 104 104 THR CB C 104 68.100 68.100 67.251 0.849 25156 3416 1 5 . 1 1 104 104 THR H H 104 7.796 7.796 8.126 -0.330 25156 3417 1 5 . 1 1 105 105 LYS N N 105 123.041 123.041 120.676 2.365 25156 3418 1 5 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.379 -0.329 25156 3419 1 5 . 1 1 105 105 LYS CA C 105 59.200 59.200 57.073 2.127 25156 3420 1 5 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.363 -1.163 25156 3421 1 5 . 1 1 105 105 LYS H H 105 7.728 7.728 8.309 -0.581 25156 3422 1 5 . 1 1 106 106 LEU N N 106 117.015 117.015 117.837 -0.822 25156 3423 1 5 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.696 -0.186 25156 3424 1 5 . 1 1 106 106 LEU CA C 106 54.200 54.200 56.055 -1.855 25156 3425 1 5 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.019 -0.719 25156 3426 1 5 . 1 1 106 106 LEU H H 106 7.768 7.768 7.773 -0.005 25156 3427 1 5 . 1 1 107 107 LYS N N 107 122.173 122.173 119.381 2.792 25156 3428 1 5 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.951 -0.031 25156 3429 1 5 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.377 1.523 25156 3430 1 5 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.255 0.245 25156 3431 1 5 . 1 1 107 107 LYS H H 107 7.452 7.452 8.287 -0.835 25156 3432 1 5 . 1 1 108 108 LYS N N 108 114.243 114.243 114.436 -0.193 25156 3433 1 5 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.262 0.338 25156 3434 1 5 . 1 1 108 108 LYS CA C 108 56.800 56.800 56.980 -0.180 25156 3435 1 5 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.342 -0.542 25156 3436 1 5 . 1 1 108 108 LYS H H 108 8.735 8.735 7.353 1.382 25156 3437 1 5 . 1 1 109 109 THR N N 109 106.918 106.918 107.395 -0.477 25156 3438 1 5 . 1 1 109 109 THR HA H 109 4.410 4.410 4.234 0.176 25156 3439 1 5 . 1 1 109 109 THR CA C 109 61.500 61.500 58.674 2.826 25156 3440 1 5 . 1 1 109 109 THR CB C 109 69.700 69.700 68.252 1.447 25156 3441 1 5 . 1 1 109 109 THR H H 109 7.530 7.530 7.304 0.226 25156 3442 1 5 . 1 1 110 110 GLY N N 110 111.753 111.753 112.216 -0.463 25156 3443 1 5 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.604 -1.404 25156 3444 1 5 . 1 1 110 110 GLY H H 110 9.066 9.066 7.933 1.133 25156 3445 1 5 . 1 1 111 111 SER N N 111 118.638 118.638 114.986 3.652 25156 3446 1 5 . 1 1 111 111 SER HA H 111 4.930 4.930 4.489 0.441 25156 3447 1 5 . 1 1 111 111 SER CA C 111 56.600 56.600 57.801 -1.202 25156 3448 1 5 . 1 1 111 111 SER CB C 111 66.400 66.400 65.082 1.318 25156 3449 1 5 . 1 1 111 111 SER H H 111 8.709 8.709 7.801 0.908 25156 3450 1 5 . 1 1 112 112 SER N N 112 116.928 116.928 117.041 -0.113 25156 3451 1 5 . 1 1 112 112 SER CA C 112 61.200 61.200 60.930 0.270 25156 3452 1 5 . 1 1 112 112 SER CB C 112 62.500 62.500 62.709 -0.209 25156 3453 1 5 . 1 1 112 112 SER H H 112 9.082 9.082 8.814 0.268 25156 3454 1 5 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.097 0.203 25156 3455 1 5 . 1 1 114 114 GLU N N 114 122.746 122.746 122.214 0.532 25156 3456 1 5 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.057 -0.307 25156 3457 1 5 . 1 1 114 114 GLU CA C 114 59.000 59.000 58.774 0.226 25156 3458 1 5 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.511 -0.611 25156 3459 1 5 . 1 1 114 114 GLU H H 114 7.628 7.628 7.851 -0.223 25156 3460 1 5 . 1 1 115 115 PHE N N 115 118.328 118.328 117.539 0.789 25156 3461 1 5 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.222 0.198 25156 3462 1 5 . 1 1 115 115 PHE CA C 115 61.500 61.500 61.810 -0.310 25156 3463 1 5 . 1 1 115 115 PHE CB C 115 36.900 36.900 38.972 -2.072 25156 3464 1 5 . 1 1 115 115 PHE H H 115 7.102 7.102 7.897 -0.795 25156 3465 1 5 . 1 1 116 116 SER N N 116 115.349 115.349 112.619 2.730 25156 3466 1 5 . 1 1 116 116 SER HA H 116 4.510 4.510 4.505 0.005 25156 3467 1 5 . 1 1 116 116 SER CA C 116 61.700 61.700 60.007 1.694 25156 3468 1 5 . 1 1 116 116 SER CB C 116 62.800 62.800 63.482 -0.682 25156 3469 1 5 . 1 1 116 116 SER H H 116 8.940 8.940 7.821 1.119 25156 3470 1 5 . 1 1 117 117 ALA N N 117 122.730 122.730 125.308 -2.578 25156 3471 1 5 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.088 0.182 25156 3472 1 5 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.971 -0.171 25156 3473 1 5 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.177 -0.777 25156 3474 1 5 . 1 1 117 117 ALA H H 117 7.501 7.501 8.074 -0.573 25156 3475 1 5 . 1 1 118 118 MET N N 118 118.754 118.754 116.870 1.884 25156 3476 1 5 . 1 1 118 118 MET HA H 118 3.950 3.950 4.216 -0.266 25156 3477 1 5 . 1 1 118 118 MET CA C 118 60.300 60.300 59.144 1.156 25156 3478 1 5 . 1 1 118 118 MET CB C 118 31.500 31.500 32.553 -1.052 25156 3479 1 5 . 1 1 118 118 MET H H 118 7.812 7.812 7.696 0.116 25156 3480 1 5 . 1 1 119 119 TYR N N 119 119.385 119.385 118.700 0.685 25156 3481 1 5 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.377 -0.027 25156 3482 1 5 . 1 1 119 119 TYR CA C 119 61.300 61.300 60.084 1.216 25156 3483 1 5 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.259 -1.059 25156 3484 1 5 . 1 1 119 119 TYR H H 119 8.213 8.213 7.631 0.582 25156 3485 1 5 . 1 1 120 120 ASN N N 120 116.665 116.665 119.447 -2.782 25156 3486 1 5 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.021 0.129 25156 3487 1 5 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.919 0.281 25156 3488 1 5 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.130 -0.630 25156 3489 1 5 . 1 1 120 120 ASN H H 120 8.592 8.592 8.427 0.165 25156 3490 1 5 . 1 1 121 121 MET N N 121 118.788 118.788 118.043 0.745 25156 3491 1 5 . 1 1 121 121 MET HA H 121 4.250 4.250 4.130 0.120 25156 3492 1 5 . 1 1 121 121 MET CA C 121 59.500 59.500 57.676 1.824 25156 3493 1 5 . 1 1 121 121 MET CB C 121 33.800 33.800 31.442 2.358 25156 3494 1 5 . 1 1 121 121 MET H H 121 7.900 7.900 7.511 0.389 25156 3495 1 5 . 1 1 122 122 MET N N 122 118.670 118.670 119.809 -1.139 25156 3496 1 5 . 1 1 122 122 MET HA H 122 3.950 3.950 4.008 -0.058 25156 3497 1 5 . 1 1 122 122 MET CA C 122 60.300 60.300 58.980 1.319 25156 3498 1 5 . 1 1 122 122 MET CB C 122 33.400 33.400 32.466 0.934 25156 3499 1 5 . 1 1 122 122 MET H H 122 7.813 7.813 7.578 0.235 25156 3500 1 5 . 1 1 123 123 LEU N N 123 118.865 118.865 119.466 -0.601 25156 3501 1 5 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.911 -0.001 25156 3502 1 5 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.952 -0.452 25156 3503 1 5 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.561 -0.061 25156 3504 1 5 . 1 1 123 123 LEU H H 123 7.941 7.941 7.340 0.601 25156 3505 1 5 . 1 1 124 124 GLU N N 124 121.088 121.088 117.611 3.477 25156 3506 1 5 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.036 -0.086 25156 3507 1 5 . 1 1 124 124 GLU CA C 124 59.300 59.300 58.774 0.526 25156 3508 1 5 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.737 -0.737 25156 3509 1 5 . 1 1 124 124 GLU H H 124 8.398 8.398 7.466 0.932 25156 3510 1 5 . 1 1 125 125 VAL N N 125 112.092 112.092 119.970 -7.878 25156 3511 1 5 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.662 0.338 25156 3512 1 5 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.702 -2.602 25156 3513 1 5 . 1 1 125 125 VAL CB C 125 31.200 31.200 31.159 0.042 25156 3514 1 5 . 1 1 125 125 VAL H H 125 7.682 7.682 8.646 -0.964 25156 3515 1 5 . 1 1 126 126 SER N N 126 116.396 116.396 116.332 0.064 25156 3516 1 5 . 1 1 126 126 SER CA C 126 63.300 63.300 61.799 1.501 25156 3517 1 5 . 1 1 126 126 SER CB C 126 62.800 62.800 61.864 0.937 25156 3518 1 5 . 1 1 126 126 SER H H 126 7.410 7.410 7.904 -0.494 25156 3519 1 5 . 1 1 127 127 GLY N N 127 107.199 107.199 110.410 -3.211 25156 3520 1 5 . 1 1 127 127 GLY CA C 127 48.100 48.100 46.928 1.171 25156 3521 1 5 . 1 1 127 127 GLY H H 127 7.321 7.321 7.781 -0.460 25156 3522 1 5 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.184 0.126 25156 3523 1 5 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.669 -0.869 25156 3524 1 5 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.468 0.531 25156 3525 1 5 . 1 1 129 129 LEU N N 129 113.172 113.172 117.479 -4.307 25156 3526 1 5 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.999 -0.099 25156 3527 1 5 . 1 1 129 129 LEU CA C 129 57.400 57.400 58.643 -1.243 25156 3528 1 5 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.761 -0.762 25156 3529 1 5 . 1 1 129 129 LEU H H 129 6.913 6.913 8.362 -1.449 25156 3530 1 5 . 1 1 130 130 GLU N N 130 121.331 121.331 118.691 2.640 25156 3531 1 5 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.213 -0.093 25156 3532 1 5 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.014 0.286 25156 3533 1 5 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.445 -0.945 25156 3534 1 5 . 1 1 130 130 GLU H H 130 8.203 8.203 7.668 0.535 25156 3535 1 5 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.073 -0.103 25156 3536 1 5 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.898 -0.398 25156 3537 1 5 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.562 -0.362 25156 3538 1 5 . 1 1 132 132 LEU N N 132 115.804 115.804 117.806 -2.002 25156 3539 1 5 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.320 -0.410 25156 3540 1 5 . 1 1 132 132 LEU CA C 132 53.100 53.100 56.642 -3.542 25156 3541 1 5 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.881 -1.681 25156 3542 1 5 . 1 1 132 132 LEU H H 132 6.977 6.977 7.790 -0.813 25156 3543 1 5 . 1 1 133 133 GLY N N 133 105.653 105.653 104.189 1.464 25156 3544 1 5 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.715 0.385 25156 3545 1 5 . 1 1 133 133 GLY H H 133 7.484 7.484 7.578 -0.094 25156 3546 1 5 . 1 1 134 134 VAL CA C 134 62.900 62.900 62.477 0.423 25156 3547 1 5 . 1 1 134 134 VAL CB C 134 31.800 31.800 29.605 2.195 25156 3548 1 5 . 1 1 137 137 MET CA C 137 58.100 58.100 55.523 2.577 25156 3549 1 5 . 1 1 138 138 THR N N 138 115.359 115.359 114.812 0.547 25156 3550 1 5 . 1 1 138 138 THR CA C 138 67.100 67.100 65.291 1.808 25156 3551 1 5 . 1 1 138 138 THR H H 138 9.225 9.225 8.544 0.681 25156 3552 1 5 . 1 1 139 139 LYS N N 139 123.109 123.109 120.406 2.703 25156 3553 1 5 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.247 -0.047 25156 3554 1 5 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.314 -1.414 25156 3555 1 5 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.154 -0.554 25156 3556 1 5 . 1 1 139 139 LYS H H 139 8.172 8.172 8.404 -0.232 25156 3557 1 5 . 1 1 140 140 THR N N 140 115.472 115.472 117.333 -1.861 25156 3558 1 5 . 1 1 140 140 THR HA H 140 4.000 4.000 4.109 -0.109 25156 3559 1 5 . 1 1 140 140 THR CA C 140 67.000 67.000 66.379 0.620 25156 3560 1 5 . 1 1 140 140 THR CB C 140 68.200 68.200 68.364 -0.164 25156 3561 1 5 . 1 1 140 140 THR H H 140 8.063 8.063 7.305 0.758 25156 3562 1 5 . 1 1 141 141 VAL N N 141 121.319 121.319 120.931 0.388 25156 3563 1 5 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.752 -0.122 25156 3564 1 5 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.680 0.520 25156 3565 1 5 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.184 0.316 25156 3566 1 5 . 1 1 141 141 VAL H H 141 7.753 7.753 7.647 0.106 25156 3567 1 5 . 1 1 142 142 THR N N 142 114.753 114.753 116.910 -2.157 25156 3568 1 5 . 1 1 142 142 THR HA H 142 4.380 4.380 4.089 0.291 25156 3569 1 5 . 1 1 142 142 THR CA C 142 65.900 65.900 66.820 -0.920 25156 3570 1 5 . 1 1 142 142 THR CB C 142 67.800 67.800 68.343 -0.543 25156 3571 1 5 . 1 1 142 142 THR H H 142 8.965 8.965 7.786 1.179 25156 3572 1 5 . 1 1 143 143 ASP N N 143 123.699 123.699 121.429 2.270 25156 3573 1 5 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.400 0.010 25156 3574 1 5 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.140 -0.340 25156 3575 1 5 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.853 -1.853 25156 3576 1 5 . 1 1 143 143 ASP H H 143 9.254 9.254 8.119 1.135 25156 3577 1 5 . 1 1 144 144 ALA N N 144 122.856 122.856 121.301 1.555 25156 3578 1 5 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.133 0.207 25156 3579 1 5 . 1 1 144 144 ALA CA C 144 54.700 54.700 55.074 -0.374 25156 3580 1 5 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.582 0.618 25156 3581 1 5 . 1 1 144 144 ALA H H 144 7.668 7.668 7.519 0.149 25156 3582 1 5 . 1 1 145 145 ALA N N 145 119.307 119.307 120.099 -0.792 25156 3583 1 5 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.138 0.402 25156 3584 1 5 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.794 -2.094 25156 3585 1 5 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.376 -0.176 25156 3586 1 5 . 1 1 145 145 ALA H H 145 7.718 7.718 7.509 0.209 25156 3587 1 5 . 1 1 146 146 GLU N N 146 115.837 115.837 117.588 -1.751 25156 3588 1 5 . 1 1 146 146 GLU HA H 146 4.190 4.190 3.981 0.209 25156 3589 1 5 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.800 -1.500 25156 3590 1 5 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.383 -0.283 25156 3591 1 5 . 1 1 146 146 GLU H H 146 7.491 7.491 7.690 -0.199 25156 3592 1 5 . 1 1 147 147 GLN N N 147 115.066 115.066 117.171 -2.105 25156 3593 1 5 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.170 0.030 25156 3594 1 5 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.611 -1.312 25156 3595 1 5 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.636 0.464 25156 3596 1 5 . 1 1 147 147 GLN H H 147 7.248 7.248 7.395 -0.147 25156 3597 1 5 . 1 1 148 148 HIS N N 148 119.398 119.398 118.138 1.260 25156 3598 1 5 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.722 0.278 25156 3599 1 5 . 1 1 148 148 HIS CA C 148 52.500 52.500 53.881 -1.381 25156 3600 1 5 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.087 2.513 25156 3601 1 5 . 1 1 148 148 HIS H H 148 7.747 7.747 7.812 -0.065 25156 3602 1 5 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.414 0.056 25156 3603 1 5 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.787 -1.487 25156 3604 1 5 . 1 1 149 149 PRO CB C 149 32.300 32.300 31.611 0.689 25156 3605 1 5 . 1 1 150 150 THR N N 150 108.042 108.042 118.773 -10.731 25156 3606 1 5 . 1 1 150 150 THR HA H 150 4.040 4.040 3.751 0.289 25156 3607 1 5 . 1 1 150 150 THR CA C 150 60.700 60.700 64.899 -4.199 25156 3608 1 5 . 1 1 150 150 THR CB C 150 68.400 68.400 68.510 -0.110 25156 3609 1 5 . 1 1 150 150 THR H H 150 7.864 7.864 8.349 -0.485 25156 3610 1 5 . 1 1 151 151 THR N N 151 134.400 134.400 110.102 24.298 25156 3611 1 5 . 1 1 151 151 THR HA H 151 4.550 4.550 4.508 0.042 25156 3612 1 5 . 1 1 151 151 THR CA C 151 60.400 60.400 60.694 -0.294 25156 3613 1 5 . 1 1 151 151 THR CB C 151 68.900 68.900 68.946 -0.046 25156 3614 1 5 . 1 1 151 151 THR H H 151 6.900 6.900 7.593 -0.693 25156 3615 1 5 . 1 1 152 152 THR N N 152 108.396 108.396 115.037 -6.641 25156 3616 1 5 . 1 1 152 152 THR HA H 152 4.290 4.290 4.638 -0.348 25156 3617 1 5 . 1 1 152 152 THR CA C 152 57.700 57.700 59.331 -1.631 25156 3618 1 5 . 1 1 152 152 THR CB C 152 71.500 71.500 70.396 1.104 25156 3619 1 5 . 1 1 152 152 THR H H 152 7.104 7.104 7.588 -0.484 25156 3620 1 5 . 1 1 153 153 ALA N N 153 122.816 122.816 123.357 -0.541 25156 3621 1 5 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.149 -1.119 25156 3622 1 5 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.985 -1.285 25156 3623 1 5 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.043 0.757 25156 3624 1 5 . 1 1 153 153 ALA H H 153 7.580 7.580 8.485 -0.905 25156 3625 1 5 . 1 1 154 154 GLU N N 154 113.788 113.788 118.010 -4.222 25156 3626 1 5 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.243 -0.503 25156 3627 1 5 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.113 1.687 25156 3628 1 5 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.220 -0.920 25156 3629 1 5 . 1 1 154 154 GLU H H 154 8.544 8.544 8.614 -0.070 25156 3630 1 5 . 1 1 155 155 GLY N N 155 108.136 108.136 109.055 -0.919 25156 3631 1 5 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.169 -0.269 25156 3632 1 5 . 1 1 155 155 GLY H H 155 7.973 7.973 7.758 0.215 25156 3633 1 5 . 1 1 156 156 ILE N N 156 119.992 119.992 122.903 -2.911 25156 3634 1 5 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.639 0.061 25156 3635 1 5 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.320 -3.920 25156 3636 1 5 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.996 -3.296 25156 3637 1 5 . 1 1 156 156 ILE H H 156 7.688 7.688 8.733 -1.045 25156 3638 1 5 . 1 1 157 157 LEU N N 157 118.638 118.638 119.340 -0.702 25156 3639 1 5 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.885 0.005 25156 3640 1 5 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.229 -0.129 25156 3641 1 5 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.344 -0.644 25156 3642 1 5 . 1 1 157 157 LEU H H 157 8.535 8.535 7.669 0.866 25156 3643 1 5 . 1 1 158 158 GLU N N 158 119.400 119.400 119.175 0.225 25156 3644 1 5 . 1 1 158 158 GLU HA H 158 3.960 3.960 3.951 0.009 25156 3645 1 5 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.157 -0.957 25156 3646 1 5 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.983 -2.884 25156 3647 1 5 . 1 1 158 158 GLU H H 158 7.606 7.606 7.858 -0.252 25156 3648 1 5 . 1 1 159 159 ILE N N 159 122.226 122.226 120.313 1.913 25156 3649 1 5 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.610 -0.140 25156 3650 1 5 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.415 1.585 25156 3651 1 5 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.733 0.767 25156 3652 1 5 . 1 1 159 159 ILE H H 159 8.285 8.285 8.564 -0.279 25156 3653 1 5 . 1 1 160 160 ALA N N 160 121.722 121.722 122.632 -0.910 25156 3654 1 5 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.877 0.023 25156 3655 1 5 . 1 1 160 160 ALA CA C 160 55.000 55.000 55.027 -0.027 25156 3656 1 5 . 1 1 160 160 ALA CB C 160 17.900 17.900 18.040 -0.140 25156 3657 1 5 . 1 1 160 160 ALA H H 160 9.171 9.171 8.361 0.810 25156 3658 1 5 . 1 1 161 161 LYS N N 161 117.720 117.720 118.372 -0.652 25156 3659 1 5 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.979 -0.109 25156 3660 1 5 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.642 -0.142 25156 3661 1 5 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.295 -0.695 25156 3662 1 5 . 1 1 161 161 LYS H H 161 7.661 7.661 7.505 0.156 25156 3663 1 5 . 1 1 162 162 ILE N N 162 122.241 122.241 119.478 2.763 25156 3664 1 5 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.735 -0.025 25156 3665 1 5 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.533 0.567 25156 3666 1 5 . 1 1 162 162 ILE CB C 162 38.100 38.100 37.989 0.111 25156 3667 1 5 . 1 1 162 162 ILE H H 162 7.587 7.587 7.541 0.046 25156 3668 1 5 . 1 1 163 163 MET N N 163 120.758 120.758 117.533 3.225 25156 3669 1 5 . 1 1 163 163 MET HA H 163 3.790 3.790 4.105 -0.315 25156 3670 1 5 . 1 1 163 163 MET CA C 163 60.200 60.200 58.933 1.267 25156 3671 1 5 . 1 1 163 163 MET CB C 163 32.200 32.200 32.786 -0.586 25156 3672 1 5 . 1 1 163 163 MET H H 163 8.581 8.581 7.550 1.031 25156 3673 1 5 . 1 1 164 164 LYS N N 164 118.723 118.723 120.428 -1.705 25156 3674 1 5 . 1 1 164 164 LYS HA H 164 3.750 3.750 4.001 -0.251 25156 3675 1 5 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.830 0.470 25156 3676 1 5 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.379 -0.579 25156 3677 1 5 . 1 1 164 164 LYS H H 164 9.221 9.221 8.659 0.562 25156 3678 1 5 . 1 1 165 165 THR N N 165 115.639 115.639 114.113 1.526 25156 3679 1 5 . 1 1 165 165 THR HA H 165 4.270 4.270 4.057 0.213 25156 3680 1 5 . 1 1 165 165 THR CA C 165 66.400 66.400 65.444 0.956 25156 3681 1 5 . 1 1 165 165 THR CB C 165 68.200 68.200 68.755 -0.555 25156 3682 1 5 . 1 1 165 165 THR H H 165 8.336 8.336 7.714 0.622 25156 3683 1 5 . 1 1 166 166 LYS N N 166 121.525 121.525 119.961 1.564 25156 3684 1 5 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.246 -0.076 25156 3685 1 5 . 1 1 166 166 LYS CA C 166 58.800 58.800 58.084 0.716 25156 3686 1 5 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.142 -1.542 25156 3687 1 5 . 1 1 166 166 LYS H H 166 7.357 7.357 7.661 -0.304 25156 3688 1 5 . 1 1 167 167 LEU N N 167 117.600 117.600 120.206 -2.606 25156 3689 1 5 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.035 -0.145 25156 3690 1 5 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.259 -0.159 25156 3691 1 5 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.739 0.261 25156 3692 1 5 . 1 1 167 167 LEU H H 167 8.090 8.090 7.446 0.644 25156 3693 1 5 . 1 1 168 168 GLN N N 168 117.484 117.484 114.720 2.764 25156 3694 1 5 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.242 -0.132 25156 3695 1 5 . 1 1 168 168 GLN CA C 168 58.300 58.300 57.622 0.678 25156 3696 1 5 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.805 -1.205 25156 3697 1 5 . 1 1 168 168 GLN H H 168 8.793 8.793 7.652 1.141 25156 3698 1 5 . 1 1 169 169 ARG N N 169 121.344 121.344 121.217 0.127 25156 3699 1 5 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.147 0.083 25156 3700 1 5 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.613 -0.213 25156 3701 1 5 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.791 -1.691 25156 3702 1 5 . 1 1 169 169 ARG H H 169 8.051 8.051 7.502 0.549 25156 3703 1 5 . 1 1 170 170 VAL N N 170 120.397 120.397 116.700 3.697 25156 3704 1 5 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.795 -0.035 25156 3705 1 5 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.299 0.001 25156 3706 1 5 . 1 1 170 170 VAL CB C 170 31.600 31.600 30.889 0.711 25156 3707 1 5 . 1 1 170 170 VAL H H 170 7.911 7.911 8.115 -0.204 25156 3708 1 5 . 1 1 171 171 HIS N N 171 122.970 122.970 119.808 3.162 25156 3709 1 5 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.178 -0.168 25156 3710 1 5 . 1 1 171 171 HIS CA C 171 60.300 60.300 59.807 0.493 25156 3711 1 5 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.268 -0.668 25156 3712 1 5 . 1 1 171 171 HIS H H 171 9.281 9.281 7.728 1.553 25156 3713 1 5 . 1 1 172 172 THR N N 172 115.729 115.729 114.918 0.811 25156 3714 1 5 . 1 1 172 172 THR HA H 172 4.360 4.360 3.826 0.534 25156 3715 1 5 . 1 1 172 172 THR CA C 172 67.100 67.100 66.712 0.388 25156 3716 1 5 . 1 1 172 172 THR CB C 172 68.600 68.600 68.412 0.188 25156 3717 1 5 . 1 1 172 172 THR H H 172 8.977 8.977 7.797 1.180 25156 3718 1 5 . 1 1 173 173 LYS N N 173 119.978 119.978 121.686 -1.708 25156 3719 1 5 . 1 1 173 173 LYS HA H 173 4.200 4.200 3.975 0.225 25156 3720 1 5 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.386 0.114 25156 3721 1 5 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.431 -0.331 25156 3722 1 5 . 1 1 173 173 LYS H H 173 7.959 7.959 7.924 0.035 25156 3723 1 5 . 1 1 174 174 ASN N N 174 116.606 116.606 118.665 -2.059 25156 3724 1 5 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.507 -0.057 25156 3725 1 5 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.674 1.826 25156 3726 1 5 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.227 1.773 25156 3727 1 5 . 1 1 174 174 ASN H H 174 7.640 7.640 8.399 -0.759 25156 3728 1 5 . 1 1 175 175 TYR N N 175 122.163 122.163 121.515 0.648 25156 3729 1 5 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.143 -0.113 25156 3730 1 5 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.254 -0.154 25156 3731 1 5 . 1 1 175 175 TYR CB C 175 38.000 38.000 37.855 0.145 25156 3732 1 5 . 1 1 175 175 TYR H H 175 9.079 9.079 8.454 0.625 25156 3733 1 5 . 1 1 176 176 CYS N N 176 116.655 116.655 117.158 -0.503 25156 3734 1 5 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.388 0.352 25156 3735 1 5 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.034 -2.234 25156 3736 1 5 . 1 1 176 176 CYS CB C 176 39.300 39.300 26.055 13.245 25156 3737 1 5 . 1 1 176 176 CYS H H 176 8.799 8.799 7.573 1.226 25156 3738 1 5 . 1 1 177 177 ALA N N 177 120.661 120.661 121.646 -0.985 25156 3739 1 5 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.129 -0.049 25156 3740 1 5 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.098 0.402 25156 3741 1 5 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.467 0.333 25156 3742 1 5 . 1 1 177 177 ALA H H 177 7.337 7.337 7.971 -0.634 25156 3743 1 5 . 1 1 178 178 LEU N N 178 120.820 120.820 120.156 0.664 25156 3744 1 5 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.802 0.048 25156 3745 1 5 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.761 -0.261 25156 3746 1 5 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.380 1.320 25156 3747 1 5 . 1 1 178 178 LEU H H 178 8.075 8.075 7.183 0.892 25156 3748 1 5 . 1 1 179 179 GLU N N 179 117.503 117.503 116.157 1.346 25156 3749 1 5 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.540 -0.030 25156 3750 1 5 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.189 -0.289 25156 3751 1 5 . 1 1 179 179 GLU CB C 179 26.400 26.400 27.398 -0.998 25156 3752 1 5 . 1 1 179 179 GLU H H 179 8.066 8.066 7.141 0.925 25156 3753 1 5 . 1 1 180 180 LYS N N 180 118.823 118.823 118.392 0.431 25156 3754 1 5 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.225 0.045 25156 3755 1 5 . 1 1 180 180 LYS CA C 180 57.300 57.300 58.517 -1.217 25156 3756 1 5 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.321 -0.321 25156 3757 1 5 . 1 1 180 180 LYS H H 180 7.424 7.424 7.242 0.182 25156 3758 1 5 . 1 1 181 181 LYS N N 181 118.403 118.403 117.830 0.573 25156 3759 1 5 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.062 -0.072 25156 3760 1 5 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.677 -0.777 25156 3761 1 5 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.348 -0.748 25156 3762 1 5 . 1 1 181 181 LYS H H 181 7.381 7.381 7.640 -0.259 25156 3763 1 5 . 1 1 182 182 LYS N N 182 116.472 116.472 117.472 -1.000 25156 3764 1 5 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.040 -0.010 25156 3765 1 5 . 1 1 182 182 LYS CA C 182 57.900 57.900 58.123 -0.223 25156 3766 1 5 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.924 -0.224 25156 3767 1 5 . 1 1 182 182 LYS H H 182 7.374 7.374 7.622 -0.248 25156 3768 1 5 . 1 1 183 183 ASN N N 183 114.082 114.082 111.588 2.494 25156 3769 1 5 . 1 1 183 183 ASN HA H 183 5.050 5.050 4.988 0.062 25156 3770 1 5 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.667 -1.967 25156 3771 1 5 . 1 1 183 183 ASN CB C 183 39.100 39.100 38.177 0.923 25156 3772 1 5 . 1 1 183 183 ASN H H 183 7.643 7.643 7.601 0.042 25156 3773 1 5 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.357 0.243 25156 3774 1 5 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.330 -0.230 25156 3775 1 5 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.900 -0.000 25156 3776 1 5 . 1 1 185 185 ASN N N 185 114.209 114.209 115.816 -1.607 25156 3777 1 5 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.597 0.223 25156 3778 1 5 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.567 -0.967 25156 3779 1 5 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.964 0.336 25156 3780 1 5 . 1 1 185 185 ASN H H 185 7.866 7.866 8.203 -0.337 25156 3781 1 5 . 1 1 186 186 PHE N N 186 122.429 122.429 123.211 -0.782 25156 3782 1 5 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.376 -0.026 25156 3783 1 5 . 1 1 186 186 PHE CA C 186 58.800 58.800 58.989 -0.188 25156 3784 1 5 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.254 0.346 25156 3785 1 5 . 1 1 186 186 PHE H H 186 8.035 8.035 7.544 0.491 25156 3786 1 5 . 1 1 187 187 THR N N 187 120.308 120.308 118.920 1.388 25156 3787 1 5 . 1 1 187 187 THR HA H 187 4.110 4.110 4.160 -0.050 25156 3788 1 5 . 1 1 187 187 THR CA C 187 59.700 59.700 60.525 -0.825 25156 3789 1 5 . 1 1 187 187 THR CB C 187 70.400 70.400 71.177 -0.777 25156 3790 1 5 . 1 1 187 187 THR H H 187 7.687 7.687 7.609 0.078 25156 3791 1 5 . 1 1 188 188 ASP N N 188 122.010 122.010 120.889 1.121 25156 3792 1 5 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.555 -0.175 25156 3793 1 5 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.519 0.481 25156 3794 1 5 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.508 2.491 25156 3795 1 5 . 1 1 188 188 ASP H H 188 7.732 7.732 7.874 -0.142 25156 3796 1 5 . 1 1 189 189 GLU N N 189 127.772 127.772 124.529 3.243 25156 3797 1 5 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.000 -0.000 25156 3798 1 5 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.042 0.858 25156 3799 1 5 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.555 -0.655 25156 3800 1 5 . 1 1 189 189 GLU H H 189 9.002 9.002 8.726 0.276 25156 3801 1 5 . 1 1 190 190 LYS N N 190 117.753 117.753 118.475 -0.722 25156 3802 1 5 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.119 0.111 25156 3803 1 5 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.379 0.221 25156 3804 1 5 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.589 -0.689 25156 3805 1 5 . 1 1 190 190 LYS H H 190 9.144 9.144 8.482 0.662 25156 3806 1 5 . 1 1 191 191 CYS N N 191 115.894 115.894 118.186 -2.292 25156 3807 1 5 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.465 0.505 25156 3808 1 5 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.839 -6.039 25156 3809 1 5 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.997 10.303 25156 3810 1 5 . 1 1 191 191 CYS H H 191 7.999 7.999 7.542 0.457 25156 3811 1 5 . 1 1 192 192 LYS N N 192 121.894 121.894 124.304 -2.410 25156 3812 1 5 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.330 -0.040 25156 3813 1 5 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.136 0.464 25156 3814 1 5 . 1 1 192 192 LYS CB C 192 32.600 32.600 32.849 -0.249 25156 3815 1 5 . 1 1 192 192 LYS H H 192 7.718 7.718 8.365 -0.647 25156 3816 1 5 . 1 1 193 193 ASN N N 193 118.976 118.976 121.349 -2.373 25156 3817 1 5 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.649 0.141 25156 3818 1 5 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.260 -0.260 25156 3819 1 5 . 1 1 193 193 ASN CB C 193 38.500 38.500 39.037 -0.537 25156 3820 1 5 . 1 1 193 193 ASN H H 193 8.497 8.497 8.497 -0.000 25156 3821 1 6 . 1 1 30 30 LEU N N 30 118.365 118.365 121.130 -2.765 25156 3822 1 6 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.077 0.283 25156 3823 1 6 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.868 -0.468 25156 3824 1 6 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.854 0.346 25156 3825 1 6 . 1 1 30 30 LEU H H 30 8.544 8.544 8.086 0.458 25156 3826 1 6 . 1 1 31 31 LYS N N 31 119.962 119.962 119.434 0.528 25156 3827 1 6 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.466 0.194 25156 3828 1 6 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.346 -0.846 25156 3829 1 6 . 1 1 31 31 LYS CB C 31 35.700 35.700 35.148 0.553 25156 3830 1 6 . 1 1 31 31 LYS H H 31 9.499 9.499 8.164 1.335 25156 3831 1 6 . 1 1 32 32 GLY N N 32 107.471 107.471 110.544 -3.073 25156 3832 1 6 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.760 1.140 25156 3833 1 6 . 1 1 32 32 GLY H H 32 8.548 8.548 8.210 0.338 25156 3834 1 6 . 1 1 33 33 GLU N N 33 124.823 124.823 119.426 5.397 25156 3835 1 6 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.029 -0.019 25156 3836 1 6 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.953 -0.552 25156 3837 1 6 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.630 -0.830 25156 3838 1 6 . 1 1 33 33 GLU H H 33 9.049 9.049 8.812 0.237 25156 3839 1 6 . 1 1 34 34 THR N N 34 116.008 116.008 115.505 0.503 25156 3840 1 6 . 1 1 34 34 THR HA H 34 4.150 4.150 3.900 0.250 25156 3841 1 6 . 1 1 34 34 THR CA C 34 66.200 66.200 65.644 0.556 25156 3842 1 6 . 1 1 34 34 THR CB C 34 68.500 68.500 68.401 0.099 25156 3843 1 6 . 1 1 34 34 THR H H 34 7.772 7.772 8.516 -0.744 25156 3844 1 6 . 1 1 35 35 LYS N N 35 119.081 119.081 120.919 -1.838 25156 3845 1 6 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.183 -0.533 25156 3846 1 6 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.016 0.384 25156 3847 1 6 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.877 -0.577 25156 3848 1 6 . 1 1 35 35 LYS H H 35 6.838 6.838 7.441 -0.603 25156 3849 1 6 . 1 1 36 36 ILE N N 36 116.476 116.476 116.660 -0.184 25156 3850 1 6 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.054 -0.314 25156 3851 1 6 . 1 1 36 36 ILE CA C 36 63.800 63.800 63.172 0.628 25156 3852 1 6 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.916 0.184 25156 3853 1 6 . 1 1 36 36 ILE H H 36 7.020 7.020 7.441 -0.421 25156 3854 1 6 . 1 1 37 37 ILE N N 37 119.272 119.272 122.543 -3.271 25156 3855 1 6 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.577 0.113 25156 3856 1 6 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.395 -0.895 25156 3857 1 6 . 1 1 37 37 ILE CB C 37 39.400 39.400 37.950 1.450 25156 3858 1 6 . 1 1 37 37 ILE H H 37 8.507 8.507 8.779 -0.272 25156 3859 1 6 . 1 1 38 38 LEU N N 38 118.624 118.624 119.389 -0.765 25156 3860 1 6 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.013 0.257 25156 3861 1 6 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.023 -0.423 25156 3862 1 6 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.576 -1.476 25156 3863 1 6 . 1 1 38 38 LEU H H 38 8.363 8.363 7.862 0.501 25156 3864 1 6 . 1 1 39 39 GLU N N 39 118.123 118.123 118.420 -0.297 25156 3865 1 6 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.005 -0.005 25156 3866 1 6 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.648 0.252 25156 3867 1 6 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.291 -1.291 25156 3868 1 6 . 1 1 39 39 GLU H H 39 8.663 8.663 8.314 0.349 25156 3869 1 6 . 1 1 40 40 ARG N N 40 120.230 120.230 118.730 1.500 25156 3870 1 6 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.062 0.128 25156 3871 1 6 . 1 1 40 40 ARG CA C 40 58.500 58.500 58.661 -0.161 25156 3872 1 6 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.790 -0.290 25156 3873 1 6 . 1 1 40 40 ARG H H 40 7.977 7.977 8.719 -0.742 25156 3874 1 6 . 1 1 41 41 SER N N 41 114.690 114.690 115.277 -0.587 25156 3875 1 6 . 1 1 41 41 SER HA H 41 4.210 4.210 4.294 -0.084 25156 3876 1 6 . 1 1 41 41 SER CA C 41 61.900 61.900 61.740 0.160 25156 3877 1 6 . 1 1 41 41 SER CB C 41 63.000 63.000 62.936 0.064 25156 3878 1 6 . 1 1 41 41 SER H H 41 7.975 7.975 7.842 0.133 25156 3879 1 6 . 1 1 42 42 ALA N N 42 124.202 124.202 123.696 0.506 25156 3880 1 6 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.117 -0.447 25156 3881 1 6 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.130 -0.430 25156 3882 1 6 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.266 -1.066 25156 3883 1 6 . 1 1 42 42 ALA H H 42 8.578 8.578 7.881 0.697 25156 3884 1 6 . 1 1 43 43 LYS N N 43 121.324 121.324 118.493 2.831 25156 3885 1 6 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.969 0.091 25156 3886 1 6 . 1 1 43 43 LYS CA C 43 58.400 58.400 60.108 -1.708 25156 3887 1 6 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.227 -0.927 25156 3888 1 6 . 1 1 43 43 LYS H H 43 7.958 7.958 7.865 0.093 25156 3889 1 6 . 1 1 44 44 ASP N N 44 118.176 118.176 119.760 -1.584 25156 3890 1 6 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.396 -0.006 25156 3891 1 6 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.346 -0.146 25156 3892 1 6 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.173 -0.873 25156 3893 1 6 . 1 1 44 44 ASP H H 44 8.111 8.111 7.558 0.553 25156 3894 1 6 . 1 1 45 45 ILE N N 45 117.643 117.643 120.100 -2.457 25156 3895 1 6 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.782 0.038 25156 3896 1 6 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.462 0.238 25156 3897 1 6 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.823 -0.223 25156 3898 1 6 . 1 1 45 45 ILE H H 45 7.417 7.417 7.513 -0.096 25156 3899 1 6 . 1 1 46 46 THR N N 46 116.310 116.310 115.581 0.729 25156 3900 1 6 . 1 1 46 46 THR HA H 46 4.160 4.160 3.862 0.298 25156 3901 1 6 . 1 1 46 46 THR CA C 46 66.200 66.200 67.417 -1.217 25156 3902 1 6 . 1 1 46 46 THR CB C 46 67.500 67.500 68.319 -0.819 25156 3903 1 6 . 1 1 46 46 THR H H 46 7.702 7.702 8.209 -0.507 25156 3904 1 6 . 1 1 47 47 ASP N N 47 121.550 121.550 120.810 0.740 25156 3905 1 6 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.335 0.125 25156 3906 1 6 . 1 1 47 47 ASP CA C 47 57.000 57.000 57.357 -0.357 25156 3907 1 6 . 1 1 47 47 ASP CB C 47 39.400 39.400 41.055 -1.655 25156 3908 1 6 . 1 1 47 47 ASP H H 47 9.154 9.154 8.379 0.775 25156 3909 1 6 . 1 1 48 48 GLU N N 48 122.105 122.105 119.981 2.124 25156 3910 1 6 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.079 0.191 25156 3911 1 6 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.406 -0.906 25156 3912 1 6 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.177 -0.177 25156 3913 1 6 . 1 1 48 48 GLU H H 48 7.812 7.812 7.733 0.079 25156 3914 1 6 . 1 1 49 49 ILE N N 49 119.770 119.770 118.525 1.245 25156 3915 1 6 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.707 -0.127 25156 3916 1 6 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.874 1.826 25156 3917 1 6 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.578 0.323 25156 3918 1 6 . 1 1 49 49 ILE H H 49 8.655 8.655 7.347 1.308 25156 3919 1 6 . 1 1 50 50 ASN N N 50 118.094 118.094 118.443 -0.349 25156 3920 1 6 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.299 0.161 25156 3921 1 6 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.597 -0.697 25156 3922 1 6 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.601 -1.601 25156 3923 1 6 . 1 1 50 50 ASN H H 50 8.399 8.399 7.719 0.680 25156 3924 1 6 . 1 1 51 51 LYS N N 51 122.985 122.985 121.153 1.832 25156 3925 1 6 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.043 0.057 25156 3926 1 6 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.675 -0.175 25156 3927 1 6 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.426 -0.726 25156 3928 1 6 . 1 1 51 51 LYS H H 51 7.949 7.949 7.764 0.185 25156 3929 1 6 . 1 1 52 52 ILE N N 52 121.342 121.342 118.959 2.383 25156 3930 1 6 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.963 -0.173 25156 3931 1 6 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.376 2.424 25156 3932 1 6 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.620 1.880 25156 3933 1 6 . 1 1 52 52 ILE H H 52 8.584 8.584 8.015 0.569 25156 3934 1 6 . 1 1 53 53 LYS N N 53 118.268 118.268 121.000 -2.732 25156 3935 1 6 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.671 0.249 25156 3936 1 6 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.628 0.772 25156 3937 1 6 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.948 0.152 25156 3938 1 6 . 1 1 53 53 LYS H H 53 8.548 8.548 8.122 0.426 25156 3939 1 6 . 1 1 54 54 LYS N N 54 122.485 122.485 118.810 3.675 25156 3940 1 6 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.921 0.239 25156 3941 1 6 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.833 -0.933 25156 3942 1 6 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.291 -0.492 25156 3943 1 6 . 1 1 54 54 LYS H H 54 7.855 7.855 8.082 -0.227 25156 3944 1 6 . 1 1 55 55 ASP N N 55 120.775 120.775 119.598 1.177 25156 3945 1 6 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.415 -0.075 25156 3946 1 6 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.244 -0.344 25156 3947 1 6 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.824 -0.924 25156 3948 1 6 . 1 1 55 55 ASP H H 55 8.813 8.813 8.127 0.686 25156 3949 1 6 . 1 1 56 56 ALA N N 56 123.205 123.205 121.875 1.330 25156 3950 1 6 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.019 -0.499 25156 3951 1 6 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.333 -0.233 25156 3952 1 6 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.674 -1.574 25156 3953 1 6 . 1 1 56 56 ALA H H 56 9.101 9.101 8.621 0.479 25156 3954 1 6 . 1 1 57 57 ALA N N 57 121.461 121.461 120.746 0.715 25156 3955 1 6 . 1 1 57 57 ALA HA H 57 4.240 4.240 4.014 0.226 25156 3956 1 6 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.603 0.197 25156 3957 1 6 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.348 -1.048 25156 3958 1 6 . 1 1 57 57 ALA H H 57 7.770 7.770 8.347 -0.577 25156 3959 1 6 . 1 1 58 58 ASP N N 58 119.548 119.548 119.802 -0.254 25156 3960 1 6 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.427 -0.037 25156 3961 1 6 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.470 -0.070 25156 3962 1 6 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.812 -1.012 25156 3963 1 6 . 1 1 58 58 ASP H H 58 8.443 8.443 8.363 0.080 25156 3964 1 6 . 1 1 59 59 ASN N N 59 115.622 115.622 115.059 0.563 25156 3965 1 6 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.721 -0.071 25156 3966 1 6 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.924 0.076 25156 3967 1 6 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.616 0.584 25156 3968 1 6 . 1 1 59 59 ASN H H 59 7.500 7.500 7.640 -0.140 25156 3969 1 6 . 1 1 60 60 ASN N N 60 116.019 116.019 115.010 1.009 25156 3970 1 6 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.334 -0.004 25156 3971 1 6 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.025 0.275 25156 3972 1 6 . 1 1 60 60 ASN CB C 60 36.700 36.700 37.276 -0.576 25156 3973 1 6 . 1 1 60 60 ASN H H 60 7.930 7.930 7.803 0.127 25156 3974 1 6 . 1 1 61 61 VAL N N 61 119.072 119.072 117.067 2.005 25156 3975 1 6 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.093 -0.133 25156 3976 1 6 . 1 1 61 61 VAL CA C 61 61.500 61.500 61.609 -0.109 25156 3977 1 6 . 1 1 61 61 VAL CB C 61 32.600 32.600 33.013 -0.413 25156 3978 1 6 . 1 1 61 61 VAL H H 61 8.245 8.245 7.882 0.363 25156 3979 1 6 . 1 1 62 62 ASN N N 62 125.564 125.564 122.979 2.585 25156 3980 1 6 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.688 -0.048 25156 3981 1 6 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.830 -1.730 25156 3982 1 6 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.319 0.281 25156 3983 1 6 . 1 1 62 62 ASN H H 62 8.524 8.524 8.704 -0.180 25156 3984 1 6 . 1 1 63 63 PHE N N 63 125.711 125.711 126.817 -1.106 25156 3985 1 6 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.529 -0.829 25156 3986 1 6 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.465 -1.165 25156 3987 1 6 . 1 1 63 63 PHE H H 63 8.904 8.904 8.320 0.584 25156 3988 1 6 . 1 1 64 64 ALA N N 64 121.816 121.816 121.441 0.375 25156 3989 1 6 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.927 0.273 25156 3990 1 6 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.453 -0.653 25156 3991 1 6 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.926 -0.226 25156 3992 1 6 . 1 1 64 64 ALA H H 64 8.492 8.492 8.827 -0.335 25156 3993 1 6 . 1 1 65 65 ALA N N 65 118.873 118.873 121.732 -2.859 25156 3994 1 6 . 1 1 65 65 ALA HA H 65 4.180 4.180 3.991 0.189 25156 3995 1 6 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.171 -0.771 25156 3996 1 6 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.118 0.382 25156 3997 1 6 . 1 1 65 65 ALA H H 65 7.984 7.984 7.300 0.684 25156 3998 1 6 . 1 1 66 66 PHE N N 66 115.587 115.587 115.353 0.234 25156 3999 1 6 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.062 -0.002 25156 4000 1 6 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.848 -0.148 25156 4001 1 6 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.394 0.106 25156 4002 1 6 . 1 1 66 66 PHE H H 66 7.795 7.795 8.176 -0.381 25156 4003 1 6 . 1 1 67 67 THR N N 67 109.477 109.477 111.825 -2.348 25156 4004 1 6 . 1 1 67 67 THR HA H 67 4.330 4.330 4.110 0.220 25156 4005 1 6 . 1 1 67 67 THR CA C 67 61.900 61.900 64.133 -2.233 25156 4006 1 6 . 1 1 67 67 THR CB C 67 69.000 69.000 69.393 -0.393 25156 4007 1 6 . 1 1 67 67 THR H H 67 7.563 7.563 7.653 -0.090 25156 4008 1 6 . 1 1 68 68 ASP N N 68 122.883 122.883 122.302 0.581 25156 4009 1 6 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.129 0.521 25156 4010 1 6 . 1 1 68 68 ASP CA C 68 54.600 54.600 54.940 -0.340 25156 4011 1 6 . 1 1 68 68 ASP CB C 68 40.900 40.900 38.731 2.169 25156 4012 1 6 . 1 1 68 68 ASP H H 68 7.969 7.969 8.226 -0.257 25156 4013 1 6 . 1 1 69 69 SER N N 69 115.778 115.778 115.042 0.736 25156 4014 1 6 . 1 1 69 69 SER HA H 69 4.410 4.410 4.266 0.144 25156 4015 1 6 . 1 1 69 69 SER CA C 69 58.500 58.500 58.626 -0.126 25156 4016 1 6 . 1 1 69 69 SER CB C 69 63.400 63.400 64.168 -0.768 25156 4017 1 6 . 1 1 69 69 SER H H 69 8.277 8.277 7.795 0.482 25156 4018 1 6 . 1 1 70 70 GLU N N 70 122.040 122.040 125.056 -3.016 25156 4019 1 6 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.169 0.191 25156 4020 1 6 . 1 1 70 70 GLU CA C 70 56.600 56.600 57.872 -1.272 25156 4021 1 6 . 1 1 70 70 GLU CB C 70 29.300 29.300 29.002 0.298 25156 4022 1 6 . 1 1 70 70 GLU H H 70 8.464 8.464 8.689 -0.225 25156 4023 1 6 . 1 1 71 71 THR N N 71 113.162 113.162 119.609 -6.447 25156 4024 1 6 . 1 1 71 71 THR HA H 71 4.320 4.320 4.415 -0.095 25156 4025 1 6 . 1 1 71 71 THR CA C 71 61.900 61.900 61.936 -0.036 25156 4026 1 6 . 1 1 71 71 THR CB C 71 69.200 69.200 70.946 -1.746 25156 4027 1 6 . 1 1 71 71 THR H H 71 8.060 8.060 8.028 0.032 25156 4028 1 6 . 1 1 72 72 GLY N N 72 111.140 111.140 116.820 -5.680 25156 4029 1 6 . 1 1 72 72 GLY CA C 72 45.200 45.200 46.032 -0.832 25156 4030 1 6 . 1 1 72 72 GLY H H 72 8.412 8.412 8.592 -0.180 25156 4031 1 6 . 1 1 73 73 SER N N 73 115.757 115.757 115.531 0.226 25156 4032 1 6 . 1 1 73 73 SER HA H 73 4.410 4.410 4.580 -0.170 25156 4033 1 6 . 1 1 73 73 SER CA C 73 58.400 58.400 57.136 1.264 25156 4034 1 6 . 1 1 73 73 SER CB C 73 63.400 63.400 64.622 -1.222 25156 4035 1 6 . 1 1 73 73 SER H H 73 8.237 8.237 8.272 -0.035 25156 4036 1 6 . 1 1 75 75 VAL N N 75 118.866 118.866 126.242 -7.376 25156 4037 1 6 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.055 0.095 25156 4038 1 6 . 1 1 75 75 VAL CA C 75 61.900 61.900 62.372 -0.472 25156 4039 1 6 . 1 1 75 75 VAL CB C 75 32.600 32.600 32.447 0.153 25156 4040 1 6 . 1 1 75 75 VAL H H 75 7.997 7.997 8.539 -0.542 25156 4041 1 6 . 1 1 76 76 SER N N 76 117.059 117.059 110.107 6.952 25156 4042 1 6 . 1 1 76 76 SER HA H 76 4.280 4.280 3.993 0.287 25156 4043 1 6 . 1 1 76 76 SER CA C 76 58.600 58.600 59.463 -0.863 25156 4044 1 6 . 1 1 76 76 SER CB C 76 63.400 63.400 62.339 1.061 25156 4045 1 6 . 1 1 76 76 SER H H 76 8.183 8.183 8.366 -0.183 25156 4046 1 6 . 1 1 77 77 GLU N N 77 121.924 121.924 118.714 3.210 25156 4047 1 6 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.041 0.279 25156 4048 1 6 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.653 -1.753 25156 4049 1 6 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.641 0.059 25156 4050 1 6 . 1 1 77 77 GLU H H 77 8.302 8.302 8.416 -0.114 25156 4051 1 6 . 1 1 78 78 ASN N N 78 120.401 120.401 118.585 1.816 25156 4052 1 6 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.684 0.076 25156 4053 1 6 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.092 -0.192 25156 4054 1 6 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.843 0.257 25156 4055 1 6 . 1 1 78 78 ASN H H 78 8.308 8.308 7.920 0.388 25156 4056 1 6 . 1 1 79 79 SER CA C 79 58.300 58.300 61.257 -2.957 25156 4057 1 6 . 1 1 79 79 SER CB C 79 62.300 62.300 63.294 -0.994 25156 4058 1 6 . 1 1 80 80 PHE N N 80 121.812 121.812 123.902 -2.090 25156 4059 1 6 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.264 -0.044 25156 4060 1 6 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.304 -0.104 25156 4061 1 6 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.918 -0.718 25156 4062 1 6 . 1 1 80 80 PHE H H 80 8.280 8.280 8.309 -0.029 25156 4063 1 6 . 1 1 81 81 ILE N N 81 119.199 119.199 118.312 0.887 25156 4064 1 6 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.865 0.365 25156 4065 1 6 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.776 -0.176 25156 4066 1 6 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.504 0.196 25156 4067 1 6 . 1 1 81 81 ILE H H 81 7.483 7.483 7.340 0.143 25156 4068 1 6 . 1 1 82 82 LEU N N 82 117.108 117.108 118.691 -1.583 25156 4069 1 6 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.824 0.296 25156 4070 1 6 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.582 0.018 25156 4071 1 6 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.324 1.376 25156 4072 1 6 . 1 1 82 82 LEU H H 82 7.464 7.464 7.248 0.216 25156 4073 1 6 . 1 1 83 83 GLU N N 83 117.300 117.300 119.180 -1.880 25156 4074 1 6 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.989 -0.319 25156 4075 1 6 . 1 1 83 83 GLU CA C 83 58.900 58.900 58.998 -0.097 25156 4076 1 6 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.881 -0.781 25156 4077 1 6 . 1 1 83 83 GLU H H 83 8.093 8.093 8.686 -0.593 25156 4078 1 6 . 1 1 84 84 ALA N N 84 122.149 122.149 122.289 -0.140 25156 4079 1 6 . 1 1 84 84 ALA HA H 84 3.850 3.850 3.894 -0.044 25156 4080 1 6 . 1 1 84 84 ALA CA C 84 55.000 55.000 55.116 -0.116 25156 4081 1 6 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.106 0.294 25156 4082 1 6 . 1 1 84 84 ALA H H 84 8.431 8.431 8.136 0.295 25156 4083 1 6 . 1 1 85 85 LYS N N 85 116.458 116.458 117.843 -1.385 25156 4084 1 6 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.956 0.004 25156 4085 1 6 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.591 1.109 25156 4086 1 6 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.038 -0.238 25156 4087 1 6 . 1 1 85 85 LYS H H 85 8.122 8.122 7.426 0.696 25156 4088 1 6 . 1 1 86 86 VAL N N 86 122.206 122.206 119.479 2.727 25156 4089 1 6 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.704 -0.364 25156 4090 1 6 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.396 1.204 25156 4091 1 6 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.099 0.301 25156 4092 1 6 . 1 1 86 86 VAL H H 86 8.116 8.116 7.585 0.531 25156 4093 1 6 . 1 1 87 87 ARG N N 87 122.354 122.354 119.381 2.973 25156 4094 1 6 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.071 -0.041 25156 4095 1 6 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.552 0.848 25156 4096 1 6 . 1 1 87 87 ARG CB C 87 30.800 30.800 28.877 1.923 25156 4097 1 6 . 1 1 87 87 ARG H H 87 8.768 8.768 7.396 1.372 25156 4098 1 6 . 1 1 88 88 ALA N N 88 119.659 119.659 121.699 -2.040 25156 4099 1 6 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.316 -0.416 25156 4100 1 6 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.931 -0.131 25156 4101 1 6 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.310 -0.110 25156 4102 1 6 . 1 1 88 88 ALA H H 88 8.789 8.789 7.960 0.829 25156 4103 1 6 . 1 1 89 89 THR N N 89 105.646 105.646 115.047 -9.401 25156 4104 1 6 . 1 1 89 89 THR HA H 89 4.310 4.310 4.091 0.219 25156 4105 1 6 . 1 1 89 89 THR CA C 89 65.600 65.600 66.737 -1.137 25156 4106 1 6 . 1 1 89 89 THR CB C 89 67.900 67.900 68.495 -0.594 25156 4107 1 6 . 1 1 89 89 THR H H 89 8.063 8.063 8.324 -0.261 25156 4108 1 6 . 1 1 90 90 THR N N 90 120.262 120.262 119.303 0.959 25156 4109 1 6 . 1 1 90 90 THR HA H 90 4.370 4.370 4.106 0.264 25156 4110 1 6 . 1 1 90 90 THR CA C 90 67.000 67.000 67.422 -0.422 25156 4111 1 6 . 1 1 90 90 THR CB C 90 68.200 68.200 68.541 -0.341 25156 4112 1 6 . 1 1 90 90 THR H H 90 8.021 8.021 8.259 -0.238 25156 4113 1 6 . 1 1 91 91 VAL N N 91 119.100 119.100 118.712 0.388 25156 4114 1 6 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.868 0.152 25156 4115 1 6 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.857 -0.557 25156 4116 1 6 . 1 1 91 91 VAL CB C 91 30.900 30.900 30.777 0.123 25156 4117 1 6 . 1 1 91 91 VAL H H 91 7.653 7.653 7.346 0.307 25156 4118 1 6 . 1 1 92 92 ALA N N 92 124.800 124.800 122.070 2.730 25156 4119 1 6 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.062 0.238 25156 4120 1 6 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.152 -0.552 25156 4121 1 6 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.115 1.385 25156 4122 1 6 . 1 1 92 92 ALA H H 92 8.189 8.189 7.765 0.424 25156 4123 1 6 . 1 1 93 93 GLU N N 93 120.300 120.300 119.384 0.916 25156 4124 1 6 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.949 -0.169 25156 4125 1 6 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.807 0.393 25156 4126 1 6 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.497 -0.797 25156 4127 1 6 . 1 1 93 93 GLU H H 93 8.710 8.710 8.709 0.001 25156 4128 1 6 . 1 1 94 94 LYS N N 94 119.247 119.247 119.433 -0.186 25156 4129 1 6 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.036 0.064 25156 4130 1 6 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.374 0.126 25156 4131 1 6 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.335 -0.835 25156 4132 1 6 . 1 1 94 94 LYS H H 94 7.575 7.575 7.511 0.064 25156 4133 1 6 . 1 1 95 95 PHE N N 95 121.711 121.711 120.092 1.619 25156 4134 1 6 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.127 0.483 25156 4135 1 6 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.806 -2.106 25156 4136 1 6 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.262 -0.262 25156 4137 1 6 . 1 1 95 95 PHE H H 95 7.467 7.467 7.720 -0.253 25156 4138 1 6 . 1 1 96 96 VAL N N 96 119.674 119.674 119.434 0.240 25156 4139 1 6 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.687 -0.557 25156 4140 1 6 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.361 0.539 25156 4141 1 6 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.966 -0.966 25156 4142 1 6 . 1 1 96 96 VAL H H 96 8.186 8.186 8.196 -0.010 25156 4143 1 6 . 1 1 97 97 THR N N 97 117.086 117.086 115.775 1.311 25156 4144 1 6 . 1 1 97 97 THR HA H 97 4.300 4.300 3.976 0.324 25156 4145 1 6 . 1 1 97 97 THR CA C 97 65.600 65.600 66.658 -1.058 25156 4146 1 6 . 1 1 97 97 THR CB C 97 68.300 68.300 68.750 -0.450 25156 4147 1 6 . 1 1 97 97 THR H H 97 8.470 8.470 8.276 0.194 25156 4148 1 6 . 1 1 98 98 ALA N N 98 126.429 126.429 124.455 1.974 25156 4149 1 6 . 1 1 98 98 ALA HA H 98 4.170 4.170 3.972 0.198 25156 4150 1 6 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.973 0.127 25156 4151 1 6 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.958 -1.258 25156 4152 1 6 . 1 1 98 98 ALA H H 98 7.842 7.842 8.461 -0.619 25156 4153 1 6 . 1 1 99 99 ILE N N 99 121.241 121.241 119.102 2.139 25156 4154 1 6 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.467 0.013 25156 4155 1 6 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.628 -1.628 25156 4156 1 6 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.872 -2.672 25156 4157 1 6 . 1 1 99 99 ILE H H 99 7.937 7.937 7.716 0.221 25156 4158 1 6 . 1 1 100 100 GLU N N 100 118.069 118.069 118.980 -0.911 25156 4159 1 6 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.974 -0.254 25156 4160 1 6 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.974 0.026 25156 4161 1 6 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.352 -0.052 25156 4162 1 6 . 1 1 100 100 GLU H H 100 8.458 8.458 7.810 0.648 25156 4163 1 6 . 1 1 101 101 GLY N N 101 107.210 107.210 106.698 0.512 25156 4164 1 6 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.689 1.211 25156 4165 1 6 . 1 1 101 101 GLY H H 101 8.411 8.411 7.296 1.115 25156 4166 1 6 . 1 1 102 102 GLU N N 102 121.134 121.134 122.215 -1.081 25156 4167 1 6 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.859 0.321 25156 4168 1 6 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.945 -1.145 25156 4169 1 6 . 1 1 102 102 GLU CB C 102 28.700 28.700 28.956 -0.256 25156 4170 1 6 . 1 1 102 102 GLU H H 102 8.344 8.344 8.844 -0.500 25156 4171 1 6 . 1 1 103 103 ALA N N 103 121.862 121.862 120.041 1.821 25156 4172 1 6 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.860 0.190 25156 4173 1 6 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.568 1.432 25156 4174 1 6 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.834 -2.334 25156 4175 1 6 . 1 1 103 103 ALA H H 103 9.325 9.325 7.679 1.646 25156 4176 1 6 . 1 1 104 104 THR N N 104 110.782 110.782 111.942 -1.160 25156 4177 1 6 . 1 1 104 104 THR HA H 104 4.330 4.330 3.767 0.563 25156 4178 1 6 . 1 1 104 104 THR CA C 104 67.000 67.000 65.085 1.915 25156 4179 1 6 . 1 1 104 104 THR CB C 104 68.100 68.100 67.267 0.833 25156 4180 1 6 . 1 1 104 104 THR H H 104 7.796 7.796 8.218 -0.422 25156 4181 1 6 . 1 1 105 105 LYS N N 105 123.041 123.041 119.385 3.656 25156 4182 1 6 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.490 -0.440 25156 4183 1 6 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.479 2.721 25156 4184 1 6 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.542 -1.342 25156 4185 1 6 . 1 1 105 105 LYS H H 105 7.728 7.728 8.365 -0.637 25156 4186 1 6 . 1 1 106 106 LEU N N 106 117.015 117.015 119.169 -2.154 25156 4187 1 6 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.803 -0.293 25156 4188 1 6 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.970 -1.770 25156 4189 1 6 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.214 -0.914 25156 4190 1 6 . 1 1 106 106 LEU H H 106 7.768 7.768 7.892 -0.124 25156 4191 1 6 . 1 1 107 107 LYS N N 107 122.173 122.173 119.980 2.193 25156 4192 1 6 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.918 0.002 25156 4193 1 6 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.431 1.470 25156 4194 1 6 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.269 0.231 25156 4195 1 6 . 1 1 107 107 LYS H H 107 7.452 7.452 8.334 -0.882 25156 4196 1 6 . 1 1 108 108 LYS N N 108 114.243 114.243 115.759 -1.516 25156 4197 1 6 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.293 0.307 25156 4198 1 6 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.434 -0.633 25156 4199 1 6 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.103 -0.304 25156 4200 1 6 . 1 1 108 108 LYS H H 108 8.735 8.735 7.512 1.223 25156 4201 1 6 . 1 1 109 109 THR N N 109 106.918 106.918 111.775 -4.857 25156 4202 1 6 . 1 1 109 109 THR HA H 109 4.410 4.410 4.037 0.373 25156 4203 1 6 . 1 1 109 109 THR CA C 109 61.500 61.500 60.293 1.207 25156 4204 1 6 . 1 1 109 109 THR CB C 109 69.700 69.700 65.904 3.796 25156 4205 1 6 . 1 1 109 109 THR H H 109 7.530 7.530 7.860 -0.330 25156 4206 1 6 . 1 1 110 110 GLY N N 110 111.753 111.753 111.940 -0.187 25156 4207 1 6 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.577 -1.377 25156 4208 1 6 . 1 1 110 110 GLY H H 110 9.066 9.066 7.943 1.123 25156 4209 1 6 . 1 1 111 111 SER N N 111 118.638 118.638 116.223 2.415 25156 4210 1 6 . 1 1 111 111 SER HA H 111 4.930 4.930 4.558 0.372 25156 4211 1 6 . 1 1 111 111 SER CA C 111 56.600 56.600 57.538 -0.938 25156 4212 1 6 . 1 1 111 111 SER CB C 111 66.400 66.400 65.028 1.372 25156 4213 1 6 . 1 1 111 111 SER H H 111 8.709 8.709 7.804 0.905 25156 4214 1 6 . 1 1 112 112 SER N N 112 116.928 116.928 118.472 -1.544 25156 4215 1 6 . 1 1 112 112 SER CA C 112 61.200 61.200 61.711 -0.511 25156 4216 1 6 . 1 1 112 112 SER CB C 112 62.500 62.500 63.097 -0.597 25156 4217 1 6 . 1 1 112 112 SER H H 112 9.082 9.082 8.925 0.157 25156 4218 1 6 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.141 0.159 25156 4219 1 6 . 1 1 114 114 GLU N N 114 122.746 122.746 122.348 0.398 25156 4220 1 6 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.077 -0.327 25156 4221 1 6 . 1 1 114 114 GLU CA C 114 59.000 59.000 58.493 0.507 25156 4222 1 6 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.448 -0.548 25156 4223 1 6 . 1 1 114 114 GLU H H 114 7.628 7.628 7.996 -0.368 25156 4224 1 6 . 1 1 115 115 PHE N N 115 118.328 118.328 117.661 0.667 25156 4225 1 6 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.219 0.201 25156 4226 1 6 . 1 1 115 115 PHE CA C 115 61.500 61.500 61.502 -0.002 25156 4227 1 6 . 1 1 115 115 PHE CB C 115 36.900 36.900 38.935 -2.035 25156 4228 1 6 . 1 1 115 115 PHE H H 115 7.102 7.102 7.760 -0.658 25156 4229 1 6 . 1 1 116 116 SER N N 116 115.349 115.349 114.251 1.098 25156 4230 1 6 . 1 1 116 116 SER HA H 116 4.510 4.510 4.490 0.020 25156 4231 1 6 . 1 1 116 116 SER CA C 116 61.700 61.700 60.727 0.973 25156 4232 1 6 . 1 1 116 116 SER CB C 116 62.800 62.800 63.238 -0.438 25156 4233 1 6 . 1 1 116 116 SER H H 116 8.940 8.940 7.823 1.117 25156 4234 1 6 . 1 1 117 117 ALA N N 117 122.730 122.730 125.226 -2.496 25156 4235 1 6 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.028 0.242 25156 4236 1 6 . 1 1 117 117 ALA CA C 117 54.800 54.800 55.251 -0.451 25156 4237 1 6 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.277 -0.877 25156 4238 1 6 . 1 1 117 117 ALA H H 117 7.501 7.501 7.793 -0.292 25156 4239 1 6 . 1 1 118 118 MET N N 118 118.754 118.754 115.945 2.809 25156 4240 1 6 . 1 1 118 118 MET HA H 118 3.950 3.950 4.143 -0.193 25156 4241 1 6 . 1 1 118 118 MET CA C 118 60.300 60.300 59.108 1.192 25156 4242 1 6 . 1 1 118 118 MET CB C 118 31.500 31.500 32.222 -0.722 25156 4243 1 6 . 1 1 118 118 MET H H 118 7.812 7.812 7.800 0.012 25156 4244 1 6 . 1 1 119 119 TYR N N 119 119.385 119.385 119.407 -0.022 25156 4245 1 6 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.305 0.045 25156 4246 1 6 . 1 1 119 119 TYR CA C 119 61.300 61.300 60.838 0.462 25156 4247 1 6 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.777 -1.577 25156 4248 1 6 . 1 1 119 119 TYR H H 119 8.213 8.213 7.524 0.689 25156 4249 1 6 . 1 1 120 120 ASN N N 120 116.665 116.665 119.320 -2.655 25156 4250 1 6 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.394 -0.244 25156 4251 1 6 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.841 0.359 25156 4252 1 6 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.202 -0.702 25156 4253 1 6 . 1 1 120 120 ASN H H 120 8.592 8.592 8.440 0.152 25156 4254 1 6 . 1 1 121 121 MET N N 121 118.788 118.788 118.527 0.261 25156 4255 1 6 . 1 1 121 121 MET HA H 121 4.250 4.250 4.087 0.163 25156 4256 1 6 . 1 1 121 121 MET CA C 121 59.500 59.500 58.462 1.038 25156 4257 1 6 . 1 1 121 121 MET CB C 121 33.800 33.800 31.660 2.140 25156 4258 1 6 . 1 1 121 121 MET H H 121 7.900 7.900 7.827 0.073 25156 4259 1 6 . 1 1 122 122 MET N N 122 118.670 118.670 116.869 1.801 25156 4260 1 6 . 1 1 122 122 MET HA H 122 3.950 3.950 3.848 0.102 25156 4261 1 6 . 1 1 122 122 MET CA C 122 60.300 60.300 58.170 2.130 25156 4262 1 6 . 1 1 122 122 MET CB C 122 33.400 33.400 31.810 1.590 25156 4263 1 6 . 1 1 122 122 MET H H 122 7.813 7.813 7.271 0.542 25156 4264 1 6 . 1 1 123 123 LEU N N 123 118.865 118.865 118.792 0.073 25156 4265 1 6 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.890 0.020 25156 4266 1 6 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.761 -0.262 25156 4267 1 6 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.759 -0.259 25156 4268 1 6 . 1 1 123 123 LEU H H 123 7.941 7.941 7.150 0.791 25156 4269 1 6 . 1 1 124 124 GLU N N 124 121.088 121.088 119.285 1.803 25156 4270 1 6 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.029 -0.079 25156 4271 1 6 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.001 0.299 25156 4272 1 6 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.373 -0.373 25156 4273 1 6 . 1 1 124 124 GLU H H 124 8.398 8.398 7.614 0.784 25156 4274 1 6 . 1 1 125 125 VAL N N 125 112.092 112.092 119.098 -7.006 25156 4275 1 6 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.671 0.329 25156 4276 1 6 . 1 1 125 125 VAL CA C 125 63.100 63.100 64.968 -1.868 25156 4277 1 6 . 1 1 125 125 VAL CB C 125 31.200 31.200 29.934 1.266 25156 4278 1 6 . 1 1 125 125 VAL H H 125 7.682 7.682 8.201 -0.519 25156 4279 1 6 . 1 1 126 126 SER N N 126 116.396 116.396 116.935 -0.539 25156 4280 1 6 . 1 1 126 126 SER CA C 126 63.300 63.300 62.177 1.123 25156 4281 1 6 . 1 1 126 126 SER CB C 126 62.800 62.800 62.859 -0.059 25156 4282 1 6 . 1 1 126 126 SER H H 126 7.410 7.410 7.532 -0.122 25156 4283 1 6 . 1 1 127 127 GLY N N 127 107.199 107.199 109.759 -2.560 25156 4284 1 6 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.734 0.366 25156 4285 1 6 . 1 1 127 127 GLY H H 127 7.321 7.321 7.938 -0.617 25156 4286 1 6 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.141 0.169 25156 4287 1 6 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.569 -0.769 25156 4288 1 6 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.434 0.566 25156 4289 1 6 . 1 1 129 129 LEU N N 129 113.172 113.172 117.345 -4.173 25156 4290 1 6 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.917 -0.017 25156 4291 1 6 . 1 1 129 129 LEU CA C 129 57.400 57.400 58.299 -0.899 25156 4292 1 6 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.888 -0.888 25156 4293 1 6 . 1 1 129 129 LEU H H 129 6.913 6.913 8.154 -1.241 25156 4294 1 6 . 1 1 130 130 GLU N N 130 121.331 121.331 118.937 2.394 25156 4295 1 6 . 1 1 130 130 GLU HA H 130 4.120 4.120 3.913 0.207 25156 4296 1 6 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.380 -0.080 25156 4297 1 6 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.534 -1.034 25156 4298 1 6 . 1 1 130 130 GLU H H 130 8.203 8.203 8.153 0.050 25156 4299 1 6 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.032 -0.062 25156 4300 1 6 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.845 -0.345 25156 4301 1 6 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.454 -0.254 25156 4302 1 6 . 1 1 132 132 LEU N N 132 115.804 115.804 118.146 -2.342 25156 4303 1 6 . 1 1 132 132 LEU HA H 132 3.910 3.910 3.633 0.277 25156 4304 1 6 . 1 1 132 132 LEU CA C 132 53.100 53.100 55.182 -2.082 25156 4305 1 6 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.559 -1.359 25156 4306 1 6 . 1 1 132 132 LEU H H 132 6.977 6.977 7.326 -0.349 25156 4307 1 6 . 1 1 133 133 GLY N N 133 105.653 105.653 105.930 -0.277 25156 4308 1 6 . 1 1 133 133 GLY CA C 133 45.100 45.100 45.060 0.039 25156 4309 1 6 . 1 1 133 133 GLY H H 133 7.484 7.484 7.149 0.335 25156 4310 1 6 . 1 1 134 134 VAL CA C 134 62.900 62.900 61.814 1.086 25156 4311 1 6 . 1 1 134 134 VAL CB C 134 31.800 31.800 32.221 -0.421 25156 4312 1 6 . 1 1 137 137 MET CA C 137 58.100 58.100 55.316 2.784 25156 4313 1 6 . 1 1 138 138 THR N N 138 115.359 115.359 112.175 3.184 25156 4314 1 6 . 1 1 138 138 THR CA C 138 67.100 67.100 64.844 2.256 25156 4315 1 6 . 1 1 138 138 THR H H 138 9.225 9.225 8.283 0.942 25156 4316 1 6 . 1 1 139 139 LYS N N 139 123.109 123.109 120.441 2.668 25156 4317 1 6 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.084 0.116 25156 4318 1 6 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.342 -1.442 25156 4319 1 6 . 1 1 139 139 LYS CB C 139 31.600 31.600 31.724 -0.124 25156 4320 1 6 . 1 1 139 139 LYS H H 139 8.172 8.172 8.269 -0.097 25156 4321 1 6 . 1 1 140 140 THR N N 140 115.472 115.472 116.976 -1.504 25156 4322 1 6 . 1 1 140 140 THR HA H 140 4.000 4.000 4.161 -0.161 25156 4323 1 6 . 1 1 140 140 THR CA C 140 67.000 67.000 66.451 0.549 25156 4324 1 6 . 1 1 140 140 THR CB C 140 68.200 68.200 68.589 -0.389 25156 4325 1 6 . 1 1 140 140 THR H H 140 8.063 8.063 7.608 0.455 25156 4326 1 6 . 1 1 141 141 VAL N N 141 121.319 121.319 121.429 -0.110 25156 4327 1 6 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.657 -0.027 25156 4328 1 6 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.392 0.808 25156 4329 1 6 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.601 -0.101 25156 4330 1 6 . 1 1 141 141 VAL H H 141 7.753 7.753 7.506 0.247 25156 4331 1 6 . 1 1 142 142 THR N N 142 114.753 114.753 115.657 -0.904 25156 4332 1 6 . 1 1 142 142 THR HA H 142 4.380 4.380 4.206 0.174 25156 4333 1 6 . 1 1 142 142 THR CA C 142 65.900 65.900 66.317 -0.417 25156 4334 1 6 . 1 1 142 142 THR CB C 142 67.800 67.800 68.393 -0.593 25156 4335 1 6 . 1 1 142 142 THR H H 142 8.965 8.965 8.301 0.664 25156 4336 1 6 . 1 1 143 143 ASP N N 143 123.699 123.699 122.276 1.423 25156 4337 1 6 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.423 -0.013 25156 4338 1 6 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.079 -0.279 25156 4339 1 6 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.406 -1.406 25156 4340 1 6 . 1 1 143 143 ASP H H 143 9.254 9.254 8.375 0.879 25156 4341 1 6 . 1 1 144 144 ALA N N 144 122.856 122.856 120.961 1.895 25156 4342 1 6 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.163 0.177 25156 4343 1 6 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.661 0.039 25156 4344 1 6 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.523 0.677 25156 4345 1 6 . 1 1 144 144 ALA H H 144 7.668 7.668 7.433 0.235 25156 4346 1 6 . 1 1 145 145 ALA N N 145 119.307 119.307 120.028 -0.721 25156 4347 1 6 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.192 0.348 25156 4348 1 6 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.504 -1.804 25156 4349 1 6 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.480 -0.280 25156 4350 1 6 . 1 1 145 145 ALA H H 145 7.718 7.718 7.794 -0.076 25156 4351 1 6 . 1 1 146 146 GLU N N 146 115.837 115.837 117.992 -2.155 25156 4352 1 6 . 1 1 146 146 GLU HA H 146 4.190 4.190 3.974 0.216 25156 4353 1 6 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.822 -1.522 25156 4354 1 6 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.580 -0.480 25156 4355 1 6 . 1 1 146 146 GLU H H 146 7.491 7.491 7.888 -0.397 25156 4356 1 6 . 1 1 147 147 GLN N N 147 115.066 115.066 116.313 -1.247 25156 4357 1 6 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.292 -0.092 25156 4358 1 6 . 1 1 147 147 GLN CA C 147 55.300 55.300 55.819 -0.519 25156 4359 1 6 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.518 0.582 25156 4360 1 6 . 1 1 147 147 GLN H H 147 7.248 7.248 7.551 -0.303 25156 4361 1 6 . 1 1 148 148 HIS N N 148 119.398 119.398 119.399 -0.001 25156 4362 1 6 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.570 0.430 25156 4363 1 6 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.468 -1.968 25156 4364 1 6 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.329 2.271 25156 4365 1 6 . 1 1 148 148 HIS H H 148 7.747 7.747 7.427 0.320 25156 4366 1 6 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.435 0.035 25156 4367 1 6 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.627 -1.327 25156 4368 1 6 . 1 1 149 149 PRO CB C 149 32.300 32.300 31.593 0.707 25156 4369 1 6 . 1 1 150 150 THR N N 150 108.042 108.042 119.338 -11.296 25156 4370 1 6 . 1 1 150 150 THR HA H 150 4.040 4.040 3.759 0.281 25156 4371 1 6 . 1 1 150 150 THR CA C 150 60.700 60.700 65.540 -4.840 25156 4372 1 6 . 1 1 150 150 THR CB C 150 68.400 68.400 68.520 -0.120 25156 4373 1 6 . 1 1 150 150 THR H H 150 7.864 7.864 8.373 -0.509 25156 4374 1 6 . 1 1 151 151 THR N N 151 134.400 134.400 111.586 22.814 25156 4375 1 6 . 1 1 151 151 THR HA H 151 4.550 4.550 4.605 -0.055 25156 4376 1 6 . 1 1 151 151 THR CA C 151 60.400 60.400 60.763 -0.363 25156 4377 1 6 . 1 1 151 151 THR CB C 151 68.900 68.900 69.918 -1.018 25156 4378 1 6 . 1 1 151 151 THR H H 151 6.900 6.900 8.099 -1.199 25156 4379 1 6 . 1 1 152 152 THR N N 152 108.396 108.396 115.259 -6.863 25156 4380 1 6 . 1 1 152 152 THR HA H 152 4.290 4.290 4.636 -0.346 25156 4381 1 6 . 1 1 152 152 THR CA C 152 57.700 57.700 59.432 -1.732 25156 4382 1 6 . 1 1 152 152 THR CB C 152 71.500 71.500 70.739 0.761 25156 4383 1 6 . 1 1 152 152 THR H H 152 7.104 7.104 7.479 -0.375 25156 4384 1 6 . 1 1 153 153 ALA N N 153 122.816 122.816 123.102 -0.286 25156 4385 1 6 . 1 1 153 153 ALA HA H 153 3.030 3.030 4.002 -0.972 25156 4386 1 6 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.989 -1.289 25156 4387 1 6 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.093 0.707 25156 4388 1 6 . 1 1 153 153 ALA H H 153 7.580 7.580 8.570 -0.990 25156 4389 1 6 . 1 1 154 154 GLU N N 154 113.788 113.788 117.134 -3.346 25156 4390 1 6 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.179 -0.439 25156 4391 1 6 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.315 1.485 25156 4392 1 6 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.387 -1.087 25156 4393 1 6 . 1 1 154 154 GLU H H 154 8.544 8.544 8.716 -0.172 25156 4394 1 6 . 1 1 155 155 GLY N N 155 108.136 108.136 109.535 -1.399 25156 4395 1 6 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.017 -0.117 25156 4396 1 6 . 1 1 155 155 GLY H H 155 7.973 7.973 7.672 0.301 25156 4397 1 6 . 1 1 156 156 ILE N N 156 119.992 119.992 122.993 -3.001 25156 4398 1 6 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.650 0.050 25156 4399 1 6 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.379 -3.979 25156 4400 1 6 . 1 1 156 156 ILE CB C 156 34.700 34.700 38.041 -3.341 25156 4401 1 6 . 1 1 156 156 ILE H H 156 7.688 7.688 8.700 -1.012 25156 4402 1 6 . 1 1 157 157 LEU N N 157 118.638 118.638 119.375 -0.737 25156 4403 1 6 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.899 -0.009 25156 4404 1 6 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.374 -0.274 25156 4405 1 6 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.312 -0.612 25156 4406 1 6 . 1 1 157 157 LEU H H 157 8.535 8.535 7.624 0.911 25156 4407 1 6 . 1 1 158 158 GLU N N 158 119.400 119.400 119.946 -0.546 25156 4408 1 6 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.064 -0.104 25156 4409 1 6 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.266 -1.066 25156 4410 1 6 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.815 -2.715 25156 4411 1 6 . 1 1 158 158 GLU H H 158 7.606 7.606 7.915 -0.309 25156 4412 1 6 . 1 1 159 159 ILE N N 159 122.226 122.226 120.400 1.826 25156 4413 1 6 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.559 -0.089 25156 4414 1 6 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.386 1.614 25156 4415 1 6 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.666 0.834 25156 4416 1 6 . 1 1 159 159 ILE H H 159 8.285 8.285 8.576 -0.291 25156 4417 1 6 . 1 1 160 160 ALA N N 160 121.722 121.722 122.652 -0.930 25156 4418 1 6 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.844 0.056 25156 4419 1 6 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.983 0.017 25156 4420 1 6 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.975 -0.075 25156 4421 1 6 . 1 1 160 160 ALA H H 160 9.171 9.171 8.249 0.922 25156 4422 1 6 . 1 1 161 161 LYS N N 161 117.720 117.720 118.947 -1.227 25156 4423 1 6 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.962 -0.092 25156 4424 1 6 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.511 -0.011 25156 4425 1 6 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.241 -0.641 25156 4426 1 6 . 1 1 161 161 LYS H H 161 7.661 7.661 7.595 0.066 25156 4427 1 6 . 1 1 162 162 ILE N N 162 122.241 122.241 119.747 2.494 25156 4428 1 6 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.756 -0.046 25156 4429 1 6 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.580 0.520 25156 4430 1 6 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.081 0.019 25156 4431 1 6 . 1 1 162 162 ILE H H 162 7.587 7.587 7.647 -0.060 25156 4432 1 6 . 1 1 163 163 MET N N 163 120.758 120.758 118.395 2.363 25156 4433 1 6 . 1 1 163 163 MET HA H 163 3.790 3.790 3.981 -0.191 25156 4434 1 6 . 1 1 163 163 MET CA C 163 60.200 60.200 59.169 1.031 25156 4435 1 6 . 1 1 163 163 MET CB C 163 32.200 32.200 32.448 -0.248 25156 4436 1 6 . 1 1 163 163 MET H H 163 8.581 8.581 7.572 1.009 25156 4437 1 6 . 1 1 164 164 LYS N N 164 118.723 118.723 119.312 -0.589 25156 4438 1 6 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.960 -0.210 25156 4439 1 6 . 1 1 164 164 LYS CA C 164 60.300 60.300 60.147 0.153 25156 4440 1 6 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.383 -0.583 25156 4441 1 6 . 1 1 164 164 LYS H H 164 9.221 9.221 8.427 0.794 25156 4442 1 6 . 1 1 165 165 THR N N 165 115.639 115.639 115.413 0.226 25156 4443 1 6 . 1 1 165 165 THR HA H 165 4.270 4.270 3.950 0.320 25156 4444 1 6 . 1 1 165 165 THR CA C 165 66.400 66.400 66.339 0.061 25156 4445 1 6 . 1 1 165 165 THR CB C 165 68.200 68.200 68.569 -0.369 25156 4446 1 6 . 1 1 165 165 THR H H 165 8.336 8.336 7.432 0.904 25156 4447 1 6 . 1 1 166 166 LYS N N 166 121.525 121.525 122.661 -1.136 25156 4448 1 6 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.070 0.100 25156 4449 1 6 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.576 -0.776 25156 4450 1 6 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.225 -1.625 25156 4451 1 6 . 1 1 166 166 LYS H H 166 7.357 7.357 7.668 -0.311 25156 4452 1 6 . 1 1 167 167 LEU N N 167 117.600 117.600 119.721 -2.121 25156 4453 1 6 . 1 1 167 167 LEU HA H 167 3.890 3.890 3.995 -0.105 25156 4454 1 6 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.324 -0.224 25156 4455 1 6 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.659 0.341 25156 4456 1 6 . 1 1 167 167 LEU H H 167 8.090 8.090 7.527 0.563 25156 4457 1 6 . 1 1 168 168 GLN N N 168 117.484 117.484 117.732 -0.248 25156 4458 1 6 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.011 0.099 25156 4459 1 6 . 1 1 168 168 GLN CA C 168 58.300 58.300 59.108 -0.808 25156 4460 1 6 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.753 -1.153 25156 4461 1 6 . 1 1 168 168 GLN H H 168 8.793 8.793 7.977 0.816 25156 4462 1 6 . 1 1 169 169 ARG N N 169 121.344 121.344 121.232 0.112 25156 4463 1 6 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.009 0.221 25156 4464 1 6 . 1 1 169 169 ARG CA C 169 59.400 59.400 60.054 -0.654 25156 4465 1 6 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.360 -1.260 25156 4466 1 6 . 1 1 169 169 ARG H H 169 8.051 8.051 8.511 -0.460 25156 4467 1 6 . 1 1 170 170 VAL N N 170 120.397 120.397 119.383 1.014 25156 4468 1 6 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.557 0.203 25156 4469 1 6 . 1 1 170 170 VAL CA C 170 66.300 66.300 67.066 -0.766 25156 4470 1 6 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.632 -0.032 25156 4471 1 6 . 1 1 170 170 VAL H H 170 7.911 7.911 8.555 -0.644 25156 4472 1 6 . 1 1 171 171 HIS N N 171 122.970 122.970 119.034 3.936 25156 4473 1 6 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.194 -0.184 25156 4474 1 6 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.584 -0.284 25156 4475 1 6 . 1 1 171 171 HIS CB C 171 29.600 29.600 30.159 -0.558 25156 4476 1 6 . 1 1 171 171 HIS H H 171 9.281 9.281 8.034 1.247 25156 4477 1 6 . 1 1 172 172 THR N N 172 115.729 115.729 115.994 -0.265 25156 4478 1 6 . 1 1 172 172 THR HA H 172 4.360 4.360 4.104 0.256 25156 4479 1 6 . 1 1 172 172 THR CA C 172 67.100 67.100 66.772 0.327 25156 4480 1 6 . 1 1 172 172 THR CB C 172 68.600 68.600 68.969 -0.369 25156 4481 1 6 . 1 1 172 172 THR H H 172 8.977 8.977 8.253 0.724 25156 4482 1 6 . 1 1 173 173 LYS N N 173 119.978 119.978 120.752 -0.774 25156 4483 1 6 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.015 0.185 25156 4484 1 6 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.499 0.001 25156 4485 1 6 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.273 -0.173 25156 4486 1 6 . 1 1 173 173 LYS H H 173 7.959 7.959 8.375 -0.416 25156 4487 1 6 . 1 1 174 174 ASN N N 174 116.606 116.606 118.301 -1.695 25156 4488 1 6 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.410 0.040 25156 4489 1 6 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.542 1.958 25156 4490 1 6 . 1 1 174 174 ASN CB C 174 40.000 40.000 37.646 2.354 25156 4491 1 6 . 1 1 174 174 ASN H H 174 7.640 7.640 8.045 -0.405 25156 4492 1 6 . 1 1 175 175 TYR N N 175 122.163 122.163 121.139 1.024 25156 4493 1 6 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.163 -0.133 25156 4494 1 6 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.447 -0.347 25156 4495 1 6 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.198 -0.198 25156 4496 1 6 . 1 1 175 175 TYR H H 175 9.079 9.079 8.032 1.047 25156 4497 1 6 . 1 1 176 176 CYS N N 176 116.655 116.655 116.477 0.178 25156 4498 1 6 . 1 1 176 176 CYS HA H 176 4.740 4.740 3.958 0.782 25156 4499 1 6 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.231 -2.431 25156 4500 1 6 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.828 13.472 25156 4501 1 6 . 1 1 176 176 CYS H H 176 8.799 8.799 7.536 1.263 25156 4502 1 6 . 1 1 177 177 ALA N N 177 120.661 120.661 121.514 -0.853 25156 4503 1 6 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.104 -0.024 25156 4504 1 6 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.401 0.099 25156 4505 1 6 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.355 0.445 25156 4506 1 6 . 1 1 177 177 ALA H H 177 7.337 7.337 7.864 -0.527 25156 4507 1 6 . 1 1 178 178 LEU N N 178 120.820 120.820 120.311 0.509 25156 4508 1 6 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.904 -0.054 25156 4509 1 6 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.891 -0.391 25156 4510 1 6 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.648 1.052 25156 4511 1 6 . 1 1 178 178 LEU H H 178 8.075 8.075 7.182 0.893 25156 4512 1 6 . 1 1 179 179 GLU N N 179 117.503 117.503 118.077 -0.574 25156 4513 1 6 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.813 -0.303 25156 4514 1 6 . 1 1 179 179 GLU CA C 179 57.900 57.900 59.181 -1.282 25156 4515 1 6 . 1 1 179 179 GLU CB C 179 26.400 26.400 29.332 -2.932 25156 4516 1 6 . 1 1 179 179 GLU H H 179 8.066 8.066 7.303 0.763 25156 4517 1 6 . 1 1 180 180 LYS N N 180 118.823 118.823 119.756 -0.933 25156 4518 1 6 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.103 0.167 25156 4519 1 6 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.490 -2.191 25156 4520 1 6 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.118 -0.118 25156 4521 1 6 . 1 1 180 180 LYS H H 180 7.424 7.424 7.648 -0.224 25156 4522 1 6 . 1 1 181 181 LYS N N 181 118.403 118.403 117.560 0.843 25156 4523 1 6 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.026 -0.036 25156 4524 1 6 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.861 -0.960 25156 4525 1 6 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.437 -0.837 25156 4526 1 6 . 1 1 181 181 LYS H H 181 7.381 7.381 7.644 -0.263 25156 4527 1 6 . 1 1 182 182 LYS N N 182 116.472 116.472 117.918 -1.446 25156 4528 1 6 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.109 -0.079 25156 4529 1 6 . 1 1 182 182 LYS CA C 182 57.900 57.900 58.084 -0.183 25156 4530 1 6 . 1 1 182 182 LYS CB C 182 32.700 32.700 33.130 -0.430 25156 4531 1 6 . 1 1 182 182 LYS H H 182 7.374 7.374 7.534 -0.160 25156 4532 1 6 . 1 1 183 183 ASN N N 183 114.082 114.082 116.289 -2.207 25156 4533 1 6 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.150 -0.100 25156 4534 1 6 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.396 -1.696 25156 4535 1 6 . 1 1 183 183 ASN CB C 183 39.100 39.100 39.387 -0.287 25156 4536 1 6 . 1 1 183 183 ASN H H 183 7.643 7.643 8.227 -0.584 25156 4537 1 6 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.408 0.192 25156 4538 1 6 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.700 -0.600 25156 4539 1 6 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.859 0.041 25156 4540 1 6 . 1 1 185 185 ASN N N 185 114.209 114.209 113.198 1.011 25156 4541 1 6 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.557 0.263 25156 4542 1 6 . 1 1 185 185 ASN CA C 185 52.600 52.600 52.735 -0.135 25156 4543 1 6 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.354 0.946 25156 4544 1 6 . 1 1 185 185 ASN H H 185 7.866 7.866 8.176 -0.310 25156 4545 1 6 . 1 1 186 186 PHE N N 186 122.429 122.429 123.122 -0.693 25156 4546 1 6 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.154 0.196 25156 4547 1 6 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.328 -0.528 25156 4548 1 6 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.466 0.134 25156 4549 1 6 . 1 1 186 186 PHE H H 186 8.035 8.035 7.572 0.463 25156 4550 1 6 . 1 1 187 187 THR N N 187 120.308 120.308 121.984 -1.676 25156 4551 1 6 . 1 1 187 187 THR HA H 187 4.110 4.110 4.560 -0.450 25156 4552 1 6 . 1 1 187 187 THR CA C 187 59.700 59.700 61.908 -2.208 25156 4553 1 6 . 1 1 187 187 THR CB C 187 70.400 70.400 70.388 0.013 25156 4554 1 6 . 1 1 187 187 THR H H 187 7.687 7.687 7.686 0.001 25156 4555 1 6 . 1 1 188 188 ASP N N 188 122.010 122.010 125.743 -3.733 25156 4556 1 6 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.762 -0.382 25156 4557 1 6 . 1 1 188 188 ASP CA C 188 54.000 54.000 52.596 1.404 25156 4558 1 6 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.806 2.194 25156 4559 1 6 . 1 1 188 188 ASP H H 188 7.732 7.732 8.482 -0.750 25156 4560 1 6 . 1 1 189 189 GLU N N 189 127.772 127.772 124.240 3.532 25156 4561 1 6 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.137 -0.137 25156 4562 1 6 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.192 0.708 25156 4563 1 6 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.878 -0.978 25156 4564 1 6 . 1 1 189 189 GLU H H 189 9.002 9.002 8.691 0.311 25156 4565 1 6 . 1 1 190 190 LYS N N 190 117.753 117.753 118.634 -0.881 25156 4566 1 6 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.182 0.048 25156 4567 1 6 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.786 -0.186 25156 4568 1 6 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.980 -1.080 25156 4569 1 6 . 1 1 190 190 LYS H H 190 9.144 9.144 8.471 0.673 25156 4570 1 6 . 1 1 191 191 CYS N N 191 115.894 115.894 118.102 -2.208 25156 4571 1 6 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.566 0.404 25156 4572 1 6 . 1 1 191 191 CYS CA C 191 52.800 52.800 57.666 -4.865 25156 4573 1 6 . 1 1 191 191 CYS CB C 191 38.300 38.300 29.703 8.597 25156 4574 1 6 . 1 1 191 191 CYS H H 191 7.999 7.999 7.583 0.416 25156 4575 1 6 . 1 1 192 192 LYS N N 192 121.894 121.894 125.125 -3.231 25156 4576 1 6 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.193 0.097 25156 4577 1 6 . 1 1 192 192 LYS CA C 192 56.600 56.600 57.130 -0.530 25156 4578 1 6 . 1 1 192 192 LYS CB C 192 32.600 32.600 32.556 0.044 25156 4579 1 6 . 1 1 192 192 LYS H H 192 7.718 7.718 8.491 -0.773 25156 4580 1 6 . 1 1 193 193 ASN N N 193 118.976 118.976 120.820 -1.844 25156 4581 1 6 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.814 -0.024 25156 4582 1 6 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.110 -0.110 25156 4583 1 6 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.780 -0.280 25156 4584 1 6 . 1 1 193 193 ASN H H 193 8.497 8.497 8.414 0.083 25156 4585 1 7 . 1 1 30 30 LEU N N 30 118.365 118.365 121.076 -2.711 25156 4586 1 7 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.070 0.290 25156 4587 1 7 . 1 1 30 30 LEU CA C 30 54.400 54.400 55.367 -0.967 25156 4588 1 7 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.223 0.977 25156 4589 1 7 . 1 1 30 30 LEU H H 30 8.544 8.544 8.466 0.078 25156 4590 1 7 . 1 1 31 31 LYS N N 31 119.962 119.962 124.400 -4.438 25156 4591 1 7 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.592 0.068 25156 4592 1 7 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.547 -1.047 25156 4593 1 7 . 1 1 31 31 LYS CB C 31 35.700 35.700 35.058 0.642 25156 4594 1 7 . 1 1 31 31 LYS H H 31 9.499 9.499 8.317 1.182 25156 4595 1 7 . 1 1 32 32 GLY N N 32 107.471 107.471 111.630 -4.159 25156 4596 1 7 . 1 1 32 32 GLY CA C 32 45.900 45.900 45.053 0.847 25156 4597 1 7 . 1 1 32 32 GLY H H 32 8.548 8.548 8.355 0.193 25156 4598 1 7 . 1 1 33 33 GLU N N 33 124.823 124.823 122.464 2.359 25156 4599 1 7 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.032 -0.022 25156 4600 1 7 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.978 -0.578 25156 4601 1 7 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.237 -0.437 25156 4602 1 7 . 1 1 33 33 GLU H H 33 9.049 9.049 8.866 0.183 25156 4603 1 7 . 1 1 34 34 THR N N 34 116.008 116.008 116.013 -0.005 25156 4604 1 7 . 1 1 34 34 THR HA H 34 4.150 4.150 3.931 0.219 25156 4605 1 7 . 1 1 34 34 THR CA C 34 66.200 66.200 65.582 0.619 25156 4606 1 7 . 1 1 34 34 THR CB C 34 68.500 68.500 68.512 -0.012 25156 4607 1 7 . 1 1 34 34 THR H H 34 7.772 7.772 8.324 -0.552 25156 4608 1 7 . 1 1 35 35 LYS N N 35 119.081 119.081 120.902 -1.821 25156 4609 1 7 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.194 -0.544 25156 4610 1 7 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.161 0.239 25156 4611 1 7 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.840 -0.540 25156 4612 1 7 . 1 1 35 35 LYS H H 35 6.838 6.838 7.588 -0.750 25156 4613 1 7 . 1 1 36 36 ILE N N 36 116.476 116.476 115.349 1.127 25156 4614 1 7 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.114 -0.374 25156 4615 1 7 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.824 0.976 25156 4616 1 7 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.710 0.390 25156 4617 1 7 . 1 1 36 36 ILE H H 36 7.020 7.020 7.327 -0.307 25156 4618 1 7 . 1 1 37 37 ILE N N 37 119.272 119.272 122.891 -3.619 25156 4619 1 7 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.608 0.082 25156 4620 1 7 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.220 -0.720 25156 4621 1 7 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.084 1.317 25156 4622 1 7 . 1 1 37 37 ILE H H 37 8.507 8.507 8.862 -0.355 25156 4623 1 7 . 1 1 38 38 LEU N N 38 118.624 118.624 119.765 -1.141 25156 4624 1 7 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.070 0.200 25156 4625 1 7 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.161 -0.561 25156 4626 1 7 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.359 -1.259 25156 4627 1 7 . 1 1 38 38 LEU H H 38 8.363 8.363 7.979 0.384 25156 4628 1 7 . 1 1 39 39 GLU N N 39 118.123 118.123 118.671 -0.548 25156 4629 1 7 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.060 -0.060 25156 4630 1 7 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.437 0.463 25156 4631 1 7 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.031 -1.031 25156 4632 1 7 . 1 1 39 39 GLU H H 39 8.663 8.663 7.664 0.999 25156 4633 1 7 . 1 1 40 40 ARG N N 40 120.230 120.230 118.920 1.310 25156 4634 1 7 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.003 0.187 25156 4635 1 7 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.628 -1.128 25156 4636 1 7 . 1 1 40 40 ARG CB C 40 29.500 29.500 30.057 -0.557 25156 4637 1 7 . 1 1 40 40 ARG H H 40 7.977 7.977 8.805 -0.828 25156 4638 1 7 . 1 1 41 41 SER N N 41 114.690 114.690 114.127 0.563 25156 4639 1 7 . 1 1 41 41 SER HA H 41 4.210 4.210 4.288 -0.078 25156 4640 1 7 . 1 1 41 41 SER CA C 41 61.900 61.900 61.285 0.615 25156 4641 1 7 . 1 1 41 41 SER CB C 41 63.000 63.000 63.178 -0.178 25156 4642 1 7 . 1 1 41 41 SER H H 41 7.975 7.975 7.705 0.270 25156 4643 1 7 . 1 1 42 42 ALA N N 42 124.202 124.202 123.027 1.175 25156 4644 1 7 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.205 -0.535 25156 4645 1 7 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.091 0.609 25156 4646 1 7 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.305 -1.105 25156 4647 1 7 . 1 1 42 42 ALA H H 42 8.578 8.578 7.757 0.821 25156 4648 1 7 . 1 1 43 43 LYS N N 43 121.324 121.324 120.345 0.979 25156 4649 1 7 . 1 1 43 43 LYS HA H 43 4.060 4.060 4.024 0.036 25156 4650 1 7 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.869 -1.469 25156 4651 1 7 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.314 -1.014 25156 4652 1 7 . 1 1 43 43 LYS H H 43 7.958 7.958 7.971 -0.013 25156 4653 1 7 . 1 1 44 44 ASP N N 44 118.176 118.176 118.678 -0.502 25156 4654 1 7 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.454 -0.064 25156 4655 1 7 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.007 0.193 25156 4656 1 7 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.191 -0.891 25156 4657 1 7 . 1 1 44 44 ASP H H 44 8.111 8.111 7.643 0.468 25156 4658 1 7 . 1 1 45 45 ILE N N 45 117.643 117.643 119.171 -1.528 25156 4659 1 7 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.758 0.062 25156 4660 1 7 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.622 0.078 25156 4661 1 7 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.188 0.412 25156 4662 1 7 . 1 1 45 45 ILE H H 45 7.417 7.417 7.421 -0.004 25156 4663 1 7 . 1 1 46 46 THR N N 46 116.310 116.310 112.974 3.336 25156 4664 1 7 . 1 1 46 46 THR HA H 46 4.160 4.160 3.989 0.171 25156 4665 1 7 . 1 1 46 46 THR CA C 46 66.200 66.200 66.397 -0.197 25156 4666 1 7 . 1 1 46 46 THR CB C 46 67.500 67.500 68.502 -1.002 25156 4667 1 7 . 1 1 46 46 THR H H 46 7.702 7.702 7.874 -0.172 25156 4668 1 7 . 1 1 47 47 ASP N N 47 121.550 121.550 121.531 0.019 25156 4669 1 7 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.393 0.067 25156 4670 1 7 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.912 0.088 25156 4671 1 7 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.923 -1.523 25156 4672 1 7 . 1 1 47 47 ASP H H 47 9.154 9.154 8.210 0.944 25156 4673 1 7 . 1 1 48 48 GLU N N 48 122.105 122.105 119.935 2.170 25156 4674 1 7 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.161 0.109 25156 4675 1 7 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.125 -0.625 25156 4676 1 7 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.349 -0.349 25156 4677 1 7 . 1 1 48 48 GLU H H 48 7.812 7.812 7.867 -0.055 25156 4678 1 7 . 1 1 49 49 ILE N N 49 119.770 119.770 118.467 1.303 25156 4679 1 7 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.772 -0.192 25156 4680 1 7 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.721 1.979 25156 4681 1 7 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.857 0.043 25156 4682 1 7 . 1 1 49 49 ILE H H 49 8.655 8.655 7.399 1.256 25156 4683 1 7 . 1 1 50 50 ASN N N 50 118.094 118.094 118.529 -0.435 25156 4684 1 7 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.289 0.171 25156 4685 1 7 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.130 -0.230 25156 4686 1 7 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.254 -1.254 25156 4687 1 7 . 1 1 50 50 ASN H H 50 8.399 8.399 7.784 0.615 25156 4688 1 7 . 1 1 51 51 LYS N N 51 122.985 122.985 120.501 2.484 25156 4689 1 7 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.009 0.091 25156 4690 1 7 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.466 0.034 25156 4691 1 7 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.237 -0.537 25156 4692 1 7 . 1 1 51 51 LYS H H 51 7.949 7.949 7.407 0.542 25156 4693 1 7 . 1 1 52 52 ILE N N 52 121.342 121.342 118.863 2.479 25156 4694 1 7 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.984 -0.194 25156 4695 1 7 . 1 1 52 52 ILE CA C 52 65.800 65.800 62.980 2.820 25156 4696 1 7 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.700 1.800 25156 4697 1 7 . 1 1 52 52 ILE H H 52 8.584 8.584 7.702 0.882 25156 4698 1 7 . 1 1 53 53 LYS N N 53 118.268 118.268 120.175 -1.907 25156 4699 1 7 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.461 0.459 25156 4700 1 7 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.584 0.816 25156 4701 1 7 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.631 0.469 25156 4702 1 7 . 1 1 53 53 LYS H H 53 8.548 8.548 7.843 0.705 25156 4703 1 7 . 1 1 54 54 LYS N N 54 122.485 122.485 119.370 3.115 25156 4704 1 7 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.924 0.236 25156 4705 1 7 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.627 -0.727 25156 4706 1 7 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.273 -0.473 25156 4707 1 7 . 1 1 54 54 LYS H H 54 7.855 7.855 7.720 0.135 25156 4708 1 7 . 1 1 55 55 ASP N N 55 120.775 120.775 119.515 1.260 25156 4709 1 7 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.412 -0.072 25156 4710 1 7 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.317 -0.417 25156 4711 1 7 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.478 -0.578 25156 4712 1 7 . 1 1 55 55 ASP H H 55 8.813 8.813 7.762 1.051 25156 4713 1 7 . 1 1 56 56 ALA N N 56 123.205 123.205 122.327 0.878 25156 4714 1 7 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.270 -0.750 25156 4715 1 7 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.178 -0.078 25156 4716 1 7 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.754 -1.654 25156 4717 1 7 . 1 1 56 56 ALA H H 56 9.101 9.101 8.561 0.540 25156 4718 1 7 . 1 1 57 57 ALA N N 57 121.461 121.461 120.603 0.858 25156 4719 1 7 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.940 0.300 25156 4720 1 7 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.755 0.045 25156 4721 1 7 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.373 -1.073 25156 4722 1 7 . 1 1 57 57 ALA H H 57 7.770 7.770 8.273 -0.503 25156 4723 1 7 . 1 1 58 58 ASP N N 58 119.548 119.548 118.895 0.653 25156 4724 1 7 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.441 -0.051 25156 4725 1 7 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.312 0.088 25156 4726 1 7 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.827 -1.026 25156 4727 1 7 . 1 1 58 58 ASP H H 58 8.443 8.443 8.255 0.188 25156 4728 1 7 . 1 1 59 59 ASN N N 59 115.622 115.622 115.217 0.405 25156 4729 1 7 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.624 0.026 25156 4730 1 7 . 1 1 59 59 ASN CA C 59 53.000 53.000 53.339 -0.339 25156 4731 1 7 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.847 0.353 25156 4732 1 7 . 1 1 59 59 ASN H H 59 7.500 7.500 7.775 -0.275 25156 4733 1 7 . 1 1 60 60 ASN N N 60 116.019 116.019 114.882 1.137 25156 4734 1 7 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.345 -0.015 25156 4735 1 7 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.223 0.077 25156 4736 1 7 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.343 0.357 25156 4737 1 7 . 1 1 60 60 ASN H H 60 7.930 7.930 7.509 0.421 25156 4738 1 7 . 1 1 61 61 VAL N N 61 119.072 119.072 118.244 0.828 25156 4739 1 7 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.160 -0.200 25156 4740 1 7 . 1 1 61 61 VAL CA C 61 61.500 61.500 61.514 -0.014 25156 4741 1 7 . 1 1 61 61 VAL CB C 61 32.600 32.600 33.515 -0.915 25156 4742 1 7 . 1 1 61 61 VAL H H 61 8.245 8.245 7.756 0.489 25156 4743 1 7 . 1 1 62 62 ASN N N 62 125.564 125.564 122.432 3.132 25156 4744 1 7 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.703 -0.063 25156 4745 1 7 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.970 -1.870 25156 4746 1 7 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.098 0.502 25156 4747 1 7 . 1 1 62 62 ASN H H 62 8.524 8.524 8.748 -0.224 25156 4748 1 7 . 1 1 63 63 PHE N N 63 125.711 125.711 126.519 -0.808 25156 4749 1 7 . 1 1 63 63 PHE CA C 63 60.700 60.700 60.392 0.308 25156 4750 1 7 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.245 -0.945 25156 4751 1 7 . 1 1 63 63 PHE H H 63 8.904 8.904 8.260 0.644 25156 4752 1 7 . 1 1 64 64 ALA N N 64 121.816 121.816 122.263 -0.447 25156 4753 1 7 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.922 0.278 25156 4754 1 7 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.297 -0.497 25156 4755 1 7 . 1 1 64 64 ALA CB C 64 17.700 17.700 18.034 -0.334 25156 4756 1 7 . 1 1 64 64 ALA H H 64 8.492 8.492 8.550 -0.058 25156 4757 1 7 . 1 1 65 65 ALA N N 65 118.873 118.873 120.823 -1.950 25156 4758 1 7 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.107 0.073 25156 4759 1 7 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.237 -0.837 25156 4760 1 7 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.375 0.125 25156 4761 1 7 . 1 1 65 65 ALA H H 65 7.984 7.984 7.369 0.615 25156 4762 1 7 . 1 1 66 66 PHE N N 66 115.587 115.587 116.220 -0.633 25156 4763 1 7 . 1 1 66 66 PHE HA H 66 4.060 4.060 3.938 0.122 25156 4764 1 7 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.806 -0.106 25156 4765 1 7 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.204 0.296 25156 4766 1 7 . 1 1 66 66 PHE H H 66 7.795 7.795 8.069 -0.274 25156 4767 1 7 . 1 1 67 67 THR N N 67 109.477 109.477 107.603 1.874 25156 4768 1 7 . 1 1 67 67 THR HA H 67 4.330 4.330 4.150 0.180 25156 4769 1 7 . 1 1 67 67 THR CA C 67 61.900 61.900 62.684 -0.784 25156 4770 1 7 . 1 1 67 67 THR CB C 67 69.000 69.000 69.108 -0.108 25156 4771 1 7 . 1 1 67 67 THR H H 67 7.563 7.563 7.510 0.053 25156 4772 1 7 . 1 1 68 68 ASP N N 68 122.883 122.883 121.678 1.205 25156 4773 1 7 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.573 0.077 25156 4774 1 7 . 1 1 68 68 ASP CA C 68 54.600 54.600 54.774 -0.174 25156 4775 1 7 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.416 0.484 25156 4776 1 7 . 1 1 68 68 ASP H H 68 7.969 7.969 7.340 0.629 25156 4777 1 7 . 1 1 69 69 SER N N 69 115.778 115.778 121.292 -5.514 25156 4778 1 7 . 1 1 69 69 SER HA H 69 4.410 4.410 4.604 -0.194 25156 4779 1 7 . 1 1 69 69 SER CA C 69 58.500 58.500 58.759 -0.259 25156 4780 1 7 . 1 1 69 69 SER CB C 69 63.400 63.400 64.949 -1.549 25156 4781 1 7 . 1 1 69 69 SER H H 69 8.277 8.277 7.904 0.373 25156 4782 1 7 . 1 1 70 70 GLU N N 70 122.040 122.040 122.077 -0.037 25156 4783 1 7 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.444 -0.084 25156 4784 1 7 . 1 1 70 70 GLU CA C 70 56.600 56.600 56.440 0.160 25156 4785 1 7 . 1 1 70 70 GLU CB C 70 29.300 29.300 30.055 -0.755 25156 4786 1 7 . 1 1 70 70 GLU H H 70 8.464 8.464 8.429 0.035 25156 4787 1 7 . 1 1 71 71 THR N N 71 113.162 113.162 114.959 -1.797 25156 4788 1 7 . 1 1 71 71 THR HA H 71 4.320 4.320 4.044 0.276 25156 4789 1 7 . 1 1 71 71 THR CA C 71 61.900 61.900 62.806 -0.906 25156 4790 1 7 . 1 1 71 71 THR CB C 71 69.200 69.200 68.527 0.673 25156 4791 1 7 . 1 1 71 71 THR H H 71 8.060 8.060 8.507 -0.447 25156 4792 1 7 . 1 1 72 72 GLY N N 72 111.140 111.140 111.099 0.041 25156 4793 1 7 . 1 1 72 72 GLY CA C 72 45.200 45.200 44.445 0.755 25156 4794 1 7 . 1 1 72 72 GLY H H 72 8.412 8.412 8.138 0.274 25156 4795 1 7 . 1 1 73 73 SER N N 73 115.757 115.757 117.811 -2.054 25156 4796 1 7 . 1 1 73 73 SER HA H 73 4.410 4.410 4.556 -0.146 25156 4797 1 7 . 1 1 73 73 SER CA C 73 58.400 58.400 58.109 0.291 25156 4798 1 7 . 1 1 73 73 SER CB C 73 63.400 63.400 63.885 -0.485 25156 4799 1 7 . 1 1 73 73 SER H H 73 8.237 8.237 8.327 -0.090 25156 4800 1 7 . 1 1 75 75 VAL N N 75 118.866 118.866 117.197 1.669 25156 4801 1 7 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.259 -0.109 25156 4802 1 7 . 1 1 75 75 VAL CA C 75 61.900 61.900 61.895 0.005 25156 4803 1 7 . 1 1 75 75 VAL CB C 75 32.600 32.600 33.944 -1.344 25156 4804 1 7 . 1 1 75 75 VAL H H 75 7.997 7.997 8.129 -0.132 25156 4805 1 7 . 1 1 76 76 SER N N 76 117.059 117.059 118.985 -1.926 25156 4806 1 7 . 1 1 76 76 SER HA H 76 4.280 4.280 4.618 -0.338 25156 4807 1 7 . 1 1 76 76 SER CA C 76 58.600 58.600 57.329 1.271 25156 4808 1 7 . 1 1 76 76 SER CB C 76 63.400 63.400 63.570 -0.170 25156 4809 1 7 . 1 1 76 76 SER H H 76 8.183 8.183 8.371 -0.188 25156 4810 1 7 . 1 1 77 77 GLU N N 77 121.924 121.924 121.947 -0.023 25156 4811 1 7 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.149 0.171 25156 4812 1 7 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.344 -1.444 25156 4813 1 7 . 1 1 77 77 GLU CB C 77 29.700 29.700 30.061 -0.361 25156 4814 1 7 . 1 1 77 77 GLU H H 77 8.302 8.302 8.271 0.031 25156 4815 1 7 . 1 1 78 78 ASN N N 78 120.401 120.401 114.512 5.889 25156 4816 1 7 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.492 0.268 25156 4817 1 7 . 1 1 78 78 ASN CA C 78 52.900 52.900 54.042 -1.142 25156 4818 1 7 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.425 0.675 25156 4819 1 7 . 1 1 78 78 ASN H H 78 8.308 8.308 8.420 -0.112 25156 4820 1 7 . 1 1 79 79 SER CA C 79 58.300 58.300 60.128 -1.828 25156 4821 1 7 . 1 1 79 79 SER CB C 79 62.300 62.300 63.283 -0.983 25156 4822 1 7 . 1 1 80 80 PHE N N 80 121.812 121.812 123.162 -1.350 25156 4823 1 7 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.215 0.005 25156 4824 1 7 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.423 -0.223 25156 4825 1 7 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.825 -0.625 25156 4826 1 7 . 1 1 80 80 PHE H H 80 8.280 8.280 8.297 -0.017 25156 4827 1 7 . 1 1 81 81 ILE N N 81 119.199 119.199 117.155 2.044 25156 4828 1 7 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.950 0.280 25156 4829 1 7 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.823 -0.223 25156 4830 1 7 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.679 0.021 25156 4831 1 7 . 1 1 81 81 ILE H H 81 7.483 7.483 7.631 -0.148 25156 4832 1 7 . 1 1 82 82 LEU N N 82 117.108 117.108 118.804 -1.696 25156 4833 1 7 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.729 0.391 25156 4834 1 7 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.582 0.018 25156 4835 1 7 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.287 1.413 25156 4836 1 7 . 1 1 82 82 LEU H H 82 7.464 7.464 7.339 0.125 25156 4837 1 7 . 1 1 83 83 GLU N N 83 117.300 117.300 119.407 -2.107 25156 4838 1 7 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.919 -0.249 25156 4839 1 7 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.186 -0.286 25156 4840 1 7 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.788 -0.688 25156 4841 1 7 . 1 1 83 83 GLU H H 83 8.093 8.093 8.730 -0.637 25156 4842 1 7 . 1 1 84 84 ALA N N 84 122.149 122.149 121.558 0.591 25156 4843 1 7 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.020 -0.170 25156 4844 1 7 . 1 1 84 84 ALA CA C 84 55.000 55.000 55.363 -0.363 25156 4845 1 7 . 1 1 84 84 ALA CB C 84 18.400 18.400 17.988 0.412 25156 4846 1 7 . 1 1 84 84 ALA H H 84 8.431 8.431 7.952 0.479 25156 4847 1 7 . 1 1 85 85 LYS N N 85 116.458 116.458 117.905 -1.447 25156 4848 1 7 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.916 0.044 25156 4849 1 7 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.304 1.396 25156 4850 1 7 . 1 1 85 85 LYS CB C 85 31.800 31.800 31.880 -0.080 25156 4851 1 7 . 1 1 85 85 LYS H H 85 8.122 8.122 7.305 0.817 25156 4852 1 7 . 1 1 86 86 VAL N N 86 122.206 122.206 118.836 3.370 25156 4853 1 7 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.620 -0.280 25156 4854 1 7 . 1 1 86 86 VAL CA C 86 67.600 67.600 65.902 1.698 25156 4855 1 7 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.422 -0.021 25156 4856 1 7 . 1 1 86 86 VAL H H 86 8.116 8.116 7.117 0.999 25156 4857 1 7 . 1 1 87 87 ARG N N 87 122.354 122.354 119.205 3.149 25156 4858 1 7 . 1 1 87 87 ARG HA H 87 4.030 4.030 3.950 0.080 25156 4859 1 7 . 1 1 87 87 ARG CA C 87 59.400 59.400 59.779 -0.379 25156 4860 1 7 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.902 0.898 25156 4861 1 7 . 1 1 87 87 ARG H H 87 8.768 8.768 7.773 0.995 25156 4862 1 7 . 1 1 88 88 ALA N N 88 119.659 119.659 119.301 0.358 25156 4863 1 7 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.195 -0.295 25156 4864 1 7 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.833 -0.033 25156 4865 1 7 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.419 -0.219 25156 4866 1 7 . 1 1 88 88 ALA H H 88 8.789 8.789 7.585 1.204 25156 4867 1 7 . 1 1 89 89 THR N N 89 105.646 105.646 115.516 -9.870 25156 4868 1 7 . 1 1 89 89 THR HA H 89 4.310 4.310 4.003 0.307 25156 4869 1 7 . 1 1 89 89 THR CA C 89 65.600 65.600 66.739 -1.139 25156 4870 1 7 . 1 1 89 89 THR CB C 89 67.900 67.900 68.711 -0.811 25156 4871 1 7 . 1 1 89 89 THR H H 89 8.063 8.063 7.353 0.710 25156 4872 1 7 . 1 1 90 90 THR N N 90 120.262 120.262 116.407 3.855 25156 4873 1 7 . 1 1 90 90 THR HA H 90 4.370 4.370 4.024 0.346 25156 4874 1 7 . 1 1 90 90 THR CA C 90 67.000 67.000 66.187 0.813 25156 4875 1 7 . 1 1 90 90 THR CB C 90 68.200 68.200 68.405 -0.205 25156 4876 1 7 . 1 1 90 90 THR H H 90 8.021 8.021 8.358 -0.337 25156 4877 1 7 . 1 1 91 91 VAL N N 91 119.100 119.100 118.036 1.064 25156 4878 1 7 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.811 0.209 25156 4879 1 7 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.244 0.056 25156 4880 1 7 . 1 1 91 91 VAL CB C 91 30.900 30.900 30.187 0.713 25156 4881 1 7 . 1 1 91 91 VAL H H 91 7.653 7.653 7.547 0.106 25156 4882 1 7 . 1 1 92 92 ALA N N 92 124.800 124.800 123.389 1.411 25156 4883 1 7 . 1 1 92 92 ALA HA H 92 4.300 4.300 3.981 0.319 25156 4884 1 7 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.353 -0.753 25156 4885 1 7 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.150 1.350 25156 4886 1 7 . 1 1 92 92 ALA H H 92 8.189 8.189 7.552 0.637 25156 4887 1 7 . 1 1 93 93 GLU N N 93 120.300 120.300 118.437 1.863 25156 4888 1 7 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.981 -0.201 25156 4889 1 7 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.603 0.597 25156 4890 1 7 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.551 -0.851 25156 4891 1 7 . 1 1 93 93 GLU H H 93 8.710 8.710 8.445 0.265 25156 4892 1 7 . 1 1 94 94 LYS N N 94 119.247 119.247 120.202 -0.955 25156 4893 1 7 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.045 0.055 25156 4894 1 7 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.471 0.029 25156 4895 1 7 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.368 -0.868 25156 4896 1 7 . 1 1 94 94 LYS H H 94 7.575 7.575 7.578 -0.003 25156 4897 1 7 . 1 1 95 95 PHE N N 95 121.711 121.711 121.403 0.308 25156 4898 1 7 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.210 0.400 25156 4899 1 7 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.836 -2.136 25156 4900 1 7 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.272 -0.272 25156 4901 1 7 . 1 1 95 95 PHE H H 95 7.467 7.467 8.305 -0.838 25156 4902 1 7 . 1 1 96 96 VAL N N 96 119.674 119.674 119.061 0.613 25156 4903 1 7 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.598 -0.468 25156 4904 1 7 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.707 0.193 25156 4905 1 7 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.744 -0.744 25156 4906 1 7 . 1 1 96 96 VAL H H 96 8.186 8.186 8.045 0.141 25156 4907 1 7 . 1 1 97 97 THR N N 97 117.086 117.086 115.817 1.269 25156 4908 1 7 . 1 1 97 97 THR HA H 97 4.300 4.300 4.013 0.287 25156 4909 1 7 . 1 1 97 97 THR CA C 97 65.600 65.600 66.556 -0.956 25156 4910 1 7 . 1 1 97 97 THR CB C 97 68.300 68.300 68.398 -0.098 25156 4911 1 7 . 1 1 97 97 THR H H 97 8.470 8.470 8.426 0.044 25156 4912 1 7 . 1 1 98 98 ALA N N 98 126.429 126.429 124.516 1.913 25156 4913 1 7 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.046 0.124 25156 4914 1 7 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.921 0.179 25156 4915 1 7 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.821 -1.121 25156 4916 1 7 . 1 1 98 98 ALA H H 98 7.842 7.842 8.377 -0.535 25156 4917 1 7 . 1 1 99 99 ILE N N 99 121.241 121.241 119.365 1.876 25156 4918 1 7 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.486 -0.006 25156 4919 1 7 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.294 -1.294 25156 4920 1 7 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.818 -2.618 25156 4921 1 7 . 1 1 99 99 ILE H H 99 7.937 7.937 7.710 0.227 25156 4922 1 7 . 1 1 100 100 GLU N N 100 118.069 118.069 119.026 -0.957 25156 4923 1 7 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.920 -0.200 25156 4924 1 7 . 1 1 100 100 GLU CA C 100 59.000 59.000 59.196 -0.196 25156 4925 1 7 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.330 -0.030 25156 4926 1 7 . 1 1 100 100 GLU H H 100 8.458 8.458 7.684 0.774 25156 4927 1 7 . 1 1 101 101 GLY N N 101 107.210 107.210 107.096 0.114 25156 4928 1 7 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.991 0.909 25156 4929 1 7 . 1 1 101 101 GLY H H 101 8.411 8.411 7.689 0.722 25156 4930 1 7 . 1 1 102 102 GLU N N 102 121.134 121.134 121.871 -0.737 25156 4931 1 7 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.852 0.328 25156 4932 1 7 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.421 -0.621 25156 4933 1 7 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.223 -0.523 25156 4934 1 7 . 1 1 102 102 GLU H H 102 8.344 8.344 8.730 -0.386 25156 4935 1 7 . 1 1 103 103 ALA N N 103 121.862 121.862 119.586 2.276 25156 4936 1 7 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.862 0.188 25156 4937 1 7 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.309 1.691 25156 4938 1 7 . 1 1 103 103 ALA CB C 103 16.500 16.500 19.057 -2.557 25156 4939 1 7 . 1 1 103 103 ALA H H 103 9.325 9.325 7.422 1.903 25156 4940 1 7 . 1 1 104 104 THR N N 104 110.782 110.782 111.138 -0.356 25156 4941 1 7 . 1 1 104 104 THR HA H 104 4.330 4.330 3.750 0.580 25156 4942 1 7 . 1 1 104 104 THR CA C 104 67.000 67.000 64.771 2.229 25156 4943 1 7 . 1 1 104 104 THR CB C 104 68.100 68.100 67.549 0.551 25156 4944 1 7 . 1 1 104 104 THR H H 104 7.796 7.796 7.977 -0.181 25156 4945 1 7 . 1 1 105 105 LYS N N 105 123.041 123.041 120.079 2.962 25156 4946 1 7 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.575 -0.525 25156 4947 1 7 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.380 2.820 25156 4948 1 7 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.903 -1.702 25156 4949 1 7 . 1 1 105 105 LYS H H 105 7.728 7.728 8.519 -0.791 25156 4950 1 7 . 1 1 106 106 LEU N N 106 117.015 117.015 117.936 -0.921 25156 4951 1 7 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.928 -0.418 25156 4952 1 7 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.602 -1.402 25156 4953 1 7 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.133 -0.833 25156 4954 1 7 . 1 1 106 106 LEU H H 106 7.768 7.768 7.884 -0.116 25156 4955 1 7 . 1 1 107 107 LYS N N 107 122.173 122.173 120.002 2.171 25156 4956 1 7 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.940 -0.020 25156 4957 1 7 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.709 1.191 25156 4958 1 7 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.104 0.396 25156 4959 1 7 . 1 1 107 107 LYS H H 107 7.452 7.452 8.370 -0.918 25156 4960 1 7 . 1 1 108 108 LYS N N 108 114.243 114.243 116.074 -1.831 25156 4961 1 7 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.279 0.321 25156 4962 1 7 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.873 -1.073 25156 4963 1 7 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.946 -0.146 25156 4964 1 7 . 1 1 108 108 LYS H H 108 8.735 8.735 7.554 1.181 25156 4965 1 7 . 1 1 109 109 THR N N 109 106.918 106.918 112.669 -5.751 25156 4966 1 7 . 1 1 109 109 THR HA H 109 4.410 4.410 4.139 0.271 25156 4967 1 7 . 1 1 109 109 THR CA C 109 61.500 61.500 60.717 0.783 25156 4968 1 7 . 1 1 109 109 THR CB C 109 69.700 69.700 66.806 2.894 25156 4969 1 7 . 1 1 109 109 THR H H 109 7.530 7.530 7.590 -0.060 25156 4970 1 7 . 1 1 110 110 GLY N N 110 111.753 111.753 110.549 1.204 25156 4971 1 7 . 1 1 110 110 GLY CA C 110 45.200 45.200 45.611 -0.411 25156 4972 1 7 . 1 1 110 110 GLY H H 110 9.066 9.066 7.633 1.433 25156 4973 1 7 . 1 1 111 111 SER N N 111 118.638 118.638 116.070 2.568 25156 4974 1 7 . 1 1 111 111 SER HA H 111 4.930 4.930 4.136 0.794 25156 4975 1 7 . 1 1 111 111 SER CA C 111 56.600 56.600 58.017 -1.417 25156 4976 1 7 . 1 1 111 111 SER CB C 111 66.400 66.400 64.066 2.334 25156 4977 1 7 . 1 1 111 111 SER H H 111 8.709 8.709 8.294 0.415 25156 4978 1 7 . 1 1 112 112 SER N N 112 116.928 116.928 117.914 -0.986 25156 4979 1 7 . 1 1 112 112 SER CA C 112 61.200 61.200 59.986 1.214 25156 4980 1 7 . 1 1 112 112 SER CB C 112 62.500 62.500 63.391 -0.891 25156 4981 1 7 . 1 1 112 112 SER H H 112 9.082 9.082 8.730 0.352 25156 4982 1 7 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.236 0.064 25156 4983 1 7 . 1 1 114 114 GLU N N 114 122.746 122.746 122.769 -0.023 25156 4984 1 7 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.040 -0.290 25156 4985 1 7 . 1 1 114 114 GLU CA C 114 59.000 59.000 58.766 0.235 25156 4986 1 7 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.396 -0.496 25156 4987 1 7 . 1 1 114 114 GLU H H 114 7.628 7.628 7.798 -0.170 25156 4988 1 7 . 1 1 115 115 PHE N N 115 118.328 118.328 118.760 -0.432 25156 4989 1 7 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.204 0.216 25156 4990 1 7 . 1 1 115 115 PHE CA C 115 61.500 61.500 62.147 -0.647 25156 4991 1 7 . 1 1 115 115 PHE CB C 115 36.900 36.900 38.689 -1.789 25156 4992 1 7 . 1 1 115 115 PHE H H 115 7.102 7.102 7.908 -0.806 25156 4993 1 7 . 1 1 116 116 SER N N 116 115.349 115.349 114.402 0.947 25156 4994 1 7 . 1 1 116 116 SER HA H 116 4.510 4.510 4.266 0.244 25156 4995 1 7 . 1 1 116 116 SER CA C 116 61.700 61.700 61.357 0.343 25156 4996 1 7 . 1 1 116 116 SER CB C 116 62.800 62.800 63.077 -0.277 25156 4997 1 7 . 1 1 116 116 SER H H 116 8.940 8.940 8.092 0.848 25156 4998 1 7 . 1 1 117 117 ALA N N 117 122.730 122.730 124.842 -2.112 25156 4999 1 7 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.070 0.200 25156 5000 1 7 . 1 1 117 117 ALA CA C 117 54.800 54.800 55.057 -0.257 25156 5001 1 7 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.143 -0.743 25156 5002 1 7 . 1 1 117 117 ALA H H 117 7.501 7.501 8.030 -0.529 25156 5003 1 7 . 1 1 118 118 MET N N 118 118.754 118.754 117.168 1.586 25156 5004 1 7 . 1 1 118 118 MET HA H 118 3.950 3.950 4.084 -0.134 25156 5005 1 7 . 1 1 118 118 MET CA C 118 60.300 60.300 59.699 0.601 25156 5006 1 7 . 1 1 118 118 MET CB C 118 31.500 31.500 32.656 -1.156 25156 5007 1 7 . 1 1 118 118 MET H H 118 7.812 7.812 8.536 -0.724 25156 5008 1 7 . 1 1 119 119 TYR N N 119 119.385 119.385 118.886 0.499 25156 5009 1 7 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.275 0.075 25156 5010 1 7 . 1 1 119 119 TYR CA C 119 61.300 61.300 60.902 0.398 25156 5011 1 7 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.607 -1.407 25156 5012 1 7 . 1 1 119 119 TYR H H 119 8.213 8.213 7.715 0.498 25156 5013 1 7 . 1 1 120 120 ASN N N 120 116.665 116.665 119.074 -2.409 25156 5014 1 7 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.336 -0.186 25156 5015 1 7 . 1 1 120 120 ASN CA C 120 56.200 56.200 56.074 0.126 25156 5016 1 7 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.253 -0.753 25156 5017 1 7 . 1 1 120 120 ASN H H 120 8.592 8.592 8.355 0.237 25156 5018 1 7 . 1 1 121 121 MET N N 121 118.788 118.788 118.513 0.275 25156 5019 1 7 . 1 1 121 121 MET HA H 121 4.250 4.250 4.150 0.100 25156 5020 1 7 . 1 1 121 121 MET CA C 121 59.500 59.500 58.130 1.370 25156 5021 1 7 . 1 1 121 121 MET CB C 121 33.800 33.800 31.646 2.154 25156 5022 1 7 . 1 1 121 121 MET H H 121 7.900 7.900 7.686 0.214 25156 5023 1 7 . 1 1 122 122 MET N N 122 118.670 118.670 119.312 -0.642 25156 5024 1 7 . 1 1 122 122 MET HA H 122 3.950 3.950 4.025 -0.075 25156 5025 1 7 . 1 1 122 122 MET CA C 122 60.300 60.300 58.759 1.541 25156 5026 1 7 . 1 1 122 122 MET CB C 122 33.400 33.400 32.100 1.300 25156 5027 1 7 . 1 1 122 122 MET H H 122 7.813 7.813 7.372 0.441 25156 5028 1 7 . 1 1 123 123 LEU N N 123 118.865 118.865 118.259 0.606 25156 5029 1 7 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.928 -0.018 25156 5030 1 7 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.857 -0.357 25156 5031 1 7 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.771 -0.271 25156 5032 1 7 . 1 1 123 123 LEU H H 123 7.941 7.941 7.160 0.781 25156 5033 1 7 . 1 1 124 124 GLU N N 124 121.088 121.088 119.765 1.323 25156 5034 1 7 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.020 -0.070 25156 5035 1 7 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.279 0.021 25156 5036 1 7 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.818 -0.818 25156 5037 1 7 . 1 1 124 124 GLU H H 124 8.398 8.398 7.556 0.842 25156 5038 1 7 . 1 1 125 125 VAL N N 125 112.092 112.092 118.403 -6.311 25156 5039 1 7 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.586 0.414 25156 5040 1 7 . 1 1 125 125 VAL CA C 125 63.100 63.100 64.985 -1.885 25156 5041 1 7 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.201 0.999 25156 5042 1 7 . 1 1 125 125 VAL H H 125 7.682 7.682 8.785 -1.103 25156 5043 1 7 . 1 1 126 126 SER N N 126 116.396 116.396 116.034 0.362 25156 5044 1 7 . 1 1 126 126 SER CA C 126 63.300 63.300 61.755 1.545 25156 5045 1 7 . 1 1 126 126 SER CB C 126 62.800 62.800 62.857 -0.057 25156 5046 1 7 . 1 1 126 126 SER H H 126 7.410 7.410 7.463 -0.053 25156 5047 1 7 . 1 1 127 127 GLY N N 127 107.199 107.199 109.319 -2.120 25156 5048 1 7 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.725 0.375 25156 5049 1 7 . 1 1 127 127 GLY H H 127 7.321 7.321 8.193 -0.872 25156 5050 1 7 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.295 0.015 25156 5051 1 7 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.570 -0.770 25156 5052 1 7 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.449 0.551 25156 5053 1 7 . 1 1 129 129 LEU N N 129 113.172 113.172 114.352 -1.180 25156 5054 1 7 . 1 1 129 129 LEU HA H 129 3.900 3.900 4.210 -0.310 25156 5055 1 7 . 1 1 129 129 LEU CA C 129 57.400 57.400 56.431 0.969 25156 5056 1 7 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.564 -0.564 25156 5057 1 7 . 1 1 129 129 LEU H H 129 6.913 6.913 7.465 -0.552 25156 5058 1 7 . 1 1 130 130 GLU N N 130 121.331 121.331 121.193 0.138 25156 5059 1 7 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.006 0.114 25156 5060 1 7 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.434 -0.134 25156 5061 1 7 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.321 -0.821 25156 5062 1 7 . 1 1 130 130 GLU H H 130 8.203 8.203 8.380 -0.177 25156 5063 1 7 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.082 -0.112 25156 5064 1 7 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.447 0.053 25156 5065 1 7 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.266 -0.066 25156 5066 1 7 . 1 1 132 132 LEU N N 132 115.804 115.804 120.408 -4.604 25156 5067 1 7 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.327 -0.417 25156 5068 1 7 . 1 1 132 132 LEU CA C 132 53.100 53.100 55.946 -2.845 25156 5069 1 7 . 1 1 132 132 LEU CB C 132 41.200 41.200 43.441 -2.241 25156 5070 1 7 . 1 1 132 132 LEU H H 132 6.977 6.977 7.418 -0.441 25156 5071 1 7 . 1 1 133 133 GLY N N 133 105.653 105.653 104.714 0.939 25156 5072 1 7 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.538 0.562 25156 5073 1 7 . 1 1 133 133 GLY H H 133 7.484 7.484 7.678 -0.194 25156 5074 1 7 . 1 1 134 134 VAL CA C 134 62.900 62.900 61.507 1.393 25156 5075 1 7 . 1 1 134 134 VAL CB C 134 31.800 31.800 34.663 -2.864 25156 5076 1 7 . 1 1 137 137 MET CA C 137 58.100 58.100 55.970 2.130 25156 5077 1 7 . 1 1 138 138 THR N N 138 115.359 115.359 112.776 2.583 25156 5078 1 7 . 1 1 138 138 THR CA C 138 67.100 67.100 64.919 2.181 25156 5079 1 7 . 1 1 138 138 THR H H 138 9.225 9.225 8.111 1.114 25156 5080 1 7 . 1 1 139 139 LYS N N 139 123.109 123.109 122.004 1.105 25156 5081 1 7 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.059 0.141 25156 5082 1 7 . 1 1 139 139 LYS CA C 139 57.900 57.900 60.205 -2.305 25156 5083 1 7 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.101 -0.501 25156 5084 1 7 . 1 1 139 139 LYS H H 139 8.172 8.172 7.650 0.522 25156 5085 1 7 . 1 1 140 140 THR N N 140 115.472 115.472 117.064 -1.592 25156 5086 1 7 . 1 1 140 140 THR HA H 140 4.000 4.000 4.051 -0.051 25156 5087 1 7 . 1 1 140 140 THR CA C 140 67.000 67.000 66.318 0.682 25156 5088 1 7 . 1 1 140 140 THR CB C 140 68.200 68.200 68.618 -0.418 25156 5089 1 7 . 1 1 140 140 THR H H 140 8.063 8.063 7.614 0.449 25156 5090 1 7 . 1 1 141 141 VAL N N 141 121.319 121.319 120.956 0.363 25156 5091 1 7 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.749 -0.119 25156 5092 1 7 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.420 0.780 25156 5093 1 7 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.024 0.476 25156 5094 1 7 . 1 1 141 141 VAL H H 141 7.753 7.753 7.518 0.235 25156 5095 1 7 . 1 1 142 142 THR N N 142 114.753 114.753 116.225 -1.472 25156 5096 1 7 . 1 1 142 142 THR HA H 142 4.380 4.380 4.253 0.127 25156 5097 1 7 . 1 1 142 142 THR CA C 142 65.900 65.900 66.577 -0.677 25156 5098 1 7 . 1 1 142 142 THR CB C 142 67.800 67.800 68.543 -0.744 25156 5099 1 7 . 1 1 142 142 THR H H 142 8.965 8.965 8.353 0.612 25156 5100 1 7 . 1 1 143 143 ASP N N 143 123.699 123.699 122.823 0.876 25156 5101 1 7 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.414 -0.004 25156 5102 1 7 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.128 -0.328 25156 5103 1 7 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.561 -1.561 25156 5104 1 7 . 1 1 143 143 ASP H H 143 9.254 9.254 8.519 0.735 25156 5105 1 7 . 1 1 144 144 ALA N N 144 122.856 122.856 121.556 1.300 25156 5106 1 7 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.090 0.250 25156 5107 1 7 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.864 -0.164 25156 5108 1 7 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.506 0.694 25156 5109 1 7 . 1 1 144 144 ALA H H 144 7.668 7.668 7.787 -0.119 25156 5110 1 7 . 1 1 145 145 ALA N N 145 119.307 119.307 120.051 -0.744 25156 5111 1 7 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.185 0.355 25156 5112 1 7 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.499 -1.799 25156 5113 1 7 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.471 -0.271 25156 5114 1 7 . 1 1 145 145 ALA H H 145 7.718 7.718 7.681 0.037 25156 5115 1 7 . 1 1 146 146 GLU N N 146 115.837 115.837 118.273 -2.436 25156 5116 1 7 . 1 1 146 146 GLU HA H 146 4.190 4.190 3.960 0.230 25156 5117 1 7 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.804 -1.504 25156 5118 1 7 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.495 -0.395 25156 5119 1 7 . 1 1 146 146 GLU H H 146 7.491 7.491 7.916 -0.425 25156 5120 1 7 . 1 1 147 147 GLN N N 147 115.066 115.066 117.314 -2.248 25156 5121 1 7 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.154 0.046 25156 5122 1 7 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.608 -1.308 25156 5123 1 7 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.507 0.593 25156 5124 1 7 . 1 1 147 147 GLN H H 147 7.248 7.248 7.584 -0.336 25156 5125 1 7 . 1 1 148 148 HIS N N 148 119.398 119.398 118.417 0.981 25156 5126 1 7 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.630 0.370 25156 5127 1 7 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.119 -1.619 25156 5128 1 7 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.241 2.359 25156 5129 1 7 . 1 1 148 148 HIS H H 148 7.747 7.747 7.603 0.144 25156 5130 1 7 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.418 0.052 25156 5131 1 7 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.800 -1.500 25156 5132 1 7 . 1 1 149 149 PRO CB C 149 32.300 32.300 31.596 0.704 25156 5133 1 7 . 1 1 150 150 THR N N 150 108.042 108.042 118.834 -10.792 25156 5134 1 7 . 1 1 150 150 THR HA H 150 4.040 4.040 3.770 0.270 25156 5135 1 7 . 1 1 150 150 THR CA C 150 60.700 60.700 65.026 -4.326 25156 5136 1 7 . 1 1 150 150 THR CB C 150 68.400 68.400 68.478 -0.078 25156 5137 1 7 . 1 1 150 150 THR H H 150 7.864 7.864 8.347 -0.483 25156 5138 1 7 . 1 1 151 151 THR N N 151 134.400 134.400 109.590 24.810 25156 5139 1 7 . 1 1 151 151 THR HA H 151 4.550 4.550 4.519 0.031 25156 5140 1 7 . 1 1 151 151 THR CA C 151 60.400 60.400 60.750 -0.350 25156 5141 1 7 . 1 1 151 151 THR CB C 151 68.900 68.900 68.792 0.108 25156 5142 1 7 . 1 1 151 151 THR H H 151 6.900 6.900 7.605 -0.705 25156 5143 1 7 . 1 1 152 152 THR N N 152 108.396 108.396 114.805 -6.409 25156 5144 1 7 . 1 1 152 152 THR HA H 152 4.290 4.290 4.468 -0.178 25156 5145 1 7 . 1 1 152 152 THR CA C 152 57.700 57.700 59.404 -1.704 25156 5146 1 7 . 1 1 152 152 THR CB C 152 71.500 71.500 69.954 1.546 25156 5147 1 7 . 1 1 152 152 THR H H 152 7.104 7.104 7.528 -0.424 25156 5148 1 7 . 1 1 153 153 ALA N N 153 122.816 122.816 122.889 -0.073 25156 5149 1 7 . 1 1 153 153 ALA HA H 153 3.030 3.030 3.805 -0.775 25156 5150 1 7 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.933 -1.233 25156 5151 1 7 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.125 0.675 25156 5152 1 7 . 1 1 153 153 ALA H H 153 7.580 7.580 8.181 -0.601 25156 5153 1 7 . 1 1 154 154 GLU N N 154 113.788 113.788 118.863 -5.075 25156 5154 1 7 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.185 -0.445 25156 5155 1 7 . 1 1 154 154 GLU CA C 154 59.800 59.800 57.503 2.297 25156 5156 1 7 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.247 -0.947 25156 5157 1 7 . 1 1 154 154 GLU H H 154 8.544 8.544 8.539 0.005 25156 5158 1 7 . 1 1 155 155 GLY N N 155 108.136 108.136 109.244 -1.108 25156 5159 1 7 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.127 -0.227 25156 5160 1 7 . 1 1 155 155 GLY H H 155 7.973 7.973 7.713 0.260 25156 5161 1 7 . 1 1 156 156 ILE N N 156 119.992 119.992 122.970 -2.978 25156 5162 1 7 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.665 0.035 25156 5163 1 7 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.338 -3.938 25156 5164 1 7 . 1 1 156 156 ILE CB C 156 34.700 34.700 38.037 -3.337 25156 5165 1 7 . 1 1 156 156 ILE H H 156 7.688 7.688 8.675 -0.987 25156 5166 1 7 . 1 1 157 157 LEU N N 157 118.638 118.638 119.325 -0.687 25156 5167 1 7 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.907 -0.017 25156 5168 1 7 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.225 -0.125 25156 5169 1 7 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.367 -0.666 25156 5170 1 7 . 1 1 157 157 LEU H H 157 8.535 8.535 7.662 0.873 25156 5171 1 7 . 1 1 158 158 GLU N N 158 119.400 119.400 119.214 0.186 25156 5172 1 7 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.080 -0.120 25156 5173 1 7 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.081 -0.881 25156 5174 1 7 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.990 -2.890 25156 5175 1 7 . 1 1 158 158 GLU H H 158 7.606 7.606 7.786 -0.180 25156 5176 1 7 . 1 1 159 159 ILE N N 159 122.226 122.226 120.303 1.923 25156 5177 1 7 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.616 -0.146 25156 5178 1 7 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.226 1.774 25156 5179 1 7 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.776 0.724 25156 5180 1 7 . 1 1 159 159 ILE H H 159 8.285 8.285 8.621 -0.336 25156 5181 1 7 . 1 1 160 160 ALA N N 160 121.722 121.722 122.908 -1.186 25156 5182 1 7 . 1 1 160 160 ALA HA H 160 3.900 3.900 4.026 -0.126 25156 5183 1 7 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.883 0.117 25156 5184 1 7 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.881 0.019 25156 5185 1 7 . 1 1 160 160 ALA H H 160 9.171 9.171 8.387 0.784 25156 5186 1 7 . 1 1 161 161 LYS N N 161 117.720 117.720 118.688 -0.968 25156 5187 1 7 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.981 -0.111 25156 5188 1 7 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.316 0.184 25156 5189 1 7 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.267 -0.667 25156 5190 1 7 . 1 1 161 161 LYS H H 161 7.661 7.661 7.385 0.276 25156 5191 1 7 . 1 1 162 162 ILE N N 162 122.241 122.241 119.182 3.059 25156 5192 1 7 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.795 -0.085 25156 5193 1 7 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.225 0.875 25156 5194 1 7 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.062 0.038 25156 5195 1 7 . 1 1 162 162 ILE H H 162 7.587 7.587 7.709 -0.122 25156 5196 1 7 . 1 1 163 163 MET N N 163 120.758 120.758 119.094 1.664 25156 5197 1 7 . 1 1 163 163 MET HA H 163 3.790 3.790 4.023 -0.233 25156 5198 1 7 . 1 1 163 163 MET CA C 163 60.200 60.200 59.494 0.706 25156 5199 1 7 . 1 1 163 163 MET CB C 163 32.200 32.200 32.391 -0.191 25156 5200 1 7 . 1 1 163 163 MET H H 163 8.581 8.581 7.413 1.168 25156 5201 1 7 . 1 1 164 164 LYS N N 164 118.723 118.723 117.925 0.798 25156 5202 1 7 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.993 -0.243 25156 5203 1 7 . 1 1 164 164 LYS CA C 164 60.300 60.300 60.072 0.228 25156 5204 1 7 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.079 -0.279 25156 5205 1 7 . 1 1 164 164 LYS H H 164 9.221 9.221 7.982 1.239 25156 5206 1 7 . 1 1 165 165 THR N N 165 115.639 115.639 113.934 1.705 25156 5207 1 7 . 1 1 165 165 THR HA H 165 4.270 4.270 3.961 0.309 25156 5208 1 7 . 1 1 165 165 THR CA C 165 66.400 66.400 67.537 -1.137 25156 5209 1 7 . 1 1 165 165 THR CB C 165 68.200 68.200 68.416 -0.216 25156 5210 1 7 . 1 1 165 165 THR H H 165 8.336 8.336 7.545 0.791 25156 5211 1 7 . 1 1 166 166 LYS N N 166 121.525 121.525 121.407 0.118 25156 5212 1 7 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.240 -0.070 25156 5213 1 7 . 1 1 166 166 LYS CA C 166 58.800 58.800 58.587 0.213 25156 5214 1 7 . 1 1 166 166 LYS CB C 166 30.600 30.600 31.732 -1.132 25156 5215 1 7 . 1 1 166 166 LYS H H 166 7.357 7.357 7.518 -0.161 25156 5216 1 7 . 1 1 167 167 LEU N N 167 117.600 117.600 121.964 -4.364 25156 5217 1 7 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.019 -0.129 25156 5218 1 7 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.200 -0.101 25156 5219 1 7 . 1 1 167 167 LEU CB C 167 42.000 42.000 42.114 -0.114 25156 5220 1 7 . 1 1 167 167 LEU H H 167 8.090 8.090 7.893 0.197 25156 5221 1 7 . 1 1 168 168 GLN N N 168 117.484 117.484 117.192 0.292 25156 5222 1 7 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.215 -0.105 25156 5223 1 7 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.138 0.162 25156 5224 1 7 . 1 1 168 168 GLN CB C 168 27.600 27.600 29.142 -1.542 25156 5225 1 7 . 1 1 168 168 GLN H H 168 8.793 8.793 7.765 1.028 25156 5226 1 7 . 1 1 169 169 ARG N N 169 121.344 121.344 120.694 0.650 25156 5227 1 7 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.036 0.194 25156 5228 1 7 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.715 -0.315 25156 5229 1 7 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.152 -1.052 25156 5230 1 7 . 1 1 169 169 ARG H H 169 8.051 8.051 7.810 0.241 25156 5231 1 7 . 1 1 170 170 VAL N N 170 120.397 120.397 119.191 1.206 25156 5232 1 7 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.680 0.080 25156 5233 1 7 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.723 -0.423 25156 5234 1 7 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.782 -0.182 25156 5235 1 7 . 1 1 170 170 VAL H H 170 7.911 7.911 7.789 0.122 25156 5236 1 7 . 1 1 171 171 HIS N N 171 122.970 122.970 117.274 5.696 25156 5237 1 7 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.388 -0.378 25156 5238 1 7 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.092 0.208 25156 5239 1 7 . 1 1 171 171 HIS CB C 171 29.600 29.600 29.673 -0.073 25156 5240 1 7 . 1 1 171 171 HIS H H 171 9.281 9.281 7.582 1.699 25156 5241 1 7 . 1 1 172 172 THR N N 172 115.729 115.729 117.145 -1.416 25156 5242 1 7 . 1 1 172 172 THR HA H 172 4.360 4.360 4.173 0.187 25156 5243 1 7 . 1 1 172 172 THR CA C 172 67.100 67.100 67.407 -0.307 25156 5244 1 7 . 1 1 172 172 THR CB C 172 68.600 68.600 68.336 0.264 25156 5245 1 7 . 1 1 172 172 THR H H 172 8.977 8.977 8.597 0.380 25156 5246 1 7 . 1 1 173 173 LYS N N 173 119.978 119.978 121.921 -1.943 25156 5247 1 7 . 1 1 173 173 LYS HA H 173 4.200 4.200 3.934 0.266 25156 5248 1 7 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.860 -0.360 25156 5249 1 7 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.424 -0.324 25156 5250 1 7 . 1 1 173 173 LYS H H 173 7.959 7.959 8.498 -0.539 25156 5251 1 7 . 1 1 174 174 ASN N N 174 116.606 116.606 117.216 -0.610 25156 5252 1 7 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.403 0.047 25156 5253 1 7 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.784 1.716 25156 5254 1 7 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.286 1.714 25156 5255 1 7 . 1 1 174 174 ASN H H 174 7.640 7.640 7.712 -0.072 25156 5256 1 7 . 1 1 175 175 TYR N N 175 122.163 122.163 122.390 -0.227 25156 5257 1 7 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.143 -0.113 25156 5258 1 7 . 1 1 175 175 TYR CA C 175 61.100 61.100 62.022 -0.922 25156 5259 1 7 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.425 -0.425 25156 5260 1 7 . 1 1 175 175 TYR H H 175 9.079 9.079 8.213 0.866 25156 5261 1 7 . 1 1 176 176 CYS N N 176 116.655 116.655 117.503 -0.848 25156 5262 1 7 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.242 0.498 25156 5263 1 7 . 1 1 176 176 CYS CA C 176 58.800 58.800 62.308 -3.508 25156 5264 1 7 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.814 13.486 25156 5265 1 7 . 1 1 176 176 CYS H H 176 8.799 8.799 8.689 0.110 25156 5266 1 7 . 1 1 177 177 ALA N N 177 120.661 120.661 121.004 -0.343 25156 5267 1 7 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.105 -0.025 25156 5268 1 7 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.382 0.118 25156 5269 1 7 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.434 0.366 25156 5270 1 7 . 1 1 177 177 ALA H H 177 7.337 7.337 7.651 -0.314 25156 5271 1 7 . 1 1 178 178 LEU N N 178 120.820 120.820 120.976 -0.156 25156 5272 1 7 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.951 -0.101 25156 5273 1 7 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.393 0.107 25156 5274 1 7 . 1 1 178 178 LEU CB C 178 41.700 41.700 41.751 -0.051 25156 5275 1 7 . 1 1 178 178 LEU H H 178 8.075 8.075 7.023 1.052 25156 5276 1 7 . 1 1 179 179 GLU N N 179 117.503 117.503 117.777 -0.274 25156 5277 1 7 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.724 -0.214 25156 5278 1 7 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.390 -0.490 25156 5279 1 7 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.581 -2.181 25156 5280 1 7 . 1 1 179 179 GLU H H 179 8.066 8.066 7.472 0.594 25156 5281 1 7 . 1 1 180 180 LYS N N 180 118.823 118.823 120.075 -1.252 25156 5282 1 7 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.270 0.000 25156 5283 1 7 . 1 1 180 180 LYS CA C 180 57.300 57.300 58.978 -1.678 25156 5284 1 7 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.394 -0.394 25156 5285 1 7 . 1 1 180 180 LYS H H 180 7.424 7.424 7.450 -0.026 25156 5286 1 7 . 1 1 181 181 LYS N N 181 118.403 118.403 118.387 0.016 25156 5287 1 7 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.013 -0.023 25156 5288 1 7 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.810 -0.910 25156 5289 1 7 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.288 -0.688 25156 5290 1 7 . 1 1 181 181 LYS H H 181 7.381 7.381 7.598 -0.217 25156 5291 1 7 . 1 1 182 182 LYS N N 182 116.472 116.472 116.574 -0.102 25156 5292 1 7 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.076 -0.046 25156 5293 1 7 . 1 1 182 182 LYS CA C 182 57.900 57.900 58.070 -0.170 25156 5294 1 7 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.787 -0.087 25156 5295 1 7 . 1 1 182 182 LYS H H 182 7.374 7.374 7.569 -0.195 25156 5296 1 7 . 1 1 183 183 ASN N N 183 114.082 114.082 113.029 1.053 25156 5297 1 7 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.035 0.015 25156 5298 1 7 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.684 -1.984 25156 5299 1 7 . 1 1 183 183 ASN CB C 183 39.100 39.100 40.326 -1.226 25156 5300 1 7 . 1 1 183 183 ASN H H 183 7.643 7.643 7.604 0.039 25156 5301 1 7 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.459 0.141 25156 5302 1 7 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.660 -0.560 25156 5303 1 7 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.959 -0.059 25156 5304 1 7 . 1 1 185 185 ASN N N 185 114.209 114.209 114.688 -0.479 25156 5305 1 7 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.581 0.239 25156 5306 1 7 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.512 -0.912 25156 5307 1 7 . 1 1 185 185 ASN CB C 185 38.300 38.300 38.148 0.152 25156 5308 1 7 . 1 1 185 185 ASN H H 185 7.866 7.866 8.167 -0.301 25156 5309 1 7 . 1 1 186 186 PHE N N 186 122.429 122.429 123.167 -0.738 25156 5310 1 7 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.436 -0.086 25156 5311 1 7 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.108 -0.308 25156 5312 1 7 . 1 1 186 186 PHE CB C 186 39.600 39.600 38.840 0.760 25156 5313 1 7 . 1 1 186 186 PHE H H 186 8.035 8.035 7.491 0.544 25156 5314 1 7 . 1 1 187 187 THR N N 187 120.308 120.308 121.453 -1.145 25156 5315 1 7 . 1 1 187 187 THR HA H 187 4.110 4.110 4.049 0.061 25156 5316 1 7 . 1 1 187 187 THR CA C 187 59.700 59.700 61.580 -1.880 25156 5317 1 7 . 1 1 187 187 THR CB C 187 70.400 70.400 71.742 -1.342 25156 5318 1 7 . 1 1 187 187 THR H H 187 7.687 7.687 7.938 -0.251 25156 5319 1 7 . 1 1 188 188 ASP N N 188 122.010 122.010 121.297 0.713 25156 5320 1 7 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.692 -0.312 25156 5321 1 7 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.232 0.768 25156 5322 1 7 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.407 2.594 25156 5323 1 7 . 1 1 188 188 ASP H H 188 7.732 7.732 7.730 0.002 25156 5324 1 7 . 1 1 189 189 GLU N N 189 127.772 127.772 119.365 8.407 25156 5325 1 7 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.064 -0.064 25156 5326 1 7 . 1 1 189 189 GLU CA C 189 58.900 58.900 59.077 -0.177 25156 5327 1 7 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.865 -0.965 25156 5328 1 7 . 1 1 189 189 GLU H H 189 9.002 9.002 8.543 0.459 25156 5329 1 7 . 1 1 190 190 LYS N N 190 117.753 117.753 118.692 -0.939 25156 5330 1 7 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.156 0.074 25156 5331 1 7 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.388 0.212 25156 5332 1 7 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.610 -0.710 25156 5333 1 7 . 1 1 190 190 LYS H H 190 9.144 9.144 8.002 1.142 25156 5334 1 7 . 1 1 191 191 CYS N N 191 115.894 115.894 117.939 -2.045 25156 5335 1 7 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.525 0.445 25156 5336 1 7 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.119 -5.319 25156 5337 1 7 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.917 10.383 25156 5338 1 7 . 1 1 191 191 CYS H H 191 7.999 7.999 7.671 0.328 25156 5339 1 7 . 1 1 192 192 LYS N N 192 121.894 121.894 122.734 -0.840 25156 5340 1 7 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.132 0.158 25156 5341 1 7 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.537 0.063 25156 5342 1 7 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.167 -0.567 25156 5343 1 7 . 1 1 192 192 LYS H H 192 7.718 7.718 8.294 -0.576 25156 5344 1 7 . 1 1 193 193 ASN N N 193 118.976 118.976 121.854 -2.878 25156 5345 1 7 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.597 0.193 25156 5346 1 7 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.230 -0.230 25156 5347 1 7 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.492 0.008 25156 5348 1 7 . 1 1 193 193 ASN H H 193 8.497 8.497 8.453 0.044 25156 5349 1 8 . 1 1 30 30 LEU N N 30 118.365 118.365 123.077 -4.712 25156 5350 1 8 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.588 -0.228 25156 5351 1 8 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.609 -0.209 25156 5352 1 8 . 1 1 30 30 LEU CB C 30 43.200 43.200 43.094 0.106 25156 5353 1 8 . 1 1 30 30 LEU H H 30 8.544 8.544 8.373 0.171 25156 5354 1 8 . 1 1 31 31 LYS N N 31 119.962 119.962 120.475 -0.513 25156 5355 1 8 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.512 0.148 25156 5356 1 8 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.392 -0.891 25156 5357 1 8 . 1 1 31 31 LYS CB C 31 35.700 35.700 35.147 0.553 25156 5358 1 8 . 1 1 31 31 LYS H H 31 9.499 9.499 8.135 1.364 25156 5359 1 8 . 1 1 32 32 GLY N N 32 107.471 107.471 110.315 -2.844 25156 5360 1 8 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.700 1.200 25156 5361 1 8 . 1 1 32 32 GLY H H 32 8.548 8.548 8.226 0.322 25156 5362 1 8 . 1 1 33 33 GLU N N 33 124.823 124.823 119.266 5.557 25156 5363 1 8 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.071 -0.061 25156 5364 1 8 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.878 -0.478 25156 5365 1 8 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.622 -0.822 25156 5366 1 8 . 1 1 33 33 GLU H H 33 9.049 9.049 8.769 0.280 25156 5367 1 8 . 1 1 34 34 THR N N 34 116.008 116.008 114.667 1.341 25156 5368 1 8 . 1 1 34 34 THR HA H 34 4.150 4.150 3.991 0.159 25156 5369 1 8 . 1 1 34 34 THR CA C 34 66.200 66.200 65.898 0.302 25156 5370 1 8 . 1 1 34 34 THR CB C 34 68.500 68.500 68.243 0.257 25156 5371 1 8 . 1 1 34 34 THR H H 34 7.772 7.772 8.526 -0.754 25156 5372 1 8 . 1 1 35 35 LYS N N 35 119.081 119.081 120.913 -1.832 25156 5373 1 8 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.191 -0.541 25156 5374 1 8 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.084 0.316 25156 5375 1 8 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.789 -0.489 25156 5376 1 8 . 1 1 35 35 LYS H H 35 6.838 6.838 7.520 -0.682 25156 5377 1 8 . 1 1 36 36 ILE N N 36 116.476 116.476 115.256 1.220 25156 5378 1 8 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.145 -0.405 25156 5379 1 8 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.620 1.180 25156 5380 1 8 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.678 0.422 25156 5381 1 8 . 1 1 36 36 ILE H H 36 7.020 7.020 7.338 -0.318 25156 5382 1 8 . 1 1 37 37 ILE N N 37 119.272 119.272 122.946 -3.674 25156 5383 1 8 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.605 0.085 25156 5384 1 8 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.444 -0.944 25156 5385 1 8 . 1 1 37 37 ILE CB C 37 39.400 39.400 37.981 1.419 25156 5386 1 8 . 1 1 37 37 ILE H H 37 8.507 8.507 8.876 -0.369 25156 5387 1 8 . 1 1 38 38 LEU N N 38 118.624 118.624 119.933 -1.309 25156 5388 1 8 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.115 0.155 25156 5389 1 8 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.193 -0.593 25156 5390 1 8 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.474 -1.375 25156 5391 1 8 . 1 1 38 38 LEU H H 38 8.363 8.363 8.052 0.311 25156 5392 1 8 . 1 1 39 39 GLU N N 39 118.123 118.123 119.018 -0.895 25156 5393 1 8 . 1 1 39 39 GLU HA H 39 4.000 4.000 3.978 0.022 25156 5394 1 8 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.766 0.134 25156 5395 1 8 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.279 -1.279 25156 5396 1 8 . 1 1 39 39 GLU H H 39 8.663 8.663 7.661 1.002 25156 5397 1 8 . 1 1 40 40 ARG N N 40 120.230 120.230 119.370 0.860 25156 5398 1 8 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.036 0.154 25156 5399 1 8 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.461 -0.961 25156 5400 1 8 . 1 1 40 40 ARG CB C 40 29.500 29.500 30.173 -0.673 25156 5401 1 8 . 1 1 40 40 ARG H H 40 7.977 7.977 8.733 -0.756 25156 5402 1 8 . 1 1 41 41 SER N N 41 114.690 114.690 114.620 0.070 25156 5403 1 8 . 1 1 41 41 SER HA H 41 4.210 4.210 4.306 -0.096 25156 5404 1 8 . 1 1 41 41 SER CA C 41 61.900 61.900 61.149 0.751 25156 5405 1 8 . 1 1 41 41 SER CB C 41 63.000 63.000 63.034 -0.034 25156 5406 1 8 . 1 1 41 41 SER H H 41 7.975 7.975 7.734 0.241 25156 5407 1 8 . 1 1 42 42 ALA N N 42 124.202 124.202 123.147 1.055 25156 5408 1 8 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.091 -0.421 25156 5409 1 8 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.240 0.460 25156 5410 1 8 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.274 -1.074 25156 5411 1 8 . 1 1 42 42 ALA H H 42 8.578 8.578 7.782 0.796 25156 5412 1 8 . 1 1 43 43 LYS N N 43 121.324 121.324 120.220 1.104 25156 5413 1 8 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.968 0.092 25156 5414 1 8 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.589 -1.189 25156 5415 1 8 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.346 -1.046 25156 5416 1 8 . 1 1 43 43 LYS H H 43 7.958 7.958 8.057 -0.099 25156 5417 1 8 . 1 1 44 44 ASP N N 44 118.176 118.176 119.361 -1.185 25156 5418 1 8 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.605 -0.215 25156 5419 1 8 . 1 1 44 44 ASP CA C 44 57.200 57.200 56.872 0.328 25156 5420 1 8 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.468 -1.168 25156 5421 1 8 . 1 1 44 44 ASP H H 44 8.111 8.111 7.525 0.586 25156 5422 1 8 . 1 1 45 45 ILE N N 45 117.643 117.643 118.635 -0.992 25156 5423 1 8 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.676 0.144 25156 5424 1 8 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.808 -0.108 25156 5425 1 8 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.727 -0.127 25156 5426 1 8 . 1 1 45 45 ILE H H 45 7.417 7.417 7.399 0.018 25156 5427 1 8 . 1 1 46 46 THR N N 46 116.310 116.310 116.052 0.258 25156 5428 1 8 . 1 1 46 46 THR HA H 46 4.160 4.160 3.931 0.229 25156 5429 1 8 . 1 1 46 46 THR CA C 46 66.200 66.200 66.832 -0.632 25156 5430 1 8 . 1 1 46 46 THR CB C 46 67.500 67.500 68.478 -0.978 25156 5431 1 8 . 1 1 46 46 THR H H 46 7.702 7.702 7.860 -0.158 25156 5432 1 8 . 1 1 47 47 ASP N N 47 121.550 121.550 119.567 1.983 25156 5433 1 8 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.495 -0.035 25156 5434 1 8 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.305 0.695 25156 5435 1 8 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.038 -0.638 25156 5436 1 8 . 1 1 47 47 ASP H H 47 9.154 9.154 7.884 1.270 25156 5437 1 8 . 1 1 48 48 GLU N N 48 122.105 122.105 120.866 1.239 25156 5438 1 8 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.018 0.252 25156 5439 1 8 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.387 -0.887 25156 5440 1 8 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.360 -0.360 25156 5441 1 8 . 1 1 48 48 GLU H H 48 7.812 7.812 8.023 -0.211 25156 5442 1 8 . 1 1 49 49 ILE N N 49 119.770 119.770 118.189 1.581 25156 5443 1 8 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.739 -0.159 25156 5444 1 8 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.723 1.977 25156 5445 1 8 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.554 0.346 25156 5446 1 8 . 1 1 49 49 ILE H H 49 8.655 8.655 7.507 1.148 25156 5447 1 8 . 1 1 50 50 ASN N N 50 118.094 118.094 118.128 -0.034 25156 5448 1 8 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.338 0.122 25156 5449 1 8 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.058 -0.158 25156 5450 1 8 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.445 -1.445 25156 5451 1 8 . 1 1 50 50 ASN H H 50 8.399 8.399 7.807 0.592 25156 5452 1 8 . 1 1 51 51 LYS N N 51 122.985 122.985 120.374 2.611 25156 5453 1 8 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.013 0.087 25156 5454 1 8 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.431 0.069 25156 5455 1 8 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.241 -0.541 25156 5456 1 8 . 1 1 51 51 LYS H H 51 7.949 7.949 7.986 -0.037 25156 5457 1 8 . 1 1 52 52 ILE N N 52 121.342 121.342 118.985 2.357 25156 5458 1 8 . 1 1 52 52 ILE HA H 52 3.790 3.790 4.011 -0.221 25156 5459 1 8 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.209 2.591 25156 5460 1 8 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.781 1.719 25156 5461 1 8 . 1 1 52 52 ILE H H 52 8.584 8.584 7.659 0.925 25156 5462 1 8 . 1 1 53 53 LYS N N 53 118.268 118.268 120.387 -2.119 25156 5463 1 8 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.618 0.302 25156 5464 1 8 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.652 0.748 25156 5465 1 8 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.622 0.478 25156 5466 1 8 . 1 1 53 53 LYS H H 53 8.548 8.548 7.769 0.779 25156 5467 1 8 . 1 1 54 54 LYS N N 54 122.485 122.485 118.954 3.531 25156 5468 1 8 . 1 1 54 54 LYS HA H 54 4.160 4.160 4.051 0.109 25156 5469 1 8 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.086 -0.186 25156 5470 1 8 . 1 1 54 54 LYS CB C 54 31.800 31.800 31.812 -0.012 25156 5471 1 8 . 1 1 54 54 LYS H H 54 7.855 7.855 7.630 0.225 25156 5472 1 8 . 1 1 55 55 ASP N N 55 120.775 120.775 119.559 1.216 25156 5473 1 8 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.450 -0.110 25156 5474 1 8 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.169 -0.268 25156 5475 1 8 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.351 -0.451 25156 5476 1 8 . 1 1 55 55 ASP H H 55 8.813 8.813 7.683 1.130 25156 5477 1 8 . 1 1 56 56 ALA N N 56 123.205 123.205 122.128 1.077 25156 5478 1 8 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.175 -0.655 25156 5479 1 8 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.212 -0.112 25156 5480 1 8 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.719 -1.619 25156 5481 1 8 . 1 1 56 56 ALA H H 56 9.101 9.101 8.711 0.390 25156 5482 1 8 . 1 1 57 57 ALA N N 57 121.461 121.461 120.554 0.907 25156 5483 1 8 . 1 1 57 57 ALA HA H 57 4.240 4.240 4.015 0.225 25156 5484 1 8 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.719 0.081 25156 5485 1 8 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.440 -1.140 25156 5486 1 8 . 1 1 57 57 ALA H H 57 7.770 7.770 8.334 -0.564 25156 5487 1 8 . 1 1 58 58 ASP N N 58 119.548 119.548 118.050 1.498 25156 5488 1 8 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.459 -0.069 25156 5489 1 8 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.208 0.192 25156 5490 1 8 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.987 -1.187 25156 5491 1 8 . 1 1 58 58 ASP H H 58 8.443 8.443 8.115 0.328 25156 5492 1 8 . 1 1 59 59 ASN N N 59 115.622 115.622 114.925 0.697 25156 5493 1 8 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.657 -0.007 25156 5494 1 8 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.899 0.101 25156 5495 1 8 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.886 0.314 25156 5496 1 8 . 1 1 59 59 ASN H H 59 7.500 7.500 7.797 -0.297 25156 5497 1 8 . 1 1 60 60 ASN N N 60 116.019 116.019 115.652 0.367 25156 5498 1 8 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.320 0.010 25156 5499 1 8 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.142 0.158 25156 5500 1 8 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.690 0.010 25156 5501 1 8 . 1 1 60 60 ASN H H 60 7.930 7.930 7.946 -0.016 25156 5502 1 8 . 1 1 61 61 VAL N N 61 119.072 119.072 119.547 -0.475 25156 5503 1 8 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.136 -0.176 25156 5504 1 8 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.574 0.926 25156 5505 1 8 . 1 1 61 61 VAL CB C 61 32.600 32.600 33.389 -0.789 25156 5506 1 8 . 1 1 61 61 VAL H H 61 8.245 8.245 8.031 0.214 25156 5507 1 8 . 1 1 62 62 ASN N N 62 125.564 125.564 125.404 0.160 25156 5508 1 8 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.546 0.094 25156 5509 1 8 . 1 1 62 62 ASN CA C 62 52.100 52.100 54.036 -1.936 25156 5510 1 8 . 1 1 62 62 ASN CB C 62 38.600 38.600 37.681 0.919 25156 5511 1 8 . 1 1 62 62 ASN H H 62 8.524 8.524 8.806 -0.282 25156 5512 1 8 . 1 1 63 63 PHE N N 63 125.711 125.711 125.888 -0.177 25156 5513 1 8 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.887 -1.187 25156 5514 1 8 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.399 -1.099 25156 5515 1 8 . 1 1 63 63 PHE H H 63 8.904 8.904 8.360 0.544 25156 5516 1 8 . 1 1 64 64 ALA N N 64 121.816 121.816 121.530 0.286 25156 5517 1 8 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.935 0.265 25156 5518 1 8 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.248 -0.448 25156 5519 1 8 . 1 1 64 64 ALA CB C 64 17.700 17.700 18.088 -0.388 25156 5520 1 8 . 1 1 64 64 ALA H H 64 8.492 8.492 8.692 -0.200 25156 5521 1 8 . 1 1 65 65 ALA N N 65 118.873 118.873 121.284 -2.411 25156 5522 1 8 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.003 0.177 25156 5523 1 8 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.414 -1.014 25156 5524 1 8 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.195 0.305 25156 5525 1 8 . 1 1 65 65 ALA H H 65 7.984 7.984 7.373 0.611 25156 5526 1 8 . 1 1 66 66 PHE N N 66 115.587 115.587 115.654 -0.067 25156 5527 1 8 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.030 0.030 25156 5528 1 8 . 1 1 66 66 PHE CA C 66 60.700 60.700 61.776 -1.076 25156 5529 1 8 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.422 0.078 25156 5530 1 8 . 1 1 66 66 PHE H H 66 7.795 7.795 8.378 -0.583 25156 5531 1 8 . 1 1 67 67 THR N N 67 109.477 109.477 110.024 -0.547 25156 5532 1 8 . 1 1 67 67 THR HA H 67 4.330 4.330 4.220 0.110 25156 5533 1 8 . 1 1 67 67 THR CA C 67 61.900 61.900 62.814 -0.914 25156 5534 1 8 . 1 1 67 67 THR CB C 67 69.000 69.000 70.411 -1.411 25156 5535 1 8 . 1 1 67 67 THR H H 67 7.563 7.563 7.467 0.096 25156 5536 1 8 . 1 1 68 68 ASP N N 68 122.883 122.883 121.137 1.746 25156 5537 1 8 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.360 0.290 25156 5538 1 8 . 1 1 68 68 ASP CA C 68 54.600 54.600 56.279 -1.679 25156 5539 1 8 . 1 1 68 68 ASP CB C 68 40.900 40.900 39.761 1.139 25156 5540 1 8 . 1 1 68 68 ASP H H 68 7.969 7.969 8.545 -0.576 25156 5541 1 8 . 1 1 69 69 SER N N 69 115.778 115.778 117.155 -1.377 25156 5542 1 8 . 1 1 69 69 SER HA H 69 4.410 4.410 4.462 -0.052 25156 5543 1 8 . 1 1 69 69 SER CA C 69 58.500 58.500 57.755 0.745 25156 5544 1 8 . 1 1 69 69 SER CB C 69 63.400 63.400 63.980 -0.580 25156 5545 1 8 . 1 1 69 69 SER H H 69 8.277 8.277 8.410 -0.133 25156 5546 1 8 . 1 1 70 70 GLU N N 70 122.040 122.040 121.836 0.204 25156 5547 1 8 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.131 0.229 25156 5548 1 8 . 1 1 70 70 GLU CA C 70 56.600 56.600 58.624 -2.024 25156 5549 1 8 . 1 1 70 70 GLU CB C 70 29.300 29.300 30.071 -0.771 25156 5550 1 8 . 1 1 70 70 GLU H H 70 8.464 8.464 8.664 -0.200 25156 5551 1 8 . 1 1 71 71 THR N N 71 113.162 113.162 111.848 1.314 25156 5552 1 8 . 1 1 71 71 THR HA H 71 4.320 4.320 4.454 -0.134 25156 5553 1 8 . 1 1 71 71 THR CA C 71 61.900 61.900 61.417 0.483 25156 5554 1 8 . 1 1 71 71 THR CB C 71 69.200 69.200 69.974 -0.774 25156 5555 1 8 . 1 1 71 71 THR H H 71 8.060 8.060 7.415 0.645 25156 5556 1 8 . 1 1 72 72 GLY N N 72 111.140 111.140 113.830 -2.690 25156 5557 1 8 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.063 0.137 25156 5558 1 8 . 1 1 72 72 GLY H H 72 8.412 8.412 8.474 -0.062 25156 5559 1 8 . 1 1 73 73 SER N N 73 115.757 115.757 113.051 2.706 25156 5560 1 8 . 1 1 73 73 SER HA H 73 4.410 4.410 4.073 0.337 25156 5561 1 8 . 1 1 73 73 SER CA C 73 58.400 58.400 59.380 -0.980 25156 5562 1 8 . 1 1 73 73 SER CB C 73 63.400 63.400 63.212 0.188 25156 5563 1 8 . 1 1 73 73 SER H H 73 8.237 8.237 8.417 -0.180 25156 5564 1 8 . 1 1 75 75 VAL N N 75 118.866 118.866 124.979 -6.113 25156 5565 1 8 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.194 -0.044 25156 5566 1 8 . 1 1 75 75 VAL CA C 75 61.900 61.900 61.782 0.118 25156 5567 1 8 . 1 1 75 75 VAL CB C 75 32.600 32.600 33.367 -0.767 25156 5568 1 8 . 1 1 75 75 VAL H H 75 7.997 7.997 9.012 -1.015 25156 5569 1 8 . 1 1 76 76 SER N N 76 117.059 117.059 119.596 -2.537 25156 5570 1 8 . 1 1 76 76 SER HA H 76 4.280 4.280 4.496 -0.216 25156 5571 1 8 . 1 1 76 76 SER CA C 76 58.600 58.600 58.106 0.494 25156 5572 1 8 . 1 1 76 76 SER CB C 76 63.400 63.400 63.213 0.187 25156 5573 1 8 . 1 1 76 76 SER H H 76 8.183 8.183 8.527 -0.344 25156 5574 1 8 . 1 1 77 77 GLU N N 77 121.924 121.924 121.647 0.277 25156 5575 1 8 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.174 0.146 25156 5576 1 8 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.224 -1.323 25156 5577 1 8 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.758 -0.058 25156 5578 1 8 . 1 1 77 77 GLU H H 77 8.302 8.302 8.697 -0.395 25156 5579 1 8 . 1 1 78 78 ASN N N 78 120.401 120.401 119.002 1.399 25156 5580 1 8 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.727 0.033 25156 5581 1 8 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.301 -0.401 25156 5582 1 8 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.410 0.690 25156 5583 1 8 . 1 1 78 78 ASN H H 78 8.308 8.308 8.114 0.194 25156 5584 1 8 . 1 1 79 79 SER CA C 79 58.300 58.300 61.165 -2.865 25156 5585 1 8 . 1 1 79 79 SER CB C 79 62.300 62.300 63.293 -0.993 25156 5586 1 8 . 1 1 80 80 PHE N N 80 121.812 121.812 123.121 -1.309 25156 5587 1 8 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.315 -0.095 25156 5588 1 8 . 1 1 80 80 PHE CA C 80 61.200 61.200 60.716 0.484 25156 5589 1 8 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.892 -0.692 25156 5590 1 8 . 1 1 80 80 PHE H H 80 8.280 8.280 8.433 -0.153 25156 5591 1 8 . 1 1 81 81 ILE N N 81 119.199 119.199 118.876 0.323 25156 5592 1 8 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.898 0.332 25156 5593 1 8 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.456 0.144 25156 5594 1 8 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.306 0.394 25156 5595 1 8 . 1 1 81 81 ILE H H 81 7.483 7.483 7.361 0.122 25156 5596 1 8 . 1 1 82 82 LEU N N 82 117.108 117.108 119.651 -2.543 25156 5597 1 8 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.871 0.249 25156 5598 1 8 . 1 1 82 82 LEU CA C 82 57.600 57.600 58.298 -0.698 25156 5599 1 8 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.235 1.465 25156 5600 1 8 . 1 1 82 82 LEU H H 82 7.464 7.464 7.801 -0.337 25156 5601 1 8 . 1 1 83 83 GLU N N 83 117.300 117.300 119.150 -1.850 25156 5602 1 8 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.916 -0.246 25156 5603 1 8 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.483 -0.583 25156 5604 1 8 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.763 -0.663 25156 5605 1 8 . 1 1 83 83 GLU H H 83 8.093 8.093 8.590 -0.497 25156 5606 1 8 . 1 1 84 84 ALA N N 84 122.149 122.149 121.608 0.541 25156 5607 1 8 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.083 -0.233 25156 5608 1 8 . 1 1 84 84 ALA CA C 84 55.000 55.000 54.995 0.005 25156 5609 1 8 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.079 0.321 25156 5610 1 8 . 1 1 84 84 ALA H H 84 8.431 8.431 7.538 0.893 25156 5611 1 8 . 1 1 85 85 LYS N N 85 116.458 116.458 117.800 -1.342 25156 5612 1 8 . 1 1 85 85 LYS HA H 85 3.960 3.960 4.071 -0.111 25156 5613 1 8 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.181 1.519 25156 5614 1 8 . 1 1 85 85 LYS CB C 85 31.800 31.800 31.715 0.085 25156 5615 1 8 . 1 1 85 85 LYS H H 85 8.122 8.122 7.386 0.736 25156 5616 1 8 . 1 1 86 86 VAL N N 86 122.206 122.206 118.832 3.374 25156 5617 1 8 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.737 -0.397 25156 5618 1 8 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.330 1.270 25156 5619 1 8 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.041 0.359 25156 5620 1 8 . 1 1 86 86 VAL H H 86 8.116 8.116 7.629 0.487 25156 5621 1 8 . 1 1 87 87 ARG N N 87 122.354 122.354 118.950 3.404 25156 5622 1 8 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.072 -0.042 25156 5623 1 8 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.262 1.138 25156 5624 1 8 . 1 1 87 87 ARG CB C 87 30.800 30.800 28.841 1.959 25156 5625 1 8 . 1 1 87 87 ARG H H 87 8.768 8.768 7.387 1.381 25156 5626 1 8 . 1 1 88 88 ALA N N 88 119.659 119.659 120.985 -1.326 25156 5627 1 8 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.446 -0.546 25156 5628 1 8 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.694 0.106 25156 5629 1 8 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.470 -0.270 25156 5630 1 8 . 1 1 88 88 ALA H H 88 8.789 8.789 7.828 0.961 25156 5631 1 8 . 1 1 89 89 THR N N 89 105.646 105.646 114.504 -8.858 25156 5632 1 8 . 1 1 89 89 THR HA H 89 4.310 4.310 4.101 0.209 25156 5633 1 8 . 1 1 89 89 THR CA C 89 65.600 65.600 66.780 -1.180 25156 5634 1 8 . 1 1 89 89 THR CB C 89 67.900 67.900 68.455 -0.555 25156 5635 1 8 . 1 1 89 89 THR H H 89 8.063 8.063 8.454 -0.391 25156 5636 1 8 . 1 1 90 90 THR N N 90 120.262 120.262 119.385 0.877 25156 5637 1 8 . 1 1 90 90 THR HA H 90 4.370 4.370 4.100 0.270 25156 5638 1 8 . 1 1 90 90 THR CA C 90 67.000 67.000 67.282 -0.282 25156 5639 1 8 . 1 1 90 90 THR CB C 90 68.200 68.200 68.465 -0.265 25156 5640 1 8 . 1 1 90 90 THR H H 90 8.021 8.021 8.062 -0.041 25156 5641 1 8 . 1 1 91 91 VAL N N 91 119.100 119.100 118.728 0.372 25156 5642 1 8 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.815 0.205 25156 5643 1 8 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.668 -0.368 25156 5644 1 8 . 1 1 91 91 VAL CB C 91 30.900 30.900 30.415 0.485 25156 5645 1 8 . 1 1 91 91 VAL H H 91 7.653 7.653 7.327 0.326 25156 5646 1 8 . 1 1 92 92 ALA N N 92 124.800 124.800 122.307 2.493 25156 5647 1 8 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.021 0.279 25156 5648 1 8 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.332 -0.732 25156 5649 1 8 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.035 1.465 25156 5650 1 8 . 1 1 92 92 ALA H H 92 8.189 8.189 7.681 0.508 25156 5651 1 8 . 1 1 93 93 GLU N N 93 120.300 120.300 118.676 1.624 25156 5652 1 8 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.985 -0.205 25156 5653 1 8 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.638 0.562 25156 5654 1 8 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.612 -0.912 25156 5655 1 8 . 1 1 93 93 GLU H H 93 8.710 8.710 8.533 0.177 25156 5656 1 8 . 1 1 94 94 LYS N N 94 119.247 119.247 119.396 -0.149 25156 5657 1 8 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.015 0.085 25156 5658 1 8 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.327 0.173 25156 5659 1 8 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.349 -0.849 25156 5660 1 8 . 1 1 94 94 LYS H H 94 7.575 7.575 7.486 0.089 25156 5661 1 8 . 1 1 95 95 PHE N N 95 121.711 121.711 121.374 0.337 25156 5662 1 8 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.168 0.442 25156 5663 1 8 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.498 -1.798 25156 5664 1 8 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.106 -0.106 25156 5665 1 8 . 1 1 95 95 PHE H H 95 7.467 7.467 8.316 -0.849 25156 5666 1 8 . 1 1 96 96 VAL N N 96 119.674 119.674 117.789 1.885 25156 5667 1 8 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.546 -0.416 25156 5668 1 8 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.366 0.534 25156 5669 1 8 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.331 -0.331 25156 5670 1 8 . 1 1 96 96 VAL H H 96 8.186 8.186 7.862 0.324 25156 5671 1 8 . 1 1 97 97 THR N N 97 117.086 117.086 115.745 1.341 25156 5672 1 8 . 1 1 97 97 THR HA H 97 4.300 4.300 3.960 0.340 25156 5673 1 8 . 1 1 97 97 THR CA C 97 65.600 65.600 66.564 -0.964 25156 5674 1 8 . 1 1 97 97 THR CB C 97 68.300 68.300 68.635 -0.335 25156 5675 1 8 . 1 1 97 97 THR H H 97 8.470 8.470 8.117 0.353 25156 5676 1 8 . 1 1 98 98 ALA N N 98 126.429 126.429 123.651 2.778 25156 5677 1 8 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.094 0.076 25156 5678 1 8 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.690 0.410 25156 5679 1 8 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.893 -1.193 25156 5680 1 8 . 1 1 98 98 ALA H H 98 7.842 7.842 8.378 -0.536 25156 5681 1 8 . 1 1 99 99 ILE N N 99 121.241 121.241 118.519 2.722 25156 5682 1 8 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.531 -0.051 25156 5683 1 8 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.035 -1.035 25156 5684 1 8 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.863 -2.663 25156 5685 1 8 . 1 1 99 99 ILE H H 99 7.937 7.937 7.315 0.622 25156 5686 1 8 . 1 1 100 100 GLU N N 100 118.069 118.069 118.815 -0.746 25156 5687 1 8 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.920 -0.200 25156 5688 1 8 . 1 1 100 100 GLU CA C 100 59.000 59.000 59.013 -0.013 25156 5689 1 8 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.178 0.121 25156 5690 1 8 . 1 1 100 100 GLU H H 100 8.458 8.458 8.084 0.374 25156 5691 1 8 . 1 1 101 101 GLY N N 101 107.210 107.210 105.865 1.345 25156 5692 1 8 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.347 1.553 25156 5693 1 8 . 1 1 101 101 GLY H H 101 8.411 8.411 7.456 0.955 25156 5694 1 8 . 1 1 102 102 GLU N N 102 121.134 121.134 121.973 -0.839 25156 5695 1 8 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.095 0.085 25156 5696 1 8 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.087 -0.287 25156 5697 1 8 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.468 -0.768 25156 5698 1 8 . 1 1 102 102 GLU H H 102 8.344 8.344 8.378 -0.034 25156 5699 1 8 . 1 1 103 103 ALA N N 103 121.862 121.862 120.598 1.264 25156 5700 1 8 . 1 1 103 103 ALA HA H 103 4.050 4.050 4.031 0.019 25156 5701 1 8 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.558 1.442 25156 5702 1 8 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.870 -2.370 25156 5703 1 8 . 1 1 103 103 ALA H H 103 9.325 9.325 7.551 1.774 25156 5704 1 8 . 1 1 104 104 THR N N 104 110.782 110.782 111.708 -0.926 25156 5705 1 8 . 1 1 104 104 THR HA H 104 4.330 4.330 3.822 0.508 25156 5706 1 8 . 1 1 104 104 THR CA C 104 67.000 67.000 64.705 2.295 25156 5707 1 8 . 1 1 104 104 THR CB C 104 68.100 68.100 67.700 0.400 25156 5708 1 8 . 1 1 104 104 THR H H 104 7.796 7.796 7.816 -0.020 25156 5709 1 8 . 1 1 105 105 LYS N N 105 123.041 123.041 119.786 3.255 25156 5710 1 8 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.466 -0.416 25156 5711 1 8 . 1 1 105 105 LYS CA C 105 59.200 59.200 55.998 3.202 25156 5712 1 8 . 1 1 105 105 LYS CB C 105 32.200 32.200 34.307 -2.107 25156 5713 1 8 . 1 1 105 105 LYS H H 105 7.728 7.728 8.443 -0.715 25156 5714 1 8 . 1 1 106 106 LEU N N 106 117.015 117.015 119.360 -2.345 25156 5715 1 8 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.876 -0.366 25156 5716 1 8 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.409 -1.209 25156 5717 1 8 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.234 -0.934 25156 5718 1 8 . 1 1 106 106 LEU H H 106 7.768 7.768 8.006 -0.238 25156 5719 1 8 . 1 1 107 107 LYS N N 107 122.173 122.173 120.814 1.359 25156 5720 1 8 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.979 -0.059 25156 5721 1 8 . 1 1 107 107 LYS CA C 107 60.900 60.900 60.165 0.735 25156 5722 1 8 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.190 0.311 25156 5723 1 8 . 1 1 107 107 LYS H H 107 7.452 7.452 8.272 -0.820 25156 5724 1 8 . 1 1 108 108 LYS N N 108 114.243 114.243 116.889 -2.646 25156 5725 1 8 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.263 0.337 25156 5726 1 8 . 1 1 108 108 LYS CA C 108 56.800 56.800 58.146 -1.346 25156 5727 1 8 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.677 0.123 25156 5728 1 8 . 1 1 108 108 LYS H H 108 8.735 8.735 7.892 0.843 25156 5729 1 8 . 1 1 109 109 THR N N 109 106.918 106.918 107.793 -0.875 25156 5730 1 8 . 1 1 109 109 THR HA H 109 4.410 4.410 4.296 0.114 25156 5731 1 8 . 1 1 109 109 THR CA C 109 61.500 61.500 63.184 -1.684 25156 5732 1 8 . 1 1 109 109 THR CB C 109 69.700 69.700 69.573 0.127 25156 5733 1 8 . 1 1 109 109 THR H H 109 7.530 7.530 7.927 -0.397 25156 5734 1 8 . 1 1 110 110 GLY N N 110 111.753 111.753 111.824 -0.071 25156 5735 1 8 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.595 -1.395 25156 5736 1 8 . 1 1 110 110 GLY H H 110 9.066 9.066 8.265 0.801 25156 5737 1 8 . 1 1 111 111 SER N N 111 118.638 118.638 116.742 1.896 25156 5738 1 8 . 1 1 111 111 SER HA H 111 4.930 4.930 4.521 0.409 25156 5739 1 8 . 1 1 111 111 SER CA C 111 56.600 56.600 56.121 0.479 25156 5740 1 8 . 1 1 111 111 SER CB C 111 66.400 66.400 64.391 2.010 25156 5741 1 8 . 1 1 111 111 SER H H 111 8.709 8.709 8.032 0.677 25156 5742 1 8 . 1 1 112 112 SER N N 112 116.928 116.928 119.863 -2.935 25156 5743 1 8 . 1 1 112 112 SER CA C 112 61.200 61.200 60.734 0.466 25156 5744 1 8 . 1 1 112 112 SER CB C 112 62.500 62.500 62.955 -0.455 25156 5745 1 8 . 1 1 112 112 SER H H 112 9.082 9.082 8.741 0.341 25156 5746 1 8 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.331 -0.031 25156 5747 1 8 . 1 1 114 114 GLU N N 114 122.746 122.746 122.860 -0.114 25156 5748 1 8 . 1 1 114 114 GLU HA H 114 3.750 3.750 3.858 -0.108 25156 5749 1 8 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.449 -0.449 25156 5750 1 8 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.165 -0.265 25156 5751 1 8 . 1 1 114 114 GLU H H 114 7.628 7.628 7.799 -0.171 25156 5752 1 8 . 1 1 115 115 PHE N N 115 118.328 118.328 115.368 2.960 25156 5753 1 8 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.377 0.043 25156 5754 1 8 . 1 1 115 115 PHE CA C 115 61.500 61.500 59.924 1.576 25156 5755 1 8 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.855 -0.955 25156 5756 1 8 . 1 1 115 115 PHE H H 115 7.102 7.102 7.191 -0.089 25156 5757 1 8 . 1 1 116 116 SER N N 116 115.349 115.349 117.231 -1.882 25156 5758 1 8 . 1 1 116 116 SER HA H 116 4.510 4.510 4.375 0.136 25156 5759 1 8 . 1 1 116 116 SER CA C 116 61.700 61.700 61.436 0.264 25156 5760 1 8 . 1 1 116 116 SER CB C 116 62.800 62.800 62.780 0.020 25156 5761 1 8 . 1 1 116 116 SER H H 116 8.940 8.940 6.924 2.016 25156 5762 1 8 . 1 1 117 117 ALA N N 117 122.730 122.730 124.476 -1.746 25156 5763 1 8 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.336 -0.066 25156 5764 1 8 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.623 0.177 25156 5765 1 8 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.287 -0.887 25156 5766 1 8 . 1 1 117 117 ALA H H 117 7.501 7.501 8.131 -0.630 25156 5767 1 8 . 1 1 118 118 MET N N 118 118.754 118.754 118.142 0.612 25156 5768 1 8 . 1 1 118 118 MET HA H 118 3.950 3.950 4.123 -0.173 25156 5769 1 8 . 1 1 118 118 MET CA C 118 60.300 60.300 59.925 0.375 25156 5770 1 8 . 1 1 118 118 MET CB C 118 31.500 31.500 32.439 -0.939 25156 5771 1 8 . 1 1 118 118 MET H H 118 7.812 7.812 7.715 0.097 25156 5772 1 8 . 1 1 119 119 TYR N N 119 119.385 119.385 119.547 -0.162 25156 5773 1 8 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.214 0.136 25156 5774 1 8 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.903 -0.603 25156 5775 1 8 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.361 -1.161 25156 5776 1 8 . 1 1 119 119 TYR H H 119 8.213 8.213 7.868 0.345 25156 5777 1 8 . 1 1 120 120 ASN N N 120 116.665 116.665 117.754 -1.089 25156 5778 1 8 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.383 -0.233 25156 5779 1 8 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.773 0.427 25156 5780 1 8 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.063 -0.563 25156 5781 1 8 . 1 1 120 120 ASN H H 120 8.592 8.592 7.670 0.922 25156 5782 1 8 . 1 1 121 121 MET N N 121 118.788 118.788 119.156 -0.368 25156 5783 1 8 . 1 1 121 121 MET HA H 121 4.250 4.250 4.117 0.133 25156 5784 1 8 . 1 1 121 121 MET CA C 121 59.500 59.500 58.327 1.173 25156 5785 1 8 . 1 1 121 121 MET CB C 121 33.800 33.800 32.082 1.718 25156 5786 1 8 . 1 1 121 121 MET H H 121 7.900 7.900 8.188 -0.288 25156 5787 1 8 . 1 1 122 122 MET N N 122 118.670 118.670 117.879 0.791 25156 5788 1 8 . 1 1 122 122 MET HA H 122 3.950 3.950 3.969 -0.019 25156 5789 1 8 . 1 1 122 122 MET CA C 122 60.300 60.300 58.475 1.825 25156 5790 1 8 . 1 1 122 122 MET CB C 122 33.400 33.400 31.844 1.556 25156 5791 1 8 . 1 1 122 122 MET H H 122 7.813 7.813 7.785 0.028 25156 5792 1 8 . 1 1 123 123 LEU N N 123 118.865 118.865 118.935 -0.070 25156 5793 1 8 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.980 -0.070 25156 5794 1 8 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.935 -0.435 25156 5795 1 8 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.568 -0.068 25156 5796 1 8 . 1 1 123 123 LEU H H 123 7.941 7.941 7.489 0.452 25156 5797 1 8 . 1 1 124 124 GLU N N 124 121.088 121.088 119.027 2.061 25156 5798 1 8 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.031 -0.081 25156 5799 1 8 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.098 0.202 25156 5800 1 8 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.809 -0.809 25156 5801 1 8 . 1 1 124 124 GLU H H 124 8.398 8.398 7.776 0.622 25156 5802 1 8 . 1 1 125 125 VAL N N 125 112.092 112.092 118.421 -6.329 25156 5803 1 8 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.646 0.354 25156 5804 1 8 . 1 1 125 125 VAL CA C 125 63.100 63.100 64.821 -1.721 25156 5805 1 8 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.304 0.896 25156 5806 1 8 . 1 1 125 125 VAL H H 125 7.682 7.682 8.626 -0.944 25156 5807 1 8 . 1 1 126 126 SER N N 126 116.396 116.396 116.542 -0.146 25156 5808 1 8 . 1 1 126 126 SER CA C 126 63.300 63.300 61.411 1.889 25156 5809 1 8 . 1 1 126 126 SER CB C 126 62.800 62.800 62.211 0.589 25156 5810 1 8 . 1 1 126 126 SER H H 126 7.410 7.410 7.394 0.016 25156 5811 1 8 . 1 1 127 127 GLY N N 127 107.199 107.199 110.263 -3.064 25156 5812 1 8 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.062 1.038 25156 5813 1 8 . 1 1 127 127 GLY H H 127 7.321 7.321 8.129 -0.808 25156 5814 1 8 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.109 0.201 25156 5815 1 8 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.704 -0.904 25156 5816 1 8 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.358 0.642 25156 5817 1 8 . 1 1 129 129 LEU N N 129 113.172 113.172 115.656 -2.484 25156 5818 1 8 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.943 -0.043 25156 5819 1 8 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.432 -0.032 25156 5820 1 8 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.524 -0.524 25156 5821 1 8 . 1 1 129 129 LEU H H 129 6.913 6.913 7.812 -0.899 25156 5822 1 8 . 1 1 130 130 GLU N N 130 121.331 121.331 119.047 2.284 25156 5823 1 8 . 1 1 130 130 GLU HA H 130 4.120 4.120 3.982 0.138 25156 5824 1 8 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.301 -0.001 25156 5825 1 8 . 1 1 130 130 GLU CB C 130 28.500 28.500 28.973 -0.473 25156 5826 1 8 . 1 1 130 130 GLU H H 130 8.203 8.203 8.200 0.003 25156 5827 1 8 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.132 -0.162 25156 5828 1 8 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.642 -0.142 25156 5829 1 8 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.694 -0.494 25156 5830 1 8 . 1 1 132 132 LEU N N 132 115.804 115.804 118.605 -2.801 25156 5831 1 8 . 1 1 132 132 LEU HA H 132 3.910 3.910 3.774 0.136 25156 5832 1 8 . 1 1 132 132 LEU CA C 132 53.100 53.100 53.643 -0.543 25156 5833 1 8 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.273 -1.073 25156 5834 1 8 . 1 1 132 132 LEU H H 132 6.977 6.977 7.557 -0.580 25156 5835 1 8 . 1 1 133 133 GLY N N 133 105.653 105.653 107.179 -1.526 25156 5836 1 8 . 1 1 133 133 GLY CA C 133 45.100 45.100 45.166 -0.066 25156 5837 1 8 . 1 1 133 133 GLY H H 133 7.484 7.484 7.415 0.069 25156 5838 1 8 . 1 1 134 134 VAL CA C 134 62.900 62.900 61.409 1.491 25156 5839 1 8 . 1 1 134 134 VAL CB C 134 31.800 31.800 34.514 -2.714 25156 5840 1 8 . 1 1 137 137 MET CA C 137 58.100 58.100 56.054 2.046 25156 5841 1 8 . 1 1 138 138 THR N N 138 115.359 115.359 112.825 2.534 25156 5842 1 8 . 1 1 138 138 THR CA C 138 67.100 67.100 66.228 0.872 25156 5843 1 8 . 1 1 138 138 THR H H 138 9.225 9.225 8.041 1.184 25156 5844 1 8 . 1 1 139 139 LYS N N 139 123.109 123.109 121.551 1.558 25156 5845 1 8 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.022 0.178 25156 5846 1 8 . 1 1 139 139 LYS CA C 139 57.900 57.900 60.199 -2.299 25156 5847 1 8 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.248 -0.648 25156 5848 1 8 . 1 1 139 139 LYS H H 139 8.172 8.172 7.546 0.626 25156 5849 1 8 . 1 1 140 140 THR N N 140 115.472 115.472 115.372 0.100 25156 5850 1 8 . 1 1 140 140 THR HA H 140 4.000 4.000 4.072 -0.072 25156 5851 1 8 . 1 1 140 140 THR CA C 140 67.000 67.000 66.251 0.749 25156 5852 1 8 . 1 1 140 140 THR CB C 140 68.200 68.200 68.322 -0.122 25156 5853 1 8 . 1 1 140 140 THR H H 140 8.063 8.063 7.964 0.099 25156 5854 1 8 . 1 1 141 141 VAL N N 141 121.319 121.319 121.270 0.049 25156 5855 1 8 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.689 -0.059 25156 5856 1 8 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.407 0.793 25156 5857 1 8 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.523 -0.023 25156 5858 1 8 . 1 1 141 141 VAL H H 141 7.753 7.753 7.844 -0.091 25156 5859 1 8 . 1 1 142 142 THR N N 142 114.753 114.753 117.410 -2.657 25156 5860 1 8 . 1 1 142 142 THR HA H 142 4.380 4.380 4.283 0.097 25156 5861 1 8 . 1 1 142 142 THR CA C 142 65.900 65.900 66.383 -0.483 25156 5862 1 8 . 1 1 142 142 THR CB C 142 67.800 67.800 68.304 -0.504 25156 5863 1 8 . 1 1 142 142 THR H H 142 8.965 8.965 8.353 0.612 25156 5864 1 8 . 1 1 143 143 ASP N N 143 123.699 123.699 121.795 1.904 25156 5865 1 8 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.479 -0.069 25156 5866 1 8 . 1 1 143 143 ASP CA C 143 56.800 56.800 56.872 -0.072 25156 5867 1 8 . 1 1 143 143 ASP CB C 143 39.000 39.000 39.751 -0.751 25156 5868 1 8 . 1 1 143 143 ASP H H 143 9.254 9.254 8.300 0.954 25156 5869 1 8 . 1 1 144 144 ALA N N 144 122.856 122.856 122.457 0.399 25156 5870 1 8 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.135 0.205 25156 5871 1 8 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.653 0.047 25156 5872 1 8 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.541 0.659 25156 5873 1 8 . 1 1 144 144 ALA H H 144 7.668 7.668 7.770 -0.102 25156 5874 1 8 . 1 1 145 145 ALA N N 145 119.307 119.307 119.394 -0.087 25156 5875 1 8 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.361 0.179 25156 5876 1 8 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.291 -1.591 25156 5877 1 8 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.479 -0.279 25156 5878 1 8 . 1 1 145 145 ALA H H 145 7.718 7.718 7.755 -0.037 25156 5879 1 8 . 1 1 146 146 GLU N N 146 115.837 115.837 117.979 -2.142 25156 5880 1 8 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.010 0.180 25156 5881 1 8 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.568 -1.268 25156 5882 1 8 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.535 -0.435 25156 5883 1 8 . 1 1 146 146 GLU H H 146 7.491 7.491 7.760 -0.269 25156 5884 1 8 . 1 1 147 147 GLN N N 147 115.066 115.066 117.604 -2.538 25156 5885 1 8 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.167 0.033 25156 5886 1 8 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.697 -1.397 25156 5887 1 8 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.794 0.306 25156 5888 1 8 . 1 1 147 147 GLN H H 147 7.248 7.248 7.827 -0.579 25156 5889 1 8 . 1 1 148 148 HIS N N 148 119.398 119.398 119.073 0.325 25156 5890 1 8 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.734 0.266 25156 5891 1 8 . 1 1 148 148 HIS CA C 148 52.500 52.500 53.915 -1.415 25156 5892 1 8 . 1 1 148 148 HIS CB C 148 31.600 31.600 28.948 2.652 25156 5893 1 8 . 1 1 148 148 HIS H H 148 7.747 7.747 7.506 0.240 25156 5894 1 8 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.344 0.126 25156 5895 1 8 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.371 -1.071 25156 5896 1 8 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.392 -0.093 25156 5897 1 8 . 1 1 150 150 THR N N 150 108.042 108.042 116.547 -8.505 25156 5898 1 8 . 1 1 150 150 THR HA H 150 4.040 4.040 4.223 -0.183 25156 5899 1 8 . 1 1 150 150 THR CA C 150 60.700 60.700 61.415 -0.715 25156 5900 1 8 . 1 1 150 150 THR CB C 150 68.400 68.400 66.964 1.436 25156 5901 1 8 . 1 1 150 150 THR H H 150 7.864 7.864 8.197 -0.333 25156 5902 1 8 . 1 1 151 151 THR N N 151 134.400 134.400 113.879 20.521 25156 5903 1 8 . 1 1 151 151 THR HA H 151 4.550 4.550 3.689 0.861 25156 5904 1 8 . 1 1 151 151 THR CA C 151 60.400 60.400 62.194 -1.794 25156 5905 1 8 . 1 1 151 151 THR CB C 151 68.900 68.900 68.627 0.273 25156 5906 1 8 . 1 1 151 151 THR H H 151 6.900 6.900 7.898 -0.998 25156 5907 1 8 . 1 1 152 152 THR N N 152 108.396 108.396 113.536 -5.140 25156 5908 1 8 . 1 1 152 152 THR HA H 152 4.290 4.290 4.538 -0.248 25156 5909 1 8 . 1 1 152 152 THR CA C 152 57.700 57.700 60.167 -2.467 25156 5910 1 8 . 1 1 152 152 THR CB C 152 71.500 71.500 70.583 0.917 25156 5911 1 8 . 1 1 152 152 THR H H 152 7.104 7.104 7.554 -0.450 25156 5912 1 8 . 1 1 153 153 ALA N N 153 122.816 122.816 124.558 -1.742 25156 5913 1 8 . 1 1 153 153 ALA HA H 153 3.030 3.030 3.519 -0.489 25156 5914 1 8 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.614 -0.914 25156 5915 1 8 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.291 0.509 25156 5916 1 8 . 1 1 153 153 ALA H H 153 7.580 7.580 8.334 -0.754 25156 5917 1 8 . 1 1 154 154 GLU N N 154 113.788 113.788 118.342 -4.554 25156 5918 1 8 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.189 -0.449 25156 5919 1 8 . 1 1 154 154 GLU CA C 154 59.800 59.800 57.507 2.293 25156 5920 1 8 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.300 -1.000 25156 5921 1 8 . 1 1 154 154 GLU H H 154 8.544 8.544 8.685 -0.141 25156 5922 1 8 . 1 1 155 155 GLY N N 155 108.136 108.136 109.018 -0.882 25156 5923 1 8 . 1 1 155 155 GLY CA C 155 46.900 46.900 46.773 0.127 25156 5924 1 8 . 1 1 155 155 GLY H H 155 7.973 7.973 8.150 -0.177 25156 5925 1 8 . 1 1 156 156 ILE N N 156 119.992 119.992 122.910 -2.918 25156 5926 1 8 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.700 -0.000 25156 5927 1 8 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.314 -3.914 25156 5928 1 8 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.274 -2.574 25156 5929 1 8 . 1 1 156 156 ILE H H 156 7.688 7.688 8.744 -1.056 25156 5930 1 8 . 1 1 157 157 LEU N N 157 118.638 118.638 119.519 -0.881 25156 5931 1 8 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.885 0.005 25156 5932 1 8 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.294 -0.194 25156 5933 1 8 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.200 -0.500 25156 5934 1 8 . 1 1 157 157 LEU H H 157 8.535 8.535 7.837 0.698 25156 5935 1 8 . 1 1 158 158 GLU N N 158 119.400 119.400 118.712 0.688 25156 5936 1 8 . 1 1 158 158 GLU HA H 158 3.960 3.960 3.989 -0.029 25156 5937 1 8 . 1 1 158 158 GLU CA C 158 58.200 58.200 59.032 -0.832 25156 5938 1 8 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.522 -2.422 25156 5939 1 8 . 1 1 158 158 GLU H H 158 7.606 7.606 7.619 -0.013 25156 5940 1 8 . 1 1 159 159 ILE N N 159 122.226 122.226 119.975 2.251 25156 5941 1 8 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.667 -0.197 25156 5942 1 8 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.371 1.629 25156 5943 1 8 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.437 1.063 25156 5944 1 8 . 1 1 159 159 ILE H H 159 8.285 8.285 8.613 -0.328 25156 5945 1 8 . 1 1 160 160 ALA N N 160 121.722 121.722 122.753 -1.031 25156 5946 1 8 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.881 0.019 25156 5947 1 8 . 1 1 160 160 ALA CA C 160 55.000 55.000 55.080 -0.080 25156 5948 1 8 . 1 1 160 160 ALA CB C 160 17.900 17.900 18.022 -0.122 25156 5949 1 8 . 1 1 160 160 ALA H H 160 9.171 9.171 8.461 0.710 25156 5950 1 8 . 1 1 161 161 LYS N N 161 117.720 117.720 118.340 -0.620 25156 5951 1 8 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.975 -0.105 25156 5952 1 8 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.591 -0.091 25156 5953 1 8 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.295 -0.695 25156 5954 1 8 . 1 1 161 161 LYS H H 161 7.661 7.661 7.421 0.240 25156 5955 1 8 . 1 1 162 162 ILE N N 162 122.241 122.241 119.770 2.471 25156 5956 1 8 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.758 -0.048 25156 5957 1 8 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.715 0.385 25156 5958 1 8 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.088 0.012 25156 5959 1 8 . 1 1 162 162 ILE H H 162 7.587 7.587 7.542 0.045 25156 5960 1 8 . 1 1 163 163 MET N N 163 120.758 120.758 117.979 2.779 25156 5961 1 8 . 1 1 163 163 MET HA H 163 3.790 3.790 4.055 -0.265 25156 5962 1 8 . 1 1 163 163 MET CA C 163 60.200 60.200 59.087 1.113 25156 5963 1 8 . 1 1 163 163 MET CB C 163 32.200 32.200 32.463 -0.263 25156 5964 1 8 . 1 1 163 163 MET H H 163 8.581 8.581 7.646 0.935 25156 5965 1 8 . 1 1 164 164 LYS N N 164 118.723 118.723 119.127 -0.404 25156 5966 1 8 . 1 1 164 164 LYS HA H 164 3.750 3.750 4.029 -0.279 25156 5967 1 8 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.530 0.770 25156 5968 1 8 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.407 -0.607 25156 5969 1 8 . 1 1 164 164 LYS H H 164 9.221 9.221 8.672 0.549 25156 5970 1 8 . 1 1 165 165 THR N N 165 115.639 115.639 115.531 0.108 25156 5971 1 8 . 1 1 165 165 THR HA H 165 4.270 4.270 3.993 0.277 25156 5972 1 8 . 1 1 165 165 THR CA C 165 66.400 66.400 66.790 -0.390 25156 5973 1 8 . 1 1 165 165 THR CB C 165 68.200 68.200 68.585 -0.385 25156 5974 1 8 . 1 1 165 165 THR H H 165 8.336 8.336 7.802 0.534 25156 5975 1 8 . 1 1 166 166 LYS N N 166 121.525 121.525 121.936 -0.411 25156 5976 1 8 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.194 -0.024 25156 5977 1 8 . 1 1 166 166 LYS CA C 166 58.800 58.800 58.761 0.039 25156 5978 1 8 . 1 1 166 166 LYS CB C 166 30.600 30.600 31.790 -1.190 25156 5979 1 8 . 1 1 166 166 LYS H H 166 7.357 7.357 7.473 -0.116 25156 5980 1 8 . 1 1 167 167 LEU N N 167 117.600 117.600 120.788 -3.188 25156 5981 1 8 . 1 1 167 167 LEU HA H 167 3.890 3.890 3.978 -0.088 25156 5982 1 8 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.541 -0.441 25156 5983 1 8 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.660 0.340 25156 5984 1 8 . 1 1 167 167 LEU H H 167 8.090 8.090 7.661 0.429 25156 5985 1 8 . 1 1 168 168 GLN N N 168 117.484 117.484 116.848 0.636 25156 5986 1 8 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.177 -0.067 25156 5987 1 8 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.272 0.028 25156 5988 1 8 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.420 -0.820 25156 5989 1 8 . 1 1 168 168 GLN H H 168 8.793 8.793 7.936 0.857 25156 5990 1 8 . 1 1 169 169 ARG N N 169 121.344 121.344 121.173 0.171 25156 5991 1 8 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.017 0.213 25156 5992 1 8 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.984 -0.584 25156 5993 1 8 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.111 -1.011 25156 5994 1 8 . 1 1 169 169 ARG H H 169 8.051 8.051 7.497 0.554 25156 5995 1 8 . 1 1 170 170 VAL N N 170 120.397 120.397 118.855 1.542 25156 5996 1 8 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.702 0.058 25156 5997 1 8 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.251 0.049 25156 5998 1 8 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.892 -0.292 25156 5999 1 8 . 1 1 170 170 VAL H H 170 7.911 7.911 8.282 -0.371 25156 6000 1 8 . 1 1 171 171 HIS N N 171 122.970 122.970 119.188 3.782 25156 6001 1 8 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.315 -0.305 25156 6002 1 8 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.227 0.073 25156 6003 1 8 . 1 1 171 171 HIS CB C 171 29.600 29.600 29.898 -0.298 25156 6004 1 8 . 1 1 171 171 HIS H H 171 9.281 9.281 7.714 1.567 25156 6005 1 8 . 1 1 172 172 THR N N 172 115.729 115.729 115.729 0.000 25156 6006 1 8 . 1 1 172 172 THR HA H 172 4.360 4.360 4.091 0.269 25156 6007 1 8 . 1 1 172 172 THR CA C 172 67.100 67.100 66.847 0.253 25156 6008 1 8 . 1 1 172 172 THR CB C 172 68.600 68.600 68.558 0.042 25156 6009 1 8 . 1 1 172 172 THR H H 172 8.977 8.977 8.494 0.483 25156 6010 1 8 . 1 1 173 173 LYS N N 173 119.978 119.978 122.071 -2.093 25156 6011 1 8 . 1 1 173 173 LYS HA H 173 4.200 4.200 3.904 0.296 25156 6012 1 8 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.831 -0.331 25156 6013 1 8 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.417 -0.317 25156 6014 1 8 . 1 1 173 173 LYS H H 173 7.959 7.959 8.198 -0.239 25156 6015 1 8 . 1 1 174 174 ASN N N 174 116.606 116.606 117.318 -0.712 25156 6016 1 8 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.420 0.030 25156 6017 1 8 . 1 1 174 174 ASN CA C 174 57.500 57.500 56.111 1.389 25156 6018 1 8 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.614 1.386 25156 6019 1 8 . 1 1 174 174 ASN H H 174 7.640 7.640 7.978 -0.338 25156 6020 1 8 . 1 1 175 175 TYR N N 175 122.163 122.163 121.964 0.199 25156 6021 1 8 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.170 -0.140 25156 6022 1 8 . 1 1 175 175 TYR CA C 175 61.100 61.100 60.944 0.156 25156 6023 1 8 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.157 -0.157 25156 6024 1 8 . 1 1 175 175 TYR H H 175 9.079 9.079 8.336 0.743 25156 6025 1 8 . 1 1 176 176 CYS N N 176 116.655 116.655 118.221 -1.566 25156 6026 1 8 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.061 0.679 25156 6027 1 8 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.623 -2.823 25156 6028 1 8 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.585 13.714 25156 6029 1 8 . 1 1 176 176 CYS H H 176 8.799 8.799 8.234 0.565 25156 6030 1 8 . 1 1 177 177 ALA N N 177 120.661 120.661 121.828 -1.167 25156 6031 1 8 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.030 0.050 25156 6032 1 8 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.708 -0.208 25156 6033 1 8 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.541 0.259 25156 6034 1 8 . 1 1 177 177 ALA H H 177 7.337 7.337 7.584 -0.247 25156 6035 1 8 . 1 1 178 178 LEU N N 178 120.820 120.820 119.644 1.176 25156 6036 1 8 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.835 0.015 25156 6037 1 8 . 1 1 178 178 LEU CA C 178 57.500 57.500 58.102 -0.602 25156 6038 1 8 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.603 1.097 25156 6039 1 8 . 1 1 178 178 LEU H H 178 8.075 8.075 7.401 0.674 25156 6040 1 8 . 1 1 179 179 GLU N N 179 117.503 117.503 118.047 -0.544 25156 6041 1 8 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.795 -0.285 25156 6042 1 8 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.897 -0.997 25156 6043 1 8 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.919 -2.519 25156 6044 1 8 . 1 1 179 179 GLU H H 179 8.066 8.066 7.285 0.781 25156 6045 1 8 . 1 1 180 180 LYS N N 180 118.823 118.823 120.640 -1.817 25156 6046 1 8 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.537 -0.267 25156 6047 1 8 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.255 -1.955 25156 6048 1 8 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.201 -0.201 25156 6049 1 8 . 1 1 180 180 LYS H H 180 7.424 7.424 7.517 -0.093 25156 6050 1 8 . 1 1 181 181 LYS N N 181 118.403 118.403 118.716 -0.313 25156 6051 1 8 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.108 -0.118 25156 6052 1 8 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.709 -0.808 25156 6053 1 8 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.214 -0.614 25156 6054 1 8 . 1 1 181 181 LYS H H 181 7.381 7.381 7.672 -0.291 25156 6055 1 8 . 1 1 182 182 LYS N N 182 116.472 116.472 116.563 -0.091 25156 6056 1 8 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.264 -0.234 25156 6057 1 8 . 1 1 182 182 LYS CA C 182 57.900 57.900 56.283 1.617 25156 6058 1 8 . 1 1 182 182 LYS CB C 182 32.700 32.700 33.044 -0.343 25156 6059 1 8 . 1 1 182 182 LYS H H 182 7.374 7.374 7.747 -0.373 25156 6060 1 8 . 1 1 183 183 ASN N N 183 114.082 114.082 116.398 -2.316 25156 6061 1 8 . 1 1 183 183 ASN HA H 183 5.050 5.050 4.982 0.068 25156 6062 1 8 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.521 -1.821 25156 6063 1 8 . 1 1 183 183 ASN CB C 183 39.100 39.100 37.035 2.065 25156 6064 1 8 . 1 1 183 183 ASN H H 183 7.643 7.643 7.903 -0.260 25156 6065 1 8 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.252 0.348 25156 6066 1 8 . 1 1 184 184 PRO CA C 184 64.100 64.100 65.126 -1.026 25156 6067 1 8 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.625 0.275 25156 6068 1 8 . 1 1 185 185 ASN N N 185 114.209 114.209 114.346 -0.137 25156 6069 1 8 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.708 0.112 25156 6070 1 8 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.175 -0.575 25156 6071 1 8 . 1 1 185 185 ASN CB C 185 38.300 38.300 38.282 0.018 25156 6072 1 8 . 1 1 185 185 ASN H H 185 7.866 7.866 8.318 -0.452 25156 6073 1 8 . 1 1 186 186 PHE N N 186 122.429 122.429 121.976 0.453 25156 6074 1 8 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.528 -0.178 25156 6075 1 8 . 1 1 186 186 PHE CA C 186 58.800 58.800 57.617 1.183 25156 6076 1 8 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.668 -0.068 25156 6077 1 8 . 1 1 186 186 PHE H H 186 8.035 8.035 7.824 0.211 25156 6078 1 8 . 1 1 187 187 THR N N 187 120.308 120.308 120.402 -0.094 25156 6079 1 8 . 1 1 187 187 THR HA H 187 4.110 4.110 3.956 0.154 25156 6080 1 8 . 1 1 187 187 THR CA C 187 59.700 59.700 60.198 -0.498 25156 6081 1 8 . 1 1 187 187 THR CB C 187 70.400 70.400 70.418 -0.018 25156 6082 1 8 . 1 1 187 187 THR H H 187 7.687 7.687 8.149 -0.462 25156 6083 1 8 . 1 1 188 188 ASP N N 188 122.010 122.010 125.097 -3.087 25156 6084 1 8 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.577 -0.197 25156 6085 1 8 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.587 0.413 25156 6086 1 8 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.657 2.343 25156 6087 1 8 . 1 1 188 188 ASP H H 188 7.732 7.732 7.938 -0.206 25156 6088 1 8 . 1 1 189 189 GLU N N 189 127.772 127.772 123.369 4.403 25156 6089 1 8 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.052 -0.052 25156 6090 1 8 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.649 0.251 25156 6091 1 8 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.972 -1.072 25156 6092 1 8 . 1 1 189 189 GLU H H 189 9.002 9.002 8.739 0.263 25156 6093 1 8 . 1 1 190 190 LYS N N 190 117.753 117.753 116.808 0.945 25156 6094 1 8 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.167 0.063 25156 6095 1 8 . 1 1 190 190 LYS CA C 190 57.600 57.600 56.629 0.971 25156 6096 1 8 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.236 -0.336 25156 6097 1 8 . 1 1 190 190 LYS H H 190 9.144 9.144 8.157 0.987 25156 6098 1 8 . 1 1 191 191 CYS N N 191 115.894 115.894 118.727 -2.833 25156 6099 1 8 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.465 0.505 25156 6100 1 8 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.517 -5.717 25156 6101 1 8 . 1 1 191 191 CYS CB C 191 38.300 38.300 27.724 10.576 25156 6102 1 8 . 1 1 191 191 CYS H H 191 7.999 7.999 7.344 0.655 25156 6103 1 8 . 1 1 192 192 LYS N N 192 121.894 121.894 126.629 -4.735 25156 6104 1 8 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.343 -0.053 25156 6105 1 8 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.047 0.553 25156 6106 1 8 . 1 1 192 192 LYS CB C 192 32.600 32.600 34.036 -1.436 25156 6107 1 8 . 1 1 192 192 LYS H H 192 7.718 7.718 8.359 -0.641 25156 6108 1 8 . 1 1 193 193 ASN N N 193 118.976 118.976 123.111 -4.135 25156 6109 1 8 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.612 0.178 25156 6110 1 8 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.126 -0.126 25156 6111 1 8 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.792 -0.292 25156 6112 1 8 . 1 1 193 193 ASN H H 193 8.497 8.497 8.533 -0.036 25156 6113 1 9 . 1 1 30 30 LEU N N 30 118.365 118.365 121.326 -2.961 25156 6114 1 9 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.904 -0.544 25156 6115 1 9 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.380 0.020 25156 6116 1 9 . 1 1 30 30 LEU CB C 30 43.200 43.200 44.070 -0.870 25156 6117 1 9 . 1 1 30 30 LEU H H 30 8.544 8.544 8.136 0.408 25156 6118 1 9 . 1 1 31 31 LYS N N 31 119.962 119.962 122.902 -2.940 25156 6119 1 9 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.677 -0.017 25156 6120 1 9 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.233 -0.733 25156 6121 1 9 . 1 1 31 31 LYS CB C 31 35.700 35.700 34.101 1.599 25156 6122 1 9 . 1 1 31 31 LYS H H 31 9.499 9.499 8.505 0.994 25156 6123 1 9 . 1 1 32 32 GLY N N 32 107.471 107.471 109.204 -1.733 25156 6124 1 9 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.510 1.390 25156 6125 1 9 . 1 1 32 32 GLY H H 32 8.548 8.548 7.974 0.574 25156 6126 1 9 . 1 1 33 33 GLU N N 33 124.823 124.823 118.530 6.293 25156 6127 1 9 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.050 -0.040 25156 6128 1 9 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.846 -0.446 25156 6129 1 9 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.594 -0.794 25156 6130 1 9 . 1 1 33 33 GLU H H 33 9.049 9.049 8.798 0.251 25156 6131 1 9 . 1 1 34 34 THR N N 34 116.008 116.008 114.440 1.568 25156 6132 1 9 . 1 1 34 34 THR HA H 34 4.150 4.150 3.990 0.160 25156 6133 1 9 . 1 1 34 34 THR CA C 34 66.200 66.200 65.780 0.420 25156 6134 1 9 . 1 1 34 34 THR CB C 34 68.500 68.500 68.297 0.203 25156 6135 1 9 . 1 1 34 34 THR H H 34 7.772 7.772 8.522 -0.750 25156 6136 1 9 . 1 1 35 35 LYS N N 35 119.081 119.081 120.614 -1.533 25156 6137 1 9 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.205 -0.555 25156 6138 1 9 . 1 1 35 35 LYS CA C 35 59.400 59.400 58.513 0.887 25156 6139 1 9 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.804 -0.504 25156 6140 1 9 . 1 1 35 35 LYS H H 35 6.838 6.838 7.575 -0.737 25156 6141 1 9 . 1 1 36 36 ILE N N 36 116.476 116.476 116.689 -0.213 25156 6142 1 9 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.085 -0.345 25156 6143 1 9 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.985 0.815 25156 6144 1 9 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.982 0.118 25156 6145 1 9 . 1 1 36 36 ILE H H 36 7.020 7.020 7.481 -0.461 25156 6146 1 9 . 1 1 37 37 ILE N N 37 119.272 119.272 122.871 -3.599 25156 6147 1 9 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.617 0.073 25156 6148 1 9 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.273 -0.773 25156 6149 1 9 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.111 1.289 25156 6150 1 9 . 1 1 37 37 ILE H H 37 8.507 8.507 8.870 -0.363 25156 6151 1 9 . 1 1 38 38 LEU N N 38 118.624 118.624 120.136 -1.512 25156 6152 1 9 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.052 0.218 25156 6153 1 9 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.230 -0.630 25156 6154 1 9 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.412 -1.312 25156 6155 1 9 . 1 1 38 38 LEU H H 38 8.363 8.363 7.967 0.396 25156 6156 1 9 . 1 1 39 39 GLU N N 39 118.123 118.123 118.522 -0.399 25156 6157 1 9 . 1 1 39 39 GLU HA H 39 4.000 4.000 3.993 0.007 25156 6158 1 9 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.845 0.055 25156 6159 1 9 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.217 -1.217 25156 6160 1 9 . 1 1 39 39 GLU H H 39 8.663 8.663 7.624 1.039 25156 6161 1 9 . 1 1 40 40 ARG N N 40 120.230 120.230 119.204 1.026 25156 6162 1 9 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.077 0.113 25156 6163 1 9 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.007 -0.507 25156 6164 1 9 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.755 -0.255 25156 6165 1 9 . 1 1 40 40 ARG H H 40 7.977 7.977 8.722 -0.745 25156 6166 1 9 . 1 1 41 41 SER N N 41 114.690 114.690 115.499 -0.809 25156 6167 1 9 . 1 1 41 41 SER HA H 41 4.210 4.210 4.287 -0.077 25156 6168 1 9 . 1 1 41 41 SER CA C 41 61.900 61.900 61.883 0.017 25156 6169 1 9 . 1 1 41 41 SER CB C 41 63.000 63.000 63.219 -0.219 25156 6170 1 9 . 1 1 41 41 SER H H 41 7.975 7.975 7.841 0.134 25156 6171 1 9 . 1 1 42 42 ALA N N 42 124.202 124.202 124.519 -0.317 25156 6172 1 9 . 1 1 42 42 ALA HA H 42 3.670 3.670 3.984 -0.314 25156 6173 1 9 . 1 1 42 42 ALA CA C 42 54.700 54.700 55.387 -0.687 25156 6174 1 9 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.370 -1.170 25156 6175 1 9 . 1 1 42 42 ALA H H 42 8.578 8.578 7.771 0.807 25156 6176 1 9 . 1 1 43 43 LYS N N 43 121.324 121.324 118.934 2.390 25156 6177 1 9 . 1 1 43 43 LYS HA H 43 4.060 4.060 4.000 0.060 25156 6178 1 9 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.339 -0.938 25156 6179 1 9 . 1 1 43 43 LYS CB C 43 31.300 31.300 31.935 -0.635 25156 6180 1 9 . 1 1 43 43 LYS H H 43 7.958 7.958 8.389 -0.431 25156 6181 1 9 . 1 1 44 44 ASP N N 44 118.176 118.176 120.679 -2.503 25156 6182 1 9 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.431 -0.041 25156 6183 1 9 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.331 -0.132 25156 6184 1 9 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.435 -1.135 25156 6185 1 9 . 1 1 44 44 ASP H H 44 8.111 8.111 8.250 -0.139 25156 6186 1 9 . 1 1 45 45 ILE N N 45 117.643 117.643 120.393 -2.750 25156 6187 1 9 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.778 0.042 25156 6188 1 9 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.972 -0.272 25156 6189 1 9 . 1 1 45 45 ILE CB C 45 37.600 37.600 38.137 -0.537 25156 6190 1 9 . 1 1 45 45 ILE H H 45 7.417 7.417 7.835 -0.418 25156 6191 1 9 . 1 1 46 46 THR N N 46 116.310 116.310 115.780 0.530 25156 6192 1 9 . 1 1 46 46 THR HA H 46 4.160 4.160 3.908 0.252 25156 6193 1 9 . 1 1 46 46 THR CA C 46 66.200 66.200 67.190 -0.990 25156 6194 1 9 . 1 1 46 46 THR CB C 46 67.500 67.500 68.443 -0.943 25156 6195 1 9 . 1 1 46 46 THR H H 46 7.702 7.702 8.215 -0.513 25156 6196 1 9 . 1 1 47 47 ASP N N 47 121.550 121.550 120.740 0.810 25156 6197 1 9 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.419 0.041 25156 6198 1 9 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.852 0.148 25156 6199 1 9 . 1 1 47 47 ASP CB C 47 39.400 39.400 41.114 -1.714 25156 6200 1 9 . 1 1 47 47 ASP H H 47 9.154 9.154 8.432 0.722 25156 6201 1 9 . 1 1 48 48 GLU N N 48 122.105 122.105 119.503 2.602 25156 6202 1 9 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.073 0.197 25156 6203 1 9 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.330 -0.830 25156 6204 1 9 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.611 -0.611 25156 6205 1 9 . 1 1 48 48 GLU H H 48 7.812 7.812 7.825 -0.013 25156 6206 1 9 . 1 1 49 49 ILE N N 49 119.770 119.770 118.956 0.814 25156 6207 1 9 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.744 -0.164 25156 6208 1 9 . 1 1 49 49 ILE CA C 49 65.700 65.700 64.240 1.460 25156 6209 1 9 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.628 0.272 25156 6210 1 9 . 1 1 49 49 ILE H H 49 8.655 8.655 7.544 1.111 25156 6211 1 9 . 1 1 50 50 ASN N N 50 118.094 118.094 118.025 0.069 25156 6212 1 9 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.375 0.085 25156 6213 1 9 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.231 -0.331 25156 6214 1 9 . 1 1 50 50 ASN CB C 50 37.000 37.000 37.554 -0.554 25156 6215 1 9 . 1 1 50 50 ASN H H 50 8.399 8.399 7.886 0.513 25156 6216 1 9 . 1 1 51 51 LYS N N 51 122.985 122.985 121.599 1.386 25156 6217 1 9 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.059 0.041 25156 6218 1 9 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.592 -0.092 25156 6219 1 9 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.383 -0.683 25156 6220 1 9 . 1 1 51 51 LYS H H 51 7.949 7.949 7.335 0.614 25156 6221 1 9 . 1 1 52 52 ILE N N 52 121.342 121.342 119.267 2.075 25156 6222 1 9 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.878 -0.088 25156 6223 1 9 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.944 1.856 25156 6224 1 9 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.891 1.609 25156 6225 1 9 . 1 1 52 52 ILE H H 52 8.584 8.584 7.795 0.789 25156 6226 1 9 . 1 1 53 53 LYS N N 53 118.268 118.268 120.646 -2.378 25156 6227 1 9 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.851 0.069 25156 6228 1 9 . 1 1 53 53 LYS CA C 53 60.400 60.400 60.245 0.155 25156 6229 1 9 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.886 0.214 25156 6230 1 9 . 1 1 53 53 LYS H H 53 8.548 8.548 7.866 0.682 25156 6231 1 9 . 1 1 54 54 LYS N N 54 122.485 122.485 118.766 3.719 25156 6232 1 9 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.995 0.165 25156 6233 1 9 . 1 1 54 54 LYS CA C 54 58.900 58.900 60.088 -1.188 25156 6234 1 9 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.291 -0.491 25156 6235 1 9 . 1 1 54 54 LYS H H 54 7.855 7.855 8.222 -0.367 25156 6236 1 9 . 1 1 55 55 ASP N N 55 120.775 120.775 119.301 1.474 25156 6237 1 9 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.482 -0.142 25156 6238 1 9 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.044 -0.144 25156 6239 1 9 . 1 1 55 55 ASP CB C 55 39.900 39.900 41.107 -1.207 25156 6240 1 9 . 1 1 55 55 ASP H H 55 8.813 8.813 8.134 0.679 25156 6241 1 9 . 1 1 56 56 ALA N N 56 123.205 123.205 121.922 1.283 25156 6242 1 9 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.234 -0.714 25156 6243 1 9 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.321 -0.221 25156 6244 1 9 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.769 -1.669 25156 6245 1 9 . 1 1 56 56 ALA H H 56 9.101 9.101 8.623 0.478 25156 6246 1 9 . 1 1 57 57 ALA N N 57 121.461 121.461 120.584 0.877 25156 6247 1 9 . 1 1 57 57 ALA HA H 57 4.240 4.240 4.059 0.181 25156 6248 1 9 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.550 0.250 25156 6249 1 9 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.435 -1.135 25156 6250 1 9 . 1 1 57 57 ALA H H 57 7.770 7.770 8.508 -0.738 25156 6251 1 9 . 1 1 58 58 ASP N N 58 119.548 119.548 119.932 -0.384 25156 6252 1 9 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.423 -0.033 25156 6253 1 9 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.566 -0.166 25156 6254 1 9 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.394 -0.594 25156 6255 1 9 . 1 1 58 58 ASP H H 58 8.443 8.443 8.196 0.247 25156 6256 1 9 . 1 1 59 59 ASN N N 59 115.622 115.622 114.954 0.668 25156 6257 1 9 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.661 -0.011 25156 6258 1 9 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.690 0.310 25156 6259 1 9 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.437 0.763 25156 6260 1 9 . 1 1 59 59 ASN H H 59 7.500 7.500 7.621 -0.121 25156 6261 1 9 . 1 1 60 60 ASN N N 60 116.019 116.019 117.736 -1.717 25156 6262 1 9 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.377 -0.047 25156 6263 1 9 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.185 0.115 25156 6264 1 9 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.887 -0.187 25156 6265 1 9 . 1 1 60 60 ASN H H 60 7.930 7.930 7.783 0.147 25156 6266 1 9 . 1 1 61 61 VAL N N 61 119.072 119.072 118.333 0.739 25156 6267 1 9 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.285 -0.325 25156 6268 1 9 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.436 1.064 25156 6269 1 9 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.467 -1.867 25156 6270 1 9 . 1 1 61 61 VAL H H 61 8.245 8.245 7.801 0.444 25156 6271 1 9 . 1 1 62 62 ASN N N 62 125.564 125.564 121.797 3.767 25156 6272 1 9 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.678 -0.038 25156 6273 1 9 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.511 -1.411 25156 6274 1 9 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.216 0.384 25156 6275 1 9 . 1 1 62 62 ASN H H 62 8.524 8.524 8.723 -0.199 25156 6276 1 9 . 1 1 63 63 PHE N N 63 125.711 125.711 126.840 -1.129 25156 6277 1 9 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.510 -0.810 25156 6278 1 9 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.403 -1.103 25156 6279 1 9 . 1 1 63 63 PHE H H 63 8.904 8.904 8.345 0.559 25156 6280 1 9 . 1 1 64 64 ALA N N 64 121.816 121.816 120.498 1.318 25156 6281 1 9 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.988 0.212 25156 6282 1 9 . 1 1 64 64 ALA CA C 64 53.800 53.800 53.841 -0.041 25156 6283 1 9 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.915 -0.215 25156 6284 1 9 . 1 1 64 64 ALA H H 64 8.492 8.492 8.678 -0.186 25156 6285 1 9 . 1 1 65 65 ALA N N 65 118.873 118.873 122.059 -3.186 25156 6286 1 9 . 1 1 65 65 ALA HA H 65 4.180 4.180 3.956 0.224 25156 6287 1 9 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.163 -0.763 25156 6288 1 9 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.147 0.353 25156 6289 1 9 . 1 1 65 65 ALA H H 65 7.984 7.984 7.226 0.758 25156 6290 1 9 . 1 1 66 66 PHE N N 66 115.587 115.587 115.321 0.266 25156 6291 1 9 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.104 -0.044 25156 6292 1 9 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.474 0.226 25156 6293 1 9 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.381 0.119 25156 6294 1 9 . 1 1 66 66 PHE H H 66 7.795 7.795 7.441 0.353 25156 6295 1 9 . 1 1 67 67 THR N N 67 109.477 109.477 109.118 0.359 25156 6296 1 9 . 1 1 67 67 THR HA H 67 4.330 4.330 4.192 0.138 25156 6297 1 9 . 1 1 67 67 THR CA C 67 61.900 61.900 63.221 -1.321 25156 6298 1 9 . 1 1 67 67 THR CB C 67 69.000 69.000 69.156 -0.156 25156 6299 1 9 . 1 1 67 67 THR H H 67 7.563 7.563 7.690 -0.127 25156 6300 1 9 . 1 1 68 68 ASP N N 68 122.883 122.883 122.713 0.170 25156 6301 1 9 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.564 0.086 25156 6302 1 9 . 1 1 68 68 ASP CA C 68 54.600 54.600 55.760 -1.160 25156 6303 1 9 . 1 1 68 68 ASP CB C 68 40.900 40.900 41.617 -0.717 25156 6304 1 9 . 1 1 68 68 ASP H H 68 7.969 7.969 7.519 0.450 25156 6305 1 9 . 1 1 69 69 SER N N 69 115.778 115.778 118.120 -2.342 25156 6306 1 9 . 1 1 69 69 SER HA H 69 4.410 4.410 4.577 -0.167 25156 6307 1 9 . 1 1 69 69 SER CA C 69 58.500 58.500 58.283 0.217 25156 6308 1 9 . 1 1 69 69 SER CB C 69 63.400 63.400 63.327 0.073 25156 6309 1 9 . 1 1 69 69 SER H H 69 8.277 8.277 8.393 -0.116 25156 6310 1 9 . 1 1 70 70 GLU N N 70 122.040 122.040 126.034 -3.994 25156 6311 1 9 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.501 -0.141 25156 6312 1 9 . 1 1 70 70 GLU CA C 70 56.600 56.600 56.055 0.545 25156 6313 1 9 . 1 1 70 70 GLU CB C 70 29.300 29.300 32.217 -2.917 25156 6314 1 9 . 1 1 70 70 GLU H H 70 8.464 8.464 8.422 0.042 25156 6315 1 9 . 1 1 71 71 THR N N 71 113.162 113.162 113.110 0.052 25156 6316 1 9 . 1 1 71 71 THR HA H 71 4.320 4.320 4.467 -0.147 25156 6317 1 9 . 1 1 71 71 THR CA C 71 61.900 61.900 61.928 -0.028 25156 6318 1 9 . 1 1 71 71 THR CB C 71 69.200 69.200 68.900 0.300 25156 6319 1 9 . 1 1 71 71 THR H H 71 8.060 8.060 8.303 -0.243 25156 6320 1 9 . 1 1 72 72 GLY N N 72 111.140 111.140 109.631 1.509 25156 6321 1 9 . 1 1 72 72 GLY CA C 72 45.200 45.200 44.706 0.494 25156 6322 1 9 . 1 1 72 72 GLY H H 72 8.412 8.412 7.263 1.149 25156 6323 1 9 . 1 1 73 73 SER N N 73 115.757 115.757 115.099 0.658 25156 6324 1 9 . 1 1 73 73 SER HA H 73 4.410 4.410 4.072 0.338 25156 6325 1 9 . 1 1 73 73 SER CA C 73 58.400 58.400 58.681 -0.281 25156 6326 1 9 . 1 1 73 73 SER CB C 73 63.400 63.400 63.432 -0.032 25156 6327 1 9 . 1 1 73 73 SER H H 73 8.237 8.237 8.242 -0.005 25156 6328 1 9 . 1 1 75 75 VAL N N 75 118.866 118.866 121.325 -2.459 25156 6329 1 9 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.529 -0.379 25156 6330 1 9 . 1 1 75 75 VAL CA C 75 61.900 61.900 60.188 1.712 25156 6331 1 9 . 1 1 75 75 VAL CB C 75 32.600 32.600 34.442 -1.842 25156 6332 1 9 . 1 1 75 75 VAL H H 75 7.997 7.997 7.950 0.047 25156 6333 1 9 . 1 1 76 76 SER N N 76 117.059 117.059 118.916 -1.857 25156 6334 1 9 . 1 1 76 76 SER HA H 76 4.280 4.280 4.194 0.086 25156 6335 1 9 . 1 1 76 76 SER CA C 76 58.600 58.600 59.986 -1.386 25156 6336 1 9 . 1 1 76 76 SER CB C 76 63.400 63.400 63.851 -0.451 25156 6337 1 9 . 1 1 76 76 SER H H 76 8.183 8.183 8.904 -0.721 25156 6338 1 9 . 1 1 77 77 GLU N N 77 121.924 121.924 119.670 2.254 25156 6339 1 9 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.184 0.136 25156 6340 1 9 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.099 -1.200 25156 6341 1 9 . 1 1 77 77 GLU CB C 77 29.700 29.700 28.313 1.387 25156 6342 1 9 . 1 1 77 77 GLU H H 77 8.302 8.302 8.808 -0.506 25156 6343 1 9 . 1 1 78 78 ASN N N 78 120.401 120.401 115.197 5.204 25156 6344 1 9 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.884 -0.124 25156 6345 1 9 . 1 1 78 78 ASN CA C 78 52.900 52.900 52.815 0.085 25156 6346 1 9 . 1 1 78 78 ASN CB C 78 39.100 39.100 40.912 -1.812 25156 6347 1 9 . 1 1 78 78 ASN H H 78 8.308 8.308 7.656 0.652 25156 6348 1 9 . 1 1 79 79 SER CA C 79 58.300 58.300 60.304 -2.004 25156 6349 1 9 . 1 1 79 79 SER CB C 79 62.300 62.300 63.151 -0.851 25156 6350 1 9 . 1 1 80 80 PHE N N 80 121.812 121.812 123.324 -1.512 25156 6351 1 9 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.280 -0.060 25156 6352 1 9 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.449 -0.249 25156 6353 1 9 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.763 -0.563 25156 6354 1 9 . 1 1 80 80 PHE H H 80 8.280 8.280 8.388 -0.108 25156 6355 1 9 . 1 1 81 81 ILE N N 81 119.199 119.199 118.340 0.859 25156 6356 1 9 . 1 1 81 81 ILE HA H 81 3.230 3.230 3.217 0.013 25156 6357 1 9 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.992 -0.392 25156 6358 1 9 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.628 0.072 25156 6359 1 9 . 1 1 81 81 ILE H H 81 7.483 7.483 7.494 -0.011 25156 6360 1 9 . 1 1 82 82 LEU N N 82 117.108 117.108 119.098 -1.990 25156 6361 1 9 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.905 0.215 25156 6362 1 9 . 1 1 82 82 LEU CA C 82 57.600 57.600 58.126 -0.526 25156 6363 1 9 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.342 1.358 25156 6364 1 9 . 1 1 82 82 LEU H H 82 7.464 7.464 7.382 0.082 25156 6365 1 9 . 1 1 83 83 GLU N N 83 117.300 117.300 119.431 -2.131 25156 6366 1 9 . 1 1 83 83 GLU HA H 83 3.670 3.670 4.029 -0.359 25156 6367 1 9 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.277 -0.377 25156 6368 1 9 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.907 -0.807 25156 6369 1 9 . 1 1 83 83 GLU H H 83 8.093 8.093 8.733 -0.640 25156 6370 1 9 . 1 1 84 84 ALA N N 84 122.149 122.149 121.904 0.245 25156 6371 1 9 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.032 -0.182 25156 6372 1 9 . 1 1 84 84 ALA CA C 84 55.000 55.000 54.923 0.077 25156 6373 1 9 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.021 0.379 25156 6374 1 9 . 1 1 84 84 ALA H H 84 8.431 8.431 8.394 0.037 25156 6375 1 9 . 1 1 85 85 LYS N N 85 116.458 116.458 118.743 -2.285 25156 6376 1 9 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.838 0.122 25156 6377 1 9 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.628 1.072 25156 6378 1 9 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.420 -0.621 25156 6379 1 9 . 1 1 85 85 LYS H H 85 8.122 8.122 7.874 0.248 25156 6380 1 9 . 1 1 86 86 VAL N N 86 122.206 122.206 118.099 4.107 25156 6381 1 9 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.688 -0.348 25156 6382 1 9 . 1 1 86 86 VAL CA C 86 67.600 67.600 65.978 1.622 25156 6383 1 9 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.220 0.180 25156 6384 1 9 . 1 1 86 86 VAL H H 86 8.116 8.116 7.233 0.883 25156 6385 1 9 . 1 1 87 87 ARG N N 87 122.354 122.354 119.286 3.068 25156 6386 1 9 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.036 -0.006 25156 6387 1 9 . 1 1 87 87 ARG CA C 87 59.400 59.400 59.628 -0.228 25156 6388 1 9 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.675 1.125 25156 6389 1 9 . 1 1 87 87 ARG H H 87 8.768 8.768 7.533 1.235 25156 6390 1 9 . 1 1 88 88 ALA N N 88 119.659 119.659 120.523 -0.864 25156 6391 1 9 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.102 -0.202 25156 6392 1 9 . 1 1 88 88 ALA CA C 88 54.800 54.800 55.276 -0.476 25156 6393 1 9 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.173 0.027 25156 6394 1 9 . 1 1 88 88 ALA H H 88 8.789 8.789 7.559 1.230 25156 6395 1 9 . 1 1 89 89 THR N N 89 105.646 105.646 111.394 -5.748 25156 6396 1 9 . 1 1 89 89 THR HA H 89 4.310 4.310 4.040 0.270 25156 6397 1 9 . 1 1 89 89 THR CA C 89 65.600 65.600 65.723 -0.123 25156 6398 1 9 . 1 1 89 89 THR CB C 89 67.900 67.900 68.287 -0.387 25156 6399 1 9 . 1 1 89 89 THR H H 89 8.063 8.063 7.279 0.784 25156 6400 1 9 . 1 1 90 90 THR N N 90 120.262 120.262 117.326 2.936 25156 6401 1 9 . 1 1 90 90 THR HA H 90 4.370 4.370 4.139 0.231 25156 6402 1 9 . 1 1 90 90 THR CA C 90 67.000 67.000 65.776 1.224 25156 6403 1 9 . 1 1 90 90 THR CB C 90 68.200 68.200 68.627 -0.427 25156 6404 1 9 . 1 1 90 90 THR H H 90 8.021 8.021 8.385 -0.364 25156 6405 1 9 . 1 1 91 91 VAL N N 91 119.100 119.100 121.215 -2.115 25156 6406 1 9 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.749 0.271 25156 6407 1 9 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.473 -0.173 25156 6408 1 9 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.770 -0.870 25156 6409 1 9 . 1 1 91 91 VAL H H 91 7.653 7.653 7.421 0.232 25156 6410 1 9 . 1 1 92 92 ALA N N 92 124.800 124.800 121.353 3.447 25156 6411 1 9 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.005 0.295 25156 6412 1 9 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.107 -0.507 25156 6413 1 9 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.066 1.435 25156 6414 1 9 . 1 1 92 92 ALA H H 92 8.189 8.189 7.468 0.721 25156 6415 1 9 . 1 1 93 93 GLU N N 93 120.300 120.300 118.187 2.113 25156 6416 1 9 . 1 1 93 93 GLU HA H 93 3.780 3.780 4.013 -0.233 25156 6417 1 9 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.633 0.567 25156 6418 1 9 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.550 -0.850 25156 6419 1 9 . 1 1 93 93 GLU H H 93 8.710 8.710 8.615 0.095 25156 6420 1 9 . 1 1 94 94 LYS N N 94 119.247 119.247 119.258 -0.011 25156 6421 1 9 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.051 0.049 25156 6422 1 9 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.484 0.016 25156 6423 1 9 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.163 -0.663 25156 6424 1 9 . 1 1 94 94 LYS H H 94 7.575 7.575 7.467 0.108 25156 6425 1 9 . 1 1 95 95 PHE N N 95 121.711 121.711 119.229 2.482 25156 6426 1 9 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.193 0.417 25156 6427 1 9 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.912 -2.212 25156 6428 1 9 . 1 1 95 95 PHE CB C 95 39.000 39.000 38.956 0.044 25156 6429 1 9 . 1 1 95 95 PHE H H 95 7.467 7.467 7.577 -0.110 25156 6430 1 9 . 1 1 96 96 VAL N N 96 119.674 119.674 119.307 0.367 25156 6431 1 9 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.794 -0.664 25156 6432 1 9 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.207 0.693 25156 6433 1 9 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.555 -0.555 25156 6434 1 9 . 1 1 96 96 VAL H H 96 8.186 8.186 7.743 0.443 25156 6435 1 9 . 1 1 97 97 THR N N 97 117.086 117.086 116.091 0.995 25156 6436 1 9 . 1 1 97 97 THR HA H 97 4.300 4.300 4.011 0.289 25156 6437 1 9 . 1 1 97 97 THR CA C 97 65.600 65.600 66.528 -0.929 25156 6438 1 9 . 1 1 97 97 THR CB C 97 68.300 68.300 68.493 -0.193 25156 6439 1 9 . 1 1 97 97 THR H H 97 8.470 8.470 8.403 0.067 25156 6440 1 9 . 1 1 98 98 ALA N N 98 126.429 126.429 124.344 2.085 25156 6441 1 9 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.067 0.103 25156 6442 1 9 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.844 0.256 25156 6443 1 9 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.855 -1.155 25156 6444 1 9 . 1 1 98 98 ALA H H 98 7.842 7.842 8.438 -0.596 25156 6445 1 9 . 1 1 99 99 ILE N N 99 121.241 121.241 119.989 1.252 25156 6446 1 9 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.576 -0.096 25156 6447 1 9 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.502 -1.502 25156 6448 1 9 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.949 -2.748 25156 6449 1 9 . 1 1 99 99 ILE H H 99 7.937 7.937 7.926 0.011 25156 6450 1 9 . 1 1 100 100 GLU N N 100 118.069 118.069 117.701 0.368 25156 6451 1 9 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.987 -0.267 25156 6452 1 9 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.608 0.392 25156 6453 1 9 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.411 -0.111 25156 6454 1 9 . 1 1 100 100 GLU H H 100 8.458 8.458 7.808 0.650 25156 6455 1 9 . 1 1 101 101 GLY N N 101 107.210 107.210 106.076 1.134 25156 6456 1 9 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.480 1.420 25156 6457 1 9 . 1 1 101 101 GLY H H 101 8.411 8.411 7.264 1.147 25156 6458 1 9 . 1 1 102 102 GLU N N 102 121.134 121.134 122.979 -1.845 25156 6459 1 9 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.922 0.258 25156 6460 1 9 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.729 -0.929 25156 6461 1 9 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.671 -0.971 25156 6462 1 9 . 1 1 102 102 GLU H H 102 8.344 8.344 8.705 -0.361 25156 6463 1 9 . 1 1 103 103 ALA N N 103 121.862 121.862 118.659 3.203 25156 6464 1 9 . 1 1 103 103 ALA HA H 103 4.050 4.050 4.103 -0.053 25156 6465 1 9 . 1 1 103 103 ALA CA C 103 56.000 56.000 53.338 2.662 25156 6466 1 9 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.562 -2.062 25156 6467 1 9 . 1 1 103 103 ALA H H 103 9.325 9.325 7.856 1.469 25156 6468 1 9 . 1 1 104 104 THR N N 104 110.782 110.782 115.551 -4.769 25156 6469 1 9 . 1 1 104 104 THR HA H 104 4.330 4.330 4.059 0.271 25156 6470 1 9 . 1 1 104 104 THR CA C 104 67.000 67.000 62.994 4.006 25156 6471 1 9 . 1 1 104 104 THR CB C 104 68.100 68.100 69.622 -1.522 25156 6472 1 9 . 1 1 104 104 THR H H 104 7.796 7.796 7.370 0.426 25156 6473 1 9 . 1 1 105 105 LYS N N 105 123.041 123.041 119.297 3.744 25156 6474 1 9 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.106 -0.056 25156 6475 1 9 . 1 1 105 105 LYS CA C 105 59.200 59.200 57.302 1.898 25156 6476 1 9 . 1 1 105 105 LYS CB C 105 32.200 32.200 32.880 -0.680 25156 6477 1 9 . 1 1 105 105 LYS H H 105 7.728 7.728 8.336 -0.608 25156 6478 1 9 . 1 1 106 106 LEU N N 106 117.015 117.015 121.220 -4.205 25156 6479 1 9 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.076 0.434 25156 6480 1 9 . 1 1 106 106 LEU CA C 106 54.200 54.200 56.623 -2.423 25156 6481 1 9 . 1 1 106 106 LEU CB C 106 42.300 42.300 42.119 0.181 25156 6482 1 9 . 1 1 106 106 LEU H H 106 7.768 7.768 8.432 -0.664 25156 6483 1 9 . 1 1 107 107 LYS N N 107 122.173 122.173 118.546 3.627 25156 6484 1 9 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.938 -0.018 25156 6485 1 9 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.218 1.682 25156 6486 1 9 . 1 1 107 107 LYS CB C 107 32.500 32.500 31.899 0.601 25156 6487 1 9 . 1 1 107 107 LYS H H 107 7.452 7.452 8.115 -0.663 25156 6488 1 9 . 1 1 108 108 LYS N N 108 114.243 114.243 115.694 -1.451 25156 6489 1 9 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.397 0.203 25156 6490 1 9 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.492 -0.692 25156 6491 1 9 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.616 0.184 25156 6492 1 9 . 1 1 108 108 LYS H H 108 8.735 8.735 7.721 1.014 25156 6493 1 9 . 1 1 109 109 THR N N 109 106.918 106.918 112.143 -5.225 25156 6494 1 9 . 1 1 109 109 THR HA H 109 4.410 4.410 4.582 -0.172 25156 6495 1 9 . 1 1 109 109 THR CA C 109 61.500 61.500 60.423 1.077 25156 6496 1 9 . 1 1 109 109 THR CB C 109 69.700 69.700 67.451 2.249 25156 6497 1 9 . 1 1 109 109 THR H H 109 7.530 7.530 7.671 -0.141 25156 6498 1 9 . 1 1 110 110 GLY N N 110 111.753 111.753 110.661 1.092 25156 6499 1 9 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.867 -1.667 25156 6500 1 9 . 1 1 110 110 GLY H H 110 9.066 9.066 7.914 1.152 25156 6501 1 9 . 1 1 111 111 SER N N 111 118.638 118.638 115.971 2.667 25156 6502 1 9 . 1 1 111 111 SER HA H 111 4.930 4.930 4.593 0.337 25156 6503 1 9 . 1 1 111 111 SER CA C 111 56.600 56.600 57.124 -0.524 25156 6504 1 9 . 1 1 111 111 SER CB C 111 66.400 66.400 65.801 0.599 25156 6505 1 9 . 1 1 111 111 SER H H 111 8.709 8.709 7.989 0.720 25156 6506 1 9 . 1 1 112 112 SER N N 112 116.928 116.928 117.778 -0.850 25156 6507 1 9 . 1 1 112 112 SER CA C 112 61.200 61.200 61.625 -0.425 25156 6508 1 9 . 1 1 112 112 SER CB C 112 62.500 62.500 62.932 -0.432 25156 6509 1 9 . 1 1 112 112 SER H H 112 9.082 9.082 8.730 0.352 25156 6510 1 9 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.602 -0.302 25156 6511 1 9 . 1 1 114 114 GLU N N 114 122.746 122.746 122.378 0.368 25156 6512 1 9 . 1 1 114 114 GLU HA H 114 3.750 3.750 3.912 -0.162 25156 6513 1 9 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.305 -0.305 25156 6514 1 9 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.216 -0.316 25156 6515 1 9 . 1 1 114 114 GLU H H 114 7.628 7.628 8.143 -0.515 25156 6516 1 9 . 1 1 115 115 PHE N N 115 118.328 118.328 115.774 2.554 25156 6517 1 9 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.405 0.015 25156 6518 1 9 . 1 1 115 115 PHE CA C 115 61.500 61.500 59.776 1.724 25156 6519 1 9 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.761 -0.862 25156 6520 1 9 . 1 1 115 115 PHE H H 115 7.102 7.102 7.477 -0.375 25156 6521 1 9 . 1 1 116 116 SER N N 116 115.349 115.349 116.635 -1.286 25156 6522 1 9 . 1 1 116 116 SER HA H 116 4.510 4.510 4.084 0.426 25156 6523 1 9 . 1 1 116 116 SER CA C 116 61.700 61.700 61.500 0.200 25156 6524 1 9 . 1 1 116 116 SER CB C 116 62.800 62.800 62.808 -0.008 25156 6525 1 9 . 1 1 116 116 SER H H 116 8.940 8.940 6.459 2.481 25156 6526 1 9 . 1 1 117 117 ALA N N 117 122.730 122.730 122.978 -0.248 25156 6527 1 9 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.312 -0.042 25156 6528 1 9 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.252 0.548 25156 6529 1 9 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.311 -0.911 25156 6530 1 9 . 1 1 117 117 ALA H H 117 7.501 7.501 8.535 -1.034 25156 6531 1 9 . 1 1 118 118 MET N N 118 118.754 118.754 120.486 -1.732 25156 6532 1 9 . 1 1 118 118 MET HA H 118 3.950 3.950 4.145 -0.195 25156 6533 1 9 . 1 1 118 118 MET CA C 118 60.300 60.300 59.448 0.852 25156 6534 1 9 . 1 1 118 118 MET CB C 118 31.500 31.500 32.672 -1.172 25156 6535 1 9 . 1 1 118 118 MET H H 118 7.812 7.812 8.090 -0.278 25156 6536 1 9 . 1 1 119 119 TYR N N 119 119.385 119.385 118.426 0.959 25156 6537 1 9 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.221 0.129 25156 6538 1 9 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.628 -0.328 25156 6539 1 9 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.429 -1.229 25156 6540 1 9 . 1 1 119 119 TYR H H 119 8.213 8.213 7.917 0.296 25156 6541 1 9 . 1 1 120 120 ASN N N 120 116.665 116.665 118.218 -1.553 25156 6542 1 9 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.370 -0.220 25156 6543 1 9 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.999 0.201 25156 6544 1 9 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.338 -0.838 25156 6545 1 9 . 1 1 120 120 ASN H H 120 8.592 8.592 7.753 0.839 25156 6546 1 9 . 1 1 121 121 MET N N 121 118.788 118.788 118.573 0.215 25156 6547 1 9 . 1 1 121 121 MET HA H 121 4.250 4.250 4.086 0.164 25156 6548 1 9 . 1 1 121 121 MET CA C 121 59.500 59.500 57.815 1.685 25156 6549 1 9 . 1 1 121 121 MET CB C 121 33.800 33.800 31.778 2.022 25156 6550 1 9 . 1 1 121 121 MET H H 121 7.900 7.900 7.856 0.044 25156 6551 1 9 . 1 1 122 122 MET N N 122 118.670 118.670 119.788 -1.118 25156 6552 1 9 . 1 1 122 122 MET HA H 122 3.950 3.950 3.753 0.197 25156 6553 1 9 . 1 1 122 122 MET CA C 122 60.300 60.300 58.826 1.474 25156 6554 1 9 . 1 1 122 122 MET CB C 122 33.400 33.400 32.346 1.054 25156 6555 1 9 . 1 1 122 122 MET H H 122 7.813 7.813 7.372 0.441 25156 6556 1 9 . 1 1 123 123 LEU N N 123 118.865 118.865 118.989 -0.124 25156 6557 1 9 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.856 0.054 25156 6558 1 9 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.943 -0.443 25156 6559 1 9 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.523 -0.023 25156 6560 1 9 . 1 1 123 123 LEU H H 123 7.941 7.941 7.298 0.643 25156 6561 1 9 . 1 1 124 124 GLU N N 124 121.088 121.088 119.414 1.674 25156 6562 1 9 . 1 1 124 124 GLU HA H 124 3.950 3.950 3.997 -0.047 25156 6563 1 9 . 1 1 124 124 GLU CA C 124 59.300 59.300 58.866 0.434 25156 6564 1 9 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.170 -0.170 25156 6565 1 9 . 1 1 124 124 GLU H H 124 8.398 8.398 7.597 0.801 25156 6566 1 9 . 1 1 125 125 VAL N N 125 112.092 112.092 118.832 -6.740 25156 6567 1 9 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.622 0.378 25156 6568 1 9 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.559 -2.459 25156 6569 1 9 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.215 0.985 25156 6570 1 9 . 1 1 125 125 VAL H H 125 7.682 7.682 8.426 -0.744 25156 6571 1 9 . 1 1 126 126 SER N N 126 116.396 116.396 115.822 0.574 25156 6572 1 9 . 1 1 126 126 SER CA C 126 63.300 63.300 60.914 2.386 25156 6573 1 9 . 1 1 126 126 SER CB C 126 62.800 62.800 62.196 0.604 25156 6574 1 9 . 1 1 126 126 SER H H 126 7.410 7.410 7.563 -0.153 25156 6575 1 9 . 1 1 127 127 GLY N N 127 107.199 107.199 110.627 -3.428 25156 6576 1 9 . 1 1 127 127 GLY CA C 127 48.100 48.100 46.703 1.397 25156 6577 1 9 . 1 1 127 127 GLY H H 127 7.321 7.321 8.240 -0.919 25156 6578 1 9 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.104 0.206 25156 6579 1 9 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.730 -0.930 25156 6580 1 9 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.351 0.649 25156 6581 1 9 . 1 1 129 129 LEU N N 129 113.172 113.172 116.388 -3.216 25156 6582 1 9 . 1 1 129 129 LEU HA H 129 3.900 3.900 3.957 -0.057 25156 6583 1 9 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.547 -0.147 25156 6584 1 9 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.477 -0.477 25156 6585 1 9 . 1 1 129 129 LEU H H 129 6.913 6.913 7.589 -0.676 25156 6586 1 9 . 1 1 130 130 GLU N N 130 121.331 121.331 119.106 2.225 25156 6587 1 9 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.171 -0.051 25156 6588 1 9 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.082 0.218 25156 6589 1 9 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.467 -0.967 25156 6590 1 9 . 1 1 130 130 GLU H H 130 8.203 8.203 7.986 0.217 25156 6591 1 9 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.112 -0.142 25156 6592 1 9 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.787 -0.287 25156 6593 1 9 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.431 -0.231 25156 6594 1 9 . 1 1 132 132 LEU N N 132 115.804 115.804 119.194 -3.390 25156 6595 1 9 . 1 1 132 132 LEU HA H 132 3.910 3.910 3.841 0.069 25156 6596 1 9 . 1 1 132 132 LEU CA C 132 53.100 53.100 54.016 -0.916 25156 6597 1 9 . 1 1 132 132 LEU CB C 132 41.200 41.200 41.459 -0.259 25156 6598 1 9 . 1 1 132 132 LEU H H 132 6.977 6.977 7.382 -0.405 25156 6599 1 9 . 1 1 133 133 GLY N N 133 105.653 105.653 106.822 -1.169 25156 6600 1 9 . 1 1 133 133 GLY CA C 133 45.100 45.100 45.035 0.065 25156 6601 1 9 . 1 1 133 133 GLY H H 133 7.484 7.484 7.635 -0.151 25156 6602 1 9 . 1 1 134 134 VAL CA C 134 62.900 62.900 63.046 -0.146 25156 6603 1 9 . 1 1 134 134 VAL CB C 134 31.800 31.800 31.790 0.010 25156 6604 1 9 . 1 1 137 137 MET CA C 137 58.100 58.100 55.672 2.428 25156 6605 1 9 . 1 1 138 138 THR N N 138 115.359 115.359 116.236 -0.877 25156 6606 1 9 . 1 1 138 138 THR CA C 138 67.100 67.100 65.393 1.707 25156 6607 1 9 . 1 1 138 138 THR H H 138 9.225 9.225 8.386 0.839 25156 6608 1 9 . 1 1 139 139 LYS N N 139 123.109 123.109 120.267 2.842 25156 6609 1 9 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.057 0.143 25156 6610 1 9 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.923 -2.023 25156 6611 1 9 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.268 -0.668 25156 6612 1 9 . 1 1 139 139 LYS H H 139 8.172 8.172 8.286 -0.114 25156 6613 1 9 . 1 1 140 140 THR N N 140 115.472 115.472 116.529 -1.057 25156 6614 1 9 . 1 1 140 140 THR HA H 140 4.000 4.000 4.065 -0.065 25156 6615 1 9 . 1 1 140 140 THR CA C 140 67.000 67.000 66.388 0.612 25156 6616 1 9 . 1 1 140 140 THR CB C 140 68.200 68.200 68.510 -0.311 25156 6617 1 9 . 1 1 140 140 THR H H 140 8.063 8.063 8.210 -0.147 25156 6618 1 9 . 1 1 141 141 VAL N N 141 121.319 121.319 120.969 0.350 25156 6619 1 9 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.792 -0.162 25156 6620 1 9 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.245 0.955 25156 6621 1 9 . 1 1 141 141 VAL CB C 141 31.500 31.500 30.970 0.530 25156 6622 1 9 . 1 1 141 141 VAL H H 141 7.753 7.753 7.535 0.218 25156 6623 1 9 . 1 1 142 142 THR N N 142 114.753 114.753 116.371 -1.618 25156 6624 1 9 . 1 1 142 142 THR HA H 142 4.380 4.380 4.250 0.130 25156 6625 1 9 . 1 1 142 142 THR CA C 142 65.900 65.900 66.567 -0.667 25156 6626 1 9 . 1 1 142 142 THR CB C 142 67.800 67.800 68.502 -0.702 25156 6627 1 9 . 1 1 142 142 THR H H 142 8.965 8.965 8.446 0.519 25156 6628 1 9 . 1 1 143 143 ASP N N 143 123.699 123.699 122.419 1.280 25156 6629 1 9 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.356 0.054 25156 6630 1 9 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.203 -0.403 25156 6631 1 9 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.612 -1.612 25156 6632 1 9 . 1 1 143 143 ASP H H 143 9.254 9.254 8.598 0.656 25156 6633 1 9 . 1 1 144 144 ALA N N 144 122.856 122.856 121.993 0.863 25156 6634 1 9 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.121 0.219 25156 6635 1 9 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.948 -0.248 25156 6636 1 9 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.488 0.712 25156 6637 1 9 . 1 1 144 144 ALA H H 144 7.668 7.668 7.531 0.137 25156 6638 1 9 . 1 1 145 145 ALA N N 145 119.307 119.307 120.047 -0.740 25156 6639 1 9 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.176 0.364 25156 6640 1 9 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.539 -1.839 25156 6641 1 9 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.351 -0.151 25156 6642 1 9 . 1 1 145 145 ALA H H 145 7.718 7.718 7.841 -0.123 25156 6643 1 9 . 1 1 146 146 GLU N N 146 115.837 115.837 118.413 -2.576 25156 6644 1 9 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.041 0.149 25156 6645 1 9 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.952 -1.652 25156 6646 1 9 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.382 -0.282 25156 6647 1 9 . 1 1 146 146 GLU H H 146 7.491 7.491 7.830 -0.339 25156 6648 1 9 . 1 1 147 147 GLN N N 147 115.066 115.066 116.796 -1.730 25156 6649 1 9 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.217 -0.017 25156 6650 1 9 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.465 -1.165 25156 6651 1 9 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.446 0.654 25156 6652 1 9 . 1 1 147 147 GLN H H 147 7.248 7.248 7.624 -0.376 25156 6653 1 9 . 1 1 148 148 HIS N N 148 119.398 119.398 119.246 0.152 25156 6654 1 9 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.675 0.325 25156 6655 1 9 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.180 -1.680 25156 6656 1 9 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.469 2.131 25156 6657 1 9 . 1 1 148 148 HIS H H 148 7.747 7.747 7.826 -0.079 25156 6658 1 9 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.458 0.012 25156 6659 1 9 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.766 -1.466 25156 6660 1 9 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.269 0.031 25156 6661 1 9 . 1 1 150 150 THR N N 150 108.042 108.042 117.664 -9.622 25156 6662 1 9 . 1 1 150 150 THR HA H 150 4.040 4.040 3.756 0.284 25156 6663 1 9 . 1 1 150 150 THR CA C 150 60.700 60.700 65.835 -5.135 25156 6664 1 9 . 1 1 150 150 THR CB C 150 68.400 68.400 68.629 -0.229 25156 6665 1 9 . 1 1 150 150 THR H H 150 7.864 7.864 8.773 -0.909 25156 6666 1 9 . 1 1 151 151 THR N N 151 134.400 134.400 103.722 30.678 25156 6667 1 9 . 1 1 151 151 THR HA H 151 4.550 4.550 4.385 0.165 25156 6668 1 9 . 1 1 151 151 THR CA C 151 60.400 60.400 62.443 -2.043 25156 6669 1 9 . 1 1 151 151 THR CB C 151 68.900 68.900 69.700 -0.799 25156 6670 1 9 . 1 1 151 151 THR H H 151 6.900 6.900 8.044 -1.144 25156 6671 1 9 . 1 1 152 152 THR N N 152 108.396 108.396 117.448 -9.052 25156 6672 1 9 . 1 1 152 152 THR HA H 152 4.290 4.290 4.141 0.149 25156 6673 1 9 . 1 1 152 152 THR CA C 152 57.700 57.700 63.366 -5.666 25156 6674 1 9 . 1 1 152 152 THR CB C 152 71.500 71.500 68.748 2.752 25156 6675 1 9 . 1 1 152 152 THR H H 152 7.104 7.104 7.702 -0.598 25156 6676 1 9 . 1 1 153 153 ALA N N 153 122.816 122.816 121.412 1.404 25156 6677 1 9 . 1 1 153 153 ALA HA H 153 3.030 3.030 3.863 -0.833 25156 6678 1 9 . 1 1 153 153 ALA CA C 153 54.700 54.700 54.232 0.468 25156 6679 1 9 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.432 0.368 25156 6680 1 9 . 1 1 153 153 ALA H H 153 7.580 7.580 8.313 -0.733 25156 6681 1 9 . 1 1 154 154 GLU N N 154 113.788 113.788 118.421 -4.633 25156 6682 1 9 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.086 -0.346 25156 6683 1 9 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.696 1.104 25156 6684 1 9 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.454 -1.154 25156 6685 1 9 . 1 1 154 154 GLU H H 154 8.544 8.544 8.562 -0.018 25156 6686 1 9 . 1 1 155 155 GLY N N 155 108.136 108.136 109.287 -1.151 25156 6687 1 9 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.223 -0.323 25156 6688 1 9 . 1 1 155 155 GLY H H 155 7.973 7.973 8.128 -0.155 25156 6689 1 9 . 1 1 156 156 ILE N N 156 119.992 119.992 122.397 -2.405 25156 6690 1 9 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.649 0.051 25156 6691 1 9 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.145 -3.745 25156 6692 1 9 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.841 -3.141 25156 6693 1 9 . 1 1 156 156 ILE H H 156 7.688 7.688 8.238 -0.550 25156 6694 1 9 . 1 1 157 157 LEU N N 157 118.638 118.638 118.552 0.086 25156 6695 1 9 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.930 -0.040 25156 6696 1 9 . 1 1 157 157 LEU CA C 157 58.100 58.100 57.503 0.597 25156 6697 1 9 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.365 -0.665 25156 6698 1 9 . 1 1 157 157 LEU H H 157 8.535 8.535 7.292 1.243 25156 6699 1 9 . 1 1 158 158 GLU N N 158 119.400 119.400 117.899 1.501 25156 6700 1 9 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.169 -0.209 25156 6701 1 9 . 1 1 158 158 GLU CA C 158 58.200 58.200 58.636 -0.436 25156 6702 1 9 . 1 1 158 158 GLU CB C 158 27.100 27.100 30.293 -3.193 25156 6703 1 9 . 1 1 158 158 GLU H H 158 7.606 7.606 7.540 0.066 25156 6704 1 9 . 1 1 159 159 ILE N N 159 122.226 122.226 120.554 1.672 25156 6705 1 9 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.555 -0.085 25156 6706 1 9 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.738 1.262 25156 6707 1 9 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.471 1.029 25156 6708 1 9 . 1 1 159 159 ILE H H 159 8.285 8.285 8.661 -0.376 25156 6709 1 9 . 1 1 160 160 ALA N N 160 121.722 121.722 122.852 -1.130 25156 6710 1 9 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.875 0.025 25156 6711 1 9 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.928 0.072 25156 6712 1 9 . 1 1 160 160 ALA CB C 160 17.900 17.900 18.009 -0.109 25156 6713 1 9 . 1 1 160 160 ALA H H 160 9.171 9.171 8.039 1.132 25156 6714 1 9 . 1 1 161 161 LYS N N 161 117.720 117.720 118.724 -1.004 25156 6715 1 9 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.971 -0.101 25156 6716 1 9 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.445 0.055 25156 6717 1 9 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.269 -0.669 25156 6718 1 9 . 1 1 161 161 LYS H H 161 7.661 7.661 7.853 -0.192 25156 6719 1 9 . 1 1 162 162 ILE N N 162 122.241 122.241 119.520 2.721 25156 6720 1 9 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.778 -0.068 25156 6721 1 9 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.331 0.769 25156 6722 1 9 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.148 -0.048 25156 6723 1 9 . 1 1 162 162 ILE H H 162 7.587 7.587 7.617 -0.030 25156 6724 1 9 . 1 1 163 163 MET N N 163 120.758 120.758 118.661 2.097 25156 6725 1 9 . 1 1 163 163 MET HA H 163 3.790 3.790 4.011 -0.221 25156 6726 1 9 . 1 1 163 163 MET CA C 163 60.200 60.200 59.219 0.980 25156 6727 1 9 . 1 1 163 163 MET CB C 163 32.200 32.200 32.502 -0.302 25156 6728 1 9 . 1 1 163 163 MET H H 163 8.581 8.581 7.501 1.080 25156 6729 1 9 . 1 1 164 164 LYS N N 164 118.723 118.723 118.499 0.224 25156 6730 1 9 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.938 -0.188 25156 6731 1 9 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.989 0.312 25156 6732 1 9 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.310 -0.510 25156 6733 1 9 . 1 1 164 164 LYS H H 164 9.221 9.221 8.172 1.049 25156 6734 1 9 . 1 1 165 165 THR N N 165 115.639 115.639 115.387 0.252 25156 6735 1 9 . 1 1 165 165 THR HA H 165 4.270 4.270 3.994 0.276 25156 6736 1 9 . 1 1 165 165 THR CA C 165 66.400 66.400 66.716 -0.316 25156 6737 1 9 . 1 1 165 165 THR CB C 165 68.200 68.200 68.331 -0.131 25156 6738 1 9 . 1 1 165 165 THR H H 165 8.336 8.336 7.502 0.834 25156 6739 1 9 . 1 1 166 166 LYS N N 166 121.525 121.525 122.004 -0.479 25156 6740 1 9 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.100 0.070 25156 6741 1 9 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.413 -0.613 25156 6742 1 9 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.109 -1.509 25156 6743 1 9 . 1 1 166 166 LYS H H 166 7.357 7.357 7.497 -0.140 25156 6744 1 9 . 1 1 167 167 LEU N N 167 117.600 117.600 120.013 -2.413 25156 6745 1 9 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.145 -0.255 25156 6746 1 9 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.267 -0.168 25156 6747 1 9 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.523 0.477 25156 6748 1 9 . 1 1 167 167 LEU H H 167 8.090 8.090 7.608 0.482 25156 6749 1 9 . 1 1 168 168 GLN N N 168 117.484 117.484 118.712 -1.228 25156 6750 1 9 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.181 -0.071 25156 6751 1 9 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.787 -0.487 25156 6752 1 9 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.506 -0.906 25156 6753 1 9 . 1 1 168 168 GLN H H 168 8.793 8.793 8.035 0.758 25156 6754 1 9 . 1 1 169 169 ARG N N 169 121.344 121.344 120.497 0.847 25156 6755 1 9 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.011 0.219 25156 6756 1 9 . 1 1 169 169 ARG CA C 169 59.400 59.400 60.182 -0.782 25156 6757 1 9 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.211 -1.111 25156 6758 1 9 . 1 1 169 169 ARG H H 169 8.051 8.051 8.414 -0.363 25156 6759 1 9 . 1 1 170 170 VAL N N 170 120.397 120.397 118.869 1.528 25156 6760 1 9 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.675 0.085 25156 6761 1 9 . 1 1 170 170 VAL CA C 170 66.300 66.300 65.975 0.325 25156 6762 1 9 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.868 -0.268 25156 6763 1 9 . 1 1 170 170 VAL H H 170 7.911 7.911 8.404 -0.493 25156 6764 1 9 . 1 1 171 171 HIS N N 171 122.970 122.970 118.182 4.788 25156 6765 1 9 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.466 -0.456 25156 6766 1 9 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.157 0.142 25156 6767 1 9 . 1 1 171 171 HIS CB C 171 29.600 29.600 29.707 -0.107 25156 6768 1 9 . 1 1 171 171 HIS H H 171 9.281 9.281 7.772 1.509 25156 6769 1 9 . 1 1 172 172 THR N N 172 115.729 115.729 118.241 -2.512 25156 6770 1 9 . 1 1 172 172 THR HA H 172 4.360 4.360 4.029 0.331 25156 6771 1 9 . 1 1 172 172 THR CA C 172 67.100 67.100 67.840 -0.740 25156 6772 1 9 . 1 1 172 172 THR CB C 172 68.600 68.600 68.801 -0.201 25156 6773 1 9 . 1 1 172 172 THR H H 172 8.977 8.977 8.681 0.296 25156 6774 1 9 . 1 1 173 173 LYS N N 173 119.978 119.978 121.267 -1.289 25156 6775 1 9 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.001 0.199 25156 6776 1 9 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.853 -0.353 25156 6777 1 9 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.481 -0.381 25156 6778 1 9 . 1 1 173 173 LYS H H 173 7.959 7.959 7.898 0.061 25156 6779 1 9 . 1 1 174 174 ASN N N 174 116.606 116.606 118.008 -1.402 25156 6780 1 9 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.444 0.006 25156 6781 1 9 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.861 1.639 25156 6782 1 9 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.129 1.871 25156 6783 1 9 . 1 1 174 174 ASN H H 174 7.640 7.640 7.742 -0.102 25156 6784 1 9 . 1 1 175 175 TYR N N 175 122.163 122.163 121.990 0.173 25156 6785 1 9 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.260 -0.230 25156 6786 1 9 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.812 -0.712 25156 6787 1 9 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.480 -0.480 25156 6788 1 9 . 1 1 175 175 TYR H H 175 9.079 9.079 8.584 0.495 25156 6789 1 9 . 1 1 176 176 CYS N N 176 116.655 116.655 117.419 -0.764 25156 6790 1 9 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.205 0.535 25156 6791 1 9 . 1 1 176 176 CYS CA C 176 58.800 58.800 62.254 -3.454 25156 6792 1 9 . 1 1 176 176 CYS CB C 176 39.300 39.300 26.041 13.259 25156 6793 1 9 . 1 1 176 176 CYS H H 176 8.799 8.799 8.357 0.442 25156 6794 1 9 . 1 1 177 177 ALA N N 177 120.661 120.661 121.092 -0.431 25156 6795 1 9 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.267 -0.187 25156 6796 1 9 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.457 0.043 25156 6797 1 9 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.456 0.344 25156 6798 1 9 . 1 1 177 177 ALA H H 177 7.337 7.337 7.732 -0.395 25156 6799 1 9 . 1 1 178 178 LEU N N 178 120.820 120.820 120.891 -0.071 25156 6800 1 9 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.938 -0.088 25156 6801 1 9 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.689 -0.189 25156 6802 1 9 . 1 1 178 178 LEU CB C 178 41.700 41.700 41.772 -0.071 25156 6803 1 9 . 1 1 178 178 LEU H H 178 8.075 8.075 7.040 1.035 25156 6804 1 9 . 1 1 179 179 GLU N N 179 117.503 117.503 118.034 -0.531 25156 6805 1 9 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.615 -0.105 25156 6806 1 9 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.552 -0.652 25156 6807 1 9 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.250 -1.850 25156 6808 1 9 . 1 1 179 179 GLU H H 179 8.066 8.066 7.342 0.724 25156 6809 1 9 . 1 1 180 180 LYS N N 180 118.823 118.823 118.311 0.512 25156 6810 1 9 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.213 0.057 25156 6811 1 9 . 1 1 180 180 LYS CA C 180 57.300 57.300 58.669 -1.369 25156 6812 1 9 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.361 -0.361 25156 6813 1 9 . 1 1 180 180 LYS H H 180 7.424 7.424 7.461 -0.037 25156 6814 1 9 . 1 1 181 181 LYS N N 181 118.403 118.403 117.407 0.996 25156 6815 1 9 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.093 -0.103 25156 6816 1 9 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.125 -0.225 25156 6817 1 9 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.260 -0.660 25156 6818 1 9 . 1 1 181 181 LYS H H 181 7.381 7.381 7.566 -0.185 25156 6819 1 9 . 1 1 182 182 LYS N N 182 116.472 116.472 117.663 -1.191 25156 6820 1 9 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.073 -0.043 25156 6821 1 9 . 1 1 182 182 LYS CA C 182 57.900 57.900 57.879 0.021 25156 6822 1 9 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.896 -0.196 25156 6823 1 9 . 1 1 182 182 LYS H H 182 7.374 7.374 7.430 -0.056 25156 6824 1 9 . 1 1 183 183 ASN N N 183 114.082 114.082 112.690 1.392 25156 6825 1 9 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.066 -0.016 25156 6826 1 9 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.842 -2.142 25156 6827 1 9 . 1 1 183 183 ASN CB C 183 39.100 39.100 40.449 -1.349 25156 6828 1 9 . 1 1 183 183 ASN H H 183 7.643 7.643 7.590 0.053 25156 6829 1 9 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.422 0.178 25156 6830 1 9 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.375 -0.275 25156 6831 1 9 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.944 -0.044 25156 6832 1 9 . 1 1 185 185 ASN N N 185 114.209 114.209 116.115 -1.906 25156 6833 1 9 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.620 0.200 25156 6834 1 9 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.613 -1.013 25156 6835 1 9 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.977 0.323 25156 6836 1 9 . 1 1 185 185 ASN H H 185 7.866 7.866 8.308 -0.442 25156 6837 1 9 . 1 1 186 186 PHE N N 186 122.429 122.429 123.246 -0.817 25156 6838 1 9 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.450 -0.100 25156 6839 1 9 . 1 1 186 186 PHE CA C 186 58.800 58.800 57.973 0.827 25156 6840 1 9 . 1 1 186 186 PHE CB C 186 39.600 39.600 38.461 1.139 25156 6841 1 9 . 1 1 186 186 PHE H H 186 8.035 8.035 7.441 0.594 25156 6842 1 9 . 1 1 187 187 THR N N 187 120.308 120.308 120.229 0.079 25156 6843 1 9 . 1 1 187 187 THR HA H 187 4.110 4.110 4.226 -0.116 25156 6844 1 9 . 1 1 187 187 THR CA C 187 59.700 59.700 61.311 -1.611 25156 6845 1 9 . 1 1 187 187 THR CB C 187 70.400 70.400 70.194 0.206 25156 6846 1 9 . 1 1 187 187 THR H H 187 7.687 7.687 7.527 0.160 25156 6847 1 9 . 1 1 188 188 ASP N N 188 122.010 122.010 121.744 0.266 25156 6848 1 9 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.643 -0.263 25156 6849 1 9 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.592 0.408 25156 6850 1 9 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.920 2.080 25156 6851 1 9 . 1 1 188 188 ASP H H 188 7.732 7.732 8.388 -0.656 25156 6852 1 9 . 1 1 189 189 GLU N N 189 127.772 127.772 125.103 2.669 25156 6853 1 9 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.034 -0.034 25156 6854 1 9 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.264 0.636 25156 6855 1 9 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.939 -1.040 25156 6856 1 9 . 1 1 189 189 GLU H H 189 9.002 9.002 8.618 0.384 25156 6857 1 9 . 1 1 190 190 LYS N N 190 117.753 117.753 118.468 -0.715 25156 6858 1 9 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.141 0.089 25156 6859 1 9 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.963 -0.363 25156 6860 1 9 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.811 -0.911 25156 6861 1 9 . 1 1 190 190 LYS H H 190 9.144 9.144 8.326 0.818 25156 6862 1 9 . 1 1 191 191 CYS N N 191 115.894 115.894 117.395 -1.501 25156 6863 1 9 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.666 0.304 25156 6864 1 9 . 1 1 191 191 CYS CA C 191 52.800 52.800 57.638 -4.838 25156 6865 1 9 . 1 1 191 191 CYS CB C 191 38.300 38.300 28.742 9.558 25156 6866 1 9 . 1 1 191 191 CYS H H 191 7.999 7.999 8.204 -0.205 25156 6867 1 9 . 1 1 192 192 LYS N N 192 121.894 121.894 123.498 -1.604 25156 6868 1 9 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.112 0.178 25156 6869 1 9 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.310 0.289 25156 6870 1 9 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.153 -0.553 25156 6871 1 9 . 1 1 192 192 LYS H H 192 7.718 7.718 8.317 -0.599 25156 6872 1 9 . 1 1 193 193 ASN N N 193 118.976 118.976 120.090 -1.114 25156 6873 1 9 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.557 0.233 25156 6874 1 9 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.071 -0.070 25156 6875 1 9 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.315 0.185 25156 6876 1 9 . 1 1 193 193 ASN H H 193 8.497 8.497 8.427 0.070 25156 6877 1 10 . 1 1 30 30 LEU N N 30 118.365 118.365 122.221 -3.856 25156 6878 1 10 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.626 -0.266 25156 6879 1 10 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.123 0.277 25156 6880 1 10 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.546 0.654 25156 6881 1 10 . 1 1 30 30 LEU H H 30 8.544 8.544 7.827 0.717 25156 6882 1 10 . 1 1 31 31 LYS N N 31 119.962 119.962 121.859 -1.897 25156 6883 1 10 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.541 0.119 25156 6884 1 10 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.563 -1.063 25156 6885 1 10 . 1 1 31 31 LYS CB C 31 35.700 35.700 34.702 0.998 25156 6886 1 10 . 1 1 31 31 LYS H H 31 9.499 9.499 8.448 1.051 25156 6887 1 10 . 1 1 32 32 GLY N N 32 107.471 107.471 111.860 -4.389 25156 6888 1 10 . 1 1 32 32 GLY CA C 32 45.900 45.900 45.466 0.434 25156 6889 1 10 . 1 1 32 32 GLY H H 32 8.548 8.548 8.425 0.123 25156 6890 1 10 . 1 1 33 33 GLU N N 33 124.823 124.823 123.192 1.631 25156 6891 1 10 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.093 -0.083 25156 6892 1 10 . 1 1 33 33 GLU CA C 33 58.400 58.400 59.089 -0.689 25156 6893 1 10 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.234 -0.434 25156 6894 1 10 . 1 1 33 33 GLU H H 33 9.049 9.049 8.860 0.189 25156 6895 1 10 . 1 1 34 34 THR N N 34 116.008 116.008 115.703 0.305 25156 6896 1 10 . 1 1 34 34 THR HA H 34 4.150 4.150 3.950 0.201 25156 6897 1 10 . 1 1 34 34 THR CA C 34 66.200 66.200 66.292 -0.092 25156 6898 1 10 . 1 1 34 34 THR CB C 34 68.500 68.500 68.365 0.135 25156 6899 1 10 . 1 1 34 34 THR H H 34 7.772 7.772 8.287 -0.515 25156 6900 1 10 . 1 1 35 35 LYS N N 35 119.081 119.081 120.811 -1.730 25156 6901 1 10 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.222 -0.572 25156 6902 1 10 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.055 0.345 25156 6903 1 10 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.761 -0.461 25156 6904 1 10 . 1 1 35 35 LYS H H 35 6.838 6.838 7.594 -0.756 25156 6905 1 10 . 1 1 36 36 ILE N N 36 116.476 116.476 115.936 0.540 25156 6906 1 10 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.145 -0.405 25156 6907 1 10 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.827 0.973 25156 6908 1 10 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.622 0.478 25156 6909 1 10 . 1 1 36 36 ILE H H 36 7.020 7.020 7.317 -0.297 25156 6910 1 10 . 1 1 37 37 ILE N N 37 119.272 119.272 122.641 -3.369 25156 6911 1 10 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.591 0.099 25156 6912 1 10 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.429 -0.929 25156 6913 1 10 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.081 1.319 25156 6914 1 10 . 1 1 37 37 ILE H H 37 8.507 8.507 8.969 -0.462 25156 6915 1 10 . 1 1 38 38 LEU N N 38 118.624 118.624 119.919 -1.295 25156 6916 1 10 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.028 0.242 25156 6917 1 10 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.042 -0.442 25156 6918 1 10 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.578 -1.478 25156 6919 1 10 . 1 1 38 38 LEU H H 38 8.363 8.363 7.865 0.498 25156 6920 1 10 . 1 1 39 39 GLU N N 39 118.123 118.123 119.211 -1.088 25156 6921 1 10 . 1 1 39 39 GLU HA H 39 4.000 4.000 3.981 0.019 25156 6922 1 10 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.635 0.265 25156 6923 1 10 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.445 -1.445 25156 6924 1 10 . 1 1 39 39 GLU H H 39 8.663 8.663 7.808 0.855 25156 6925 1 10 . 1 1 40 40 ARG N N 40 120.230 120.230 119.331 0.899 25156 6926 1 10 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.002 0.188 25156 6927 1 10 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.834 -1.334 25156 6928 1 10 . 1 1 40 40 ARG CB C 40 29.500 29.500 30.266 -0.766 25156 6929 1 10 . 1 1 40 40 ARG H H 40 7.977 7.977 8.734 -0.757 25156 6930 1 10 . 1 1 41 41 SER N N 41 114.690 114.690 115.321 -0.631 25156 6931 1 10 . 1 1 41 41 SER HA H 41 4.210 4.210 4.282 -0.072 25156 6932 1 10 . 1 1 41 41 SER CA C 41 61.900 61.900 62.090 -0.190 25156 6933 1 10 . 1 1 41 41 SER CB C 41 63.000 63.000 63.428 -0.428 25156 6934 1 10 . 1 1 41 41 SER H H 41 7.975 7.975 7.870 0.105 25156 6935 1 10 . 1 1 42 42 ALA N N 42 124.202 124.202 123.862 0.340 25156 6936 1 10 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.035 -0.365 25156 6937 1 10 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.936 -0.236 25156 6938 1 10 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.334 -1.134 25156 6939 1 10 . 1 1 42 42 ALA H H 42 8.578 8.578 7.978 0.600 25156 6940 1 10 . 1 1 43 43 LYS N N 43 121.324 121.324 118.960 2.364 25156 6941 1 10 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.983 0.077 25156 6942 1 10 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.053 -0.653 25156 6943 1 10 . 1 1 43 43 LYS CB C 43 31.300 31.300 31.914 -0.614 25156 6944 1 10 . 1 1 43 43 LYS H H 43 7.958 7.958 8.451 -0.493 25156 6945 1 10 . 1 1 44 44 ASP N N 44 118.176 118.176 120.020 -1.844 25156 6946 1 10 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.392 -0.002 25156 6947 1 10 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.421 -0.221 25156 6948 1 10 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.368 -1.069 25156 6949 1 10 . 1 1 44 44 ASP H H 44 8.111 8.111 7.880 0.231 25156 6950 1 10 . 1 1 45 45 ILE N N 45 117.643 117.643 120.621 -2.978 25156 6951 1 10 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.740 0.080 25156 6952 1 10 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.892 -0.192 25156 6953 1 10 . 1 1 45 45 ILE CB C 45 37.600 37.600 38.007 -0.407 25156 6954 1 10 . 1 1 45 45 ILE H H 45 7.417 7.417 7.470 -0.053 25156 6955 1 10 . 1 1 46 46 THR N N 46 116.310 116.310 115.684 0.626 25156 6956 1 10 . 1 1 46 46 THR HA H 46 4.160 4.160 3.944 0.216 25156 6957 1 10 . 1 1 46 46 THR CA C 46 66.200 66.200 66.723 -0.523 25156 6958 1 10 . 1 1 46 46 THR CB C 46 67.500 67.500 68.268 -0.768 25156 6959 1 10 . 1 1 46 46 THR H H 46 7.702 7.702 8.140 -0.438 25156 6960 1 10 . 1 1 47 47 ASP N N 47 121.550 121.550 121.264 0.286 25156 6961 1 10 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.481 -0.021 25156 6962 1 10 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.656 0.344 25156 6963 1 10 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.882 -1.482 25156 6964 1 10 . 1 1 47 47 ASP H H 47 9.154 9.154 8.265 0.889 25156 6965 1 10 . 1 1 48 48 GLU N N 48 122.105 122.105 119.435 2.670 25156 6966 1 10 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.043 0.227 25156 6967 1 10 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.304 -0.805 25156 6968 1 10 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.568 -0.568 25156 6969 1 10 . 1 1 48 48 GLU H H 48 7.812 7.812 8.290 -0.478 25156 6970 1 10 . 1 1 49 49 ILE N N 49 119.770 119.770 118.113 1.657 25156 6971 1 10 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.845 -0.265 25156 6972 1 10 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.559 2.141 25156 6973 1 10 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.663 0.237 25156 6974 1 10 . 1 1 49 49 ILE H H 49 8.655 8.655 7.502 1.153 25156 6975 1 10 . 1 1 50 50 ASN N N 50 118.094 118.094 118.976 -0.882 25156 6976 1 10 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.386 0.074 25156 6977 1 10 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.410 -0.510 25156 6978 1 10 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.271 -1.271 25156 6979 1 10 . 1 1 50 50 ASN H H 50 8.399 8.399 8.017 0.382 25156 6980 1 10 . 1 1 51 51 LYS N N 51 122.985 122.985 119.228 3.757 25156 6981 1 10 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.047 0.053 25156 6982 1 10 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.639 -0.140 25156 6983 1 10 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.273 -0.573 25156 6984 1 10 . 1 1 51 51 LYS H H 51 7.949 7.949 7.590 0.359 25156 6985 1 10 . 1 1 52 52 ILE N N 52 121.342 121.342 119.557 1.785 25156 6986 1 10 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.943 -0.153 25156 6987 1 10 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.556 2.244 25156 6988 1 10 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.983 1.517 25156 6989 1 10 . 1 1 52 52 ILE H H 52 8.584 8.584 7.405 1.179 25156 6990 1 10 . 1 1 53 53 LYS N N 53 118.268 118.268 120.018 -1.750 25156 6991 1 10 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.358 0.562 25156 6992 1 10 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.971 0.429 25156 6993 1 10 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.716 0.384 25156 6994 1 10 . 1 1 53 53 LYS H H 53 8.548 8.548 7.643 0.905 25156 6995 1 10 . 1 1 54 54 LYS N N 54 122.485 122.485 119.603 2.882 25156 6996 1 10 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.906 0.254 25156 6997 1 10 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.752 -0.852 25156 6998 1 10 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.334 -0.534 25156 6999 1 10 . 1 1 54 54 LYS H H 54 7.855 7.855 7.738 0.117 25156 7000 1 10 . 1 1 55 55 ASP N N 55 120.775 120.775 119.497 1.278 25156 7001 1 10 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.340 -0.000 25156 7002 1 10 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.670 -0.770 25156 7003 1 10 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.957 -1.057 25156 7004 1 10 . 1 1 55 55 ASP H H 55 8.813 8.813 8.082 0.731 25156 7005 1 10 . 1 1 56 56 ALA N N 56 123.205 123.205 121.435 1.770 25156 7006 1 10 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.131 -0.611 25156 7007 1 10 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.180 -0.080 25156 7008 1 10 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.550 -1.450 25156 7009 1 10 . 1 1 56 56 ALA H H 56 9.101 9.101 8.459 0.642 25156 7010 1 10 . 1 1 57 57 ALA N N 57 121.461 121.461 121.280 0.181 25156 7011 1 10 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.928 0.312 25156 7012 1 10 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.721 0.079 25156 7013 1 10 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.316 -1.016 25156 7014 1 10 . 1 1 57 57 ALA H H 57 7.770 7.770 8.113 -0.343 25156 7015 1 10 . 1 1 58 58 ASP N N 58 119.548 119.548 119.220 0.328 25156 7016 1 10 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.413 -0.023 25156 7017 1 10 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.540 -0.140 25156 7018 1 10 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.418 -0.618 25156 7019 1 10 . 1 1 58 58 ASP H H 58 8.443 8.443 8.451 -0.008 25156 7020 1 10 . 1 1 59 59 ASN N N 59 115.622 115.622 116.242 -0.620 25156 7021 1 10 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.531 0.119 25156 7022 1 10 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.995 0.005 25156 7023 1 10 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.847 0.353 25156 7024 1 10 . 1 1 59 59 ASN H H 59 7.500 7.500 7.782 -0.282 25156 7025 1 10 . 1 1 60 60 ASN N N 60 116.019 116.019 117.024 -1.005 25156 7026 1 10 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.313 0.017 25156 7027 1 10 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.159 0.141 25156 7028 1 10 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.923 -0.223 25156 7029 1 10 . 1 1 60 60 ASN H H 60 7.930 7.930 7.726 0.204 25156 7030 1 10 . 1 1 61 61 VAL N N 61 119.072 119.072 118.448 0.624 25156 7031 1 10 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.349 -0.389 25156 7032 1 10 . 1 1 61 61 VAL CA C 61 61.500 61.500 59.721 1.779 25156 7033 1 10 . 1 1 61 61 VAL CB C 61 32.600 32.600 35.922 -3.322 25156 7034 1 10 . 1 1 61 61 VAL H H 61 8.245 8.245 7.604 0.641 25156 7035 1 10 . 1 1 62 62 ASN N N 62 125.564 125.564 124.397 1.167 25156 7036 1 10 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.717 -0.077 25156 7037 1 10 . 1 1 62 62 ASN CA C 62 52.100 52.100 54.164 -2.064 25156 7038 1 10 . 1 1 62 62 ASN CB C 62 38.600 38.600 37.792 0.808 25156 7039 1 10 . 1 1 62 62 ASN H H 62 8.524 8.524 8.813 -0.289 25156 7040 1 10 . 1 1 63 63 PHE N N 63 125.711 125.711 125.280 0.431 25156 7041 1 10 . 1 1 63 63 PHE CA C 63 60.700 60.700 60.310 0.390 25156 7042 1 10 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.362 -1.062 25156 7043 1 10 . 1 1 63 63 PHE H H 63 8.904 8.904 8.318 0.586 25156 7044 1 10 . 1 1 64 64 ALA N N 64 121.816 121.816 122.700 -0.884 25156 7045 1 10 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.960 0.240 25156 7046 1 10 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.472 -0.672 25156 7047 1 10 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.904 -0.204 25156 7048 1 10 . 1 1 64 64 ALA H H 64 8.492 8.492 8.383 0.109 25156 7049 1 10 . 1 1 65 65 ALA N N 65 118.873 118.873 119.151 -0.278 25156 7050 1 10 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.142 0.038 25156 7051 1 10 . 1 1 65 65 ALA CA C 65 53.400 53.400 53.648 -0.248 25156 7052 1 10 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.203 0.297 25156 7053 1 10 . 1 1 65 65 ALA H H 65 7.984 7.984 7.806 0.178 25156 7054 1 10 . 1 1 66 66 PHE N N 66 115.587 115.587 115.875 -0.288 25156 7055 1 10 . 1 1 66 66 PHE HA H 66 4.060 4.060 3.984 0.076 25156 7056 1 10 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.102 0.598 25156 7057 1 10 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.576 -0.076 25156 7058 1 10 . 1 1 66 66 PHE H H 66 7.795 7.795 7.820 -0.025 25156 7059 1 10 . 1 1 67 67 THR N N 67 109.477 109.477 109.200 0.277 25156 7060 1 10 . 1 1 67 67 THR HA H 67 4.330 4.330 4.215 0.115 25156 7061 1 10 . 1 1 67 67 THR CA C 67 61.900 61.900 63.220 -1.320 25156 7062 1 10 . 1 1 67 67 THR CB C 67 69.000 69.000 70.423 -1.423 25156 7063 1 10 . 1 1 67 67 THR H H 67 7.563 7.563 7.583 -0.020 25156 7064 1 10 . 1 1 68 68 ASP N N 68 122.883 122.883 121.821 1.062 25156 7065 1 10 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.310 0.340 25156 7066 1 10 . 1 1 68 68 ASP CA C 68 54.600 54.600 54.921 -0.321 25156 7067 1 10 . 1 1 68 68 ASP CB C 68 40.900 40.900 40.281 0.619 25156 7068 1 10 . 1 1 68 68 ASP H H 68 7.969 7.969 7.859 0.110 25156 7069 1 10 . 1 1 69 69 SER N N 69 115.778 115.778 112.460 3.318 25156 7070 1 10 . 1 1 69 69 SER HA H 69 4.410 4.410 4.221 0.189 25156 7071 1 10 . 1 1 69 69 SER CA C 69 58.500 58.500 59.736 -1.236 25156 7072 1 10 . 1 1 69 69 SER CB C 69 63.400 63.400 63.659 -0.259 25156 7073 1 10 . 1 1 69 69 SER H H 69 8.277 8.277 7.830 0.447 25156 7074 1 10 . 1 1 70 70 GLU N N 70 122.040 122.040 121.848 0.192 25156 7075 1 10 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.171 0.189 25156 7076 1 10 . 1 1 70 70 GLU CA C 70 56.600 56.600 56.793 -0.193 25156 7077 1 10 . 1 1 70 70 GLU CB C 70 29.300 29.300 30.300 -1.000 25156 7078 1 10 . 1 1 70 70 GLU H H 70 8.464 8.464 8.203 0.261 25156 7079 1 10 . 1 1 71 71 THR N N 71 113.162 113.162 112.569 0.593 25156 7080 1 10 . 1 1 71 71 THR HA H 71 4.320 4.320 4.222 0.098 25156 7081 1 10 . 1 1 71 71 THR CA C 71 61.900 61.900 62.581 -0.681 25156 7082 1 10 . 1 1 71 71 THR CB C 71 69.200 69.200 69.628 -0.428 25156 7083 1 10 . 1 1 71 71 THR H H 71 8.060 8.060 8.221 -0.161 25156 7084 1 10 . 1 1 72 72 GLY N N 72 111.140 111.140 108.889 2.251 25156 7085 1 10 . 1 1 72 72 GLY CA C 72 45.200 45.200 44.364 0.836 25156 7086 1 10 . 1 1 72 72 GLY H H 72 8.412 8.412 8.219 0.193 25156 7087 1 10 . 1 1 73 73 SER N N 73 115.757 115.757 114.952 0.805 25156 7088 1 10 . 1 1 73 73 SER HA H 73 4.410 4.410 4.436 -0.026 25156 7089 1 10 . 1 1 73 73 SER CA C 73 58.400 58.400 58.211 0.189 25156 7090 1 10 . 1 1 73 73 SER CB C 73 63.400 63.400 64.197 -0.797 25156 7091 1 10 . 1 1 73 73 SER H H 73 8.237 8.237 8.265 -0.028 25156 7092 1 10 . 1 1 75 75 VAL N N 75 118.866 118.866 124.651 -5.785 25156 7093 1 10 . 1 1 75 75 VAL HA H 75 4.150 4.150 3.859 0.291 25156 7094 1 10 . 1 1 75 75 VAL CA C 75 61.900 61.900 64.000 -2.100 25156 7095 1 10 . 1 1 75 75 VAL CB C 75 32.600 32.600 32.404 0.196 25156 7096 1 10 . 1 1 75 75 VAL H H 75 7.997 7.997 8.888 -0.891 25156 7097 1 10 . 1 1 76 76 SER N N 76 117.059 117.059 111.893 5.166 25156 7098 1 10 . 1 1 76 76 SER HA H 76 4.280 4.280 4.095 0.185 25156 7099 1 10 . 1 1 76 76 SER CA C 76 58.600 58.600 58.632 -0.032 25156 7100 1 10 . 1 1 76 76 SER CB C 76 63.400 63.400 63.131 0.269 25156 7101 1 10 . 1 1 76 76 SER H H 76 8.183 8.183 8.476 -0.293 25156 7102 1 10 . 1 1 77 77 GLU N N 77 121.924 121.924 120.984 0.940 25156 7103 1 10 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.049 0.271 25156 7104 1 10 . 1 1 77 77 GLU CA C 77 55.900 55.900 58.093 -2.193 25156 7105 1 10 . 1 1 77 77 GLU CB C 77 29.700 29.700 30.094 -0.394 25156 7106 1 10 . 1 1 77 77 GLU H H 77 8.302 8.302 8.618 -0.316 25156 7107 1 10 . 1 1 78 78 ASN N N 78 120.401 120.401 118.056 2.345 25156 7108 1 10 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.730 0.030 25156 7109 1 10 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.617 -0.717 25156 7110 1 10 . 1 1 78 78 ASN CB C 78 39.100 39.100 38.900 0.200 25156 7111 1 10 . 1 1 78 78 ASN H H 78 8.308 8.308 8.219 0.089 25156 7112 1 10 . 1 1 79 79 SER CA C 79 58.300 58.300 60.651 -2.351 25156 7113 1 10 . 1 1 79 79 SER CB C 79 62.300 62.300 63.424 -1.124 25156 7114 1 10 . 1 1 80 80 PHE N N 80 121.812 121.812 123.946 -2.134 25156 7115 1 10 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.276 -0.056 25156 7116 1 10 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.044 0.156 25156 7117 1 10 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.510 -0.310 25156 7118 1 10 . 1 1 80 80 PHE H H 80 8.280 8.280 8.334 -0.054 25156 7119 1 10 . 1 1 81 81 ILE N N 81 119.199 119.199 118.903 0.296 25156 7120 1 10 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.753 0.477 25156 7121 1 10 . 1 1 81 81 ILE CA C 81 63.600 63.600 64.356 -0.756 25156 7122 1 10 . 1 1 81 81 ILE CB C 81 36.700 36.700 37.062 -0.362 25156 7123 1 10 . 1 1 81 81 ILE H H 81 7.483 7.483 7.303 0.180 25156 7124 1 10 . 1 1 82 82 LEU N N 82 117.108 117.108 119.220 -2.112 25156 7125 1 10 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.762 0.358 25156 7126 1 10 . 1 1 82 82 LEU CA C 82 57.600 57.600 58.614 -1.014 25156 7127 1 10 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.354 1.346 25156 7128 1 10 . 1 1 82 82 LEU H H 82 7.464 7.464 7.719 -0.255 25156 7129 1 10 . 1 1 83 83 GLU N N 83 117.300 117.300 119.183 -1.883 25156 7130 1 10 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.979 -0.309 25156 7131 1 10 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.292 -0.392 25156 7132 1 10 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.894 -0.794 25156 7133 1 10 . 1 1 83 83 GLU H H 83 8.093 8.093 8.603 -0.510 25156 7134 1 10 . 1 1 84 84 ALA N N 84 122.149 122.149 121.660 0.489 25156 7135 1 10 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.131 -0.281 25156 7136 1 10 . 1 1 84 84 ALA CA C 84 55.000 55.000 54.723 0.277 25156 7137 1 10 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.052 0.348 25156 7138 1 10 . 1 1 84 84 ALA H H 84 8.431 8.431 8.123 0.308 25156 7139 1 10 . 1 1 85 85 LYS N N 85 116.458 116.458 118.720 -2.262 25156 7140 1 10 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.896 0.064 25156 7141 1 10 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.170 1.530 25156 7142 1 10 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.236 -0.436 25156 7143 1 10 . 1 1 85 85 LYS H H 85 8.122 8.122 7.582 0.540 25156 7144 1 10 . 1 1 86 86 VAL N N 86 122.206 122.206 118.638 3.568 25156 7145 1 10 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.592 -0.252 25156 7146 1 10 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.597 1.003 25156 7147 1 10 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.588 -0.188 25156 7148 1 10 . 1 1 86 86 VAL H H 86 8.116 8.116 7.406 0.710 25156 7149 1 10 . 1 1 87 87 ARG N N 87 122.354 122.354 119.343 3.011 25156 7150 1 10 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.069 -0.039 25156 7151 1 10 . 1 1 87 87 ARG CA C 87 59.400 59.400 58.486 0.914 25156 7152 1 10 . 1 1 87 87 ARG CB C 87 30.800 30.800 28.882 1.918 25156 7153 1 10 . 1 1 87 87 ARG H H 87 8.768 8.768 7.421 1.347 25156 7154 1 10 . 1 1 88 88 ALA N N 88 119.659 119.659 120.555 -0.896 25156 7155 1 10 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.262 -0.362 25156 7156 1 10 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.684 0.116 25156 7157 1 10 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.344 -0.144 25156 7158 1 10 . 1 1 88 88 ALA H H 88 8.789 8.789 7.568 1.221 25156 7159 1 10 . 1 1 89 89 THR N N 89 105.646 105.646 114.608 -8.962 25156 7160 1 10 . 1 1 89 89 THR HA H 89 4.310 4.310 4.090 0.220 25156 7161 1 10 . 1 1 89 89 THR CA C 89 65.600 65.600 66.308 -0.708 25156 7162 1 10 . 1 1 89 89 THR CB C 89 67.900 67.900 68.663 -0.763 25156 7163 1 10 . 1 1 89 89 THR H H 89 8.063 8.063 7.705 0.358 25156 7164 1 10 . 1 1 90 90 THR N N 90 120.262 120.262 119.621 0.641 25156 7165 1 10 . 1 1 90 90 THR HA H 90 4.370 4.370 4.178 0.192 25156 7166 1 10 . 1 1 90 90 THR CA C 90 67.000 67.000 67.397 -0.397 25156 7167 1 10 . 1 1 90 90 THR CB C 90 68.200 68.200 68.536 -0.336 25156 7168 1 10 . 1 1 90 90 THR H H 90 8.021 8.021 8.357 -0.336 25156 7169 1 10 . 1 1 91 91 VAL N N 91 119.100 119.100 120.799 -1.699 25156 7170 1 10 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.826 0.194 25156 7171 1 10 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.430 -0.130 25156 7172 1 10 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.492 -0.592 25156 7173 1 10 . 1 1 91 91 VAL H H 91 7.653 7.653 7.569 0.084 25156 7174 1 10 . 1 1 92 92 ALA N N 92 124.800 124.800 121.246 3.554 25156 7175 1 10 . 1 1 92 92 ALA HA H 92 4.300 4.300 3.987 0.313 25156 7176 1 10 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.049 -0.449 25156 7177 1 10 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.002 1.498 25156 7178 1 10 . 1 1 92 92 ALA H H 92 8.189 8.189 7.584 0.605 25156 7179 1 10 . 1 1 93 93 GLU N N 93 120.300 120.300 117.854 2.446 25156 7180 1 10 . 1 1 93 93 GLU HA H 93 3.780 3.780 4.081 -0.301 25156 7181 1 10 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.418 0.782 25156 7182 1 10 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.603 -0.903 25156 7183 1 10 . 1 1 93 93 GLU H H 93 8.710 8.710 8.151 0.559 25156 7184 1 10 . 1 1 94 94 LYS N N 94 119.247 119.247 119.676 -0.429 25156 7185 1 10 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.041 0.059 25156 7186 1 10 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.292 0.208 25156 7187 1 10 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.250 -0.750 25156 7188 1 10 . 1 1 94 94 LYS H H 94 7.575 7.575 7.710 -0.135 25156 7189 1 10 . 1 1 95 95 PHE N N 95 121.711 121.711 120.909 0.802 25156 7190 1 10 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.152 0.458 25156 7191 1 10 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.760 -2.060 25156 7192 1 10 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.106 -0.106 25156 7193 1 10 . 1 1 95 95 PHE H H 95 7.467 7.467 7.763 -0.296 25156 7194 1 10 . 1 1 96 96 VAL N N 96 119.674 119.674 119.011 0.663 25156 7195 1 10 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.654 -0.524 25156 7196 1 10 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.612 0.288 25156 7197 1 10 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.104 -0.104 25156 7198 1 10 . 1 1 96 96 VAL H H 96 8.186 8.186 7.719 0.467 25156 7199 1 10 . 1 1 97 97 THR N N 97 117.086 117.086 115.920 1.166 25156 7200 1 10 . 1 1 97 97 THR HA H 97 4.300 4.300 3.965 0.335 25156 7201 1 10 . 1 1 97 97 THR CA C 97 65.600 65.600 66.806 -1.206 25156 7202 1 10 . 1 1 97 97 THR CB C 97 68.300 68.300 68.761 -0.461 25156 7203 1 10 . 1 1 97 97 THR H H 97 8.470 8.470 8.451 0.019 25156 7204 1 10 . 1 1 98 98 ALA N N 98 126.429 126.429 124.546 1.883 25156 7205 1 10 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.025 0.145 25156 7206 1 10 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.980 0.120 25156 7207 1 10 . 1 1 98 98 ALA CB C 98 16.700 16.700 18.034 -1.334 25156 7208 1 10 . 1 1 98 98 ALA H H 98 7.842 7.842 8.549 -0.707 25156 7209 1 10 . 1 1 99 99 ILE N N 99 121.241 121.241 118.316 2.925 25156 7210 1 10 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.507 -0.027 25156 7211 1 10 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.443 -1.443 25156 7212 1 10 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.812 -2.612 25156 7213 1 10 . 1 1 99 99 ILE H H 99 7.937 7.937 8.112 -0.175 25156 7214 1 10 . 1 1 100 100 GLU N N 100 118.069 118.069 118.874 -0.805 25156 7215 1 10 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.940 -0.220 25156 7216 1 10 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.978 0.022 25156 7217 1 10 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.288 0.012 25156 7218 1 10 . 1 1 100 100 GLU H H 100 8.458 8.458 7.850 0.608 25156 7219 1 10 . 1 1 101 101 GLY N N 101 107.210 107.210 105.653 1.557 25156 7220 1 10 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.287 1.613 25156 7221 1 10 . 1 1 101 101 GLY H H 101 8.411 8.411 7.525 0.886 25156 7222 1 10 . 1 1 102 102 GLU N N 102 121.134 121.134 122.246 -1.112 25156 7223 1 10 . 1 1 102 102 GLU HA H 102 4.180 4.180 4.111 0.069 25156 7224 1 10 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.240 -0.441 25156 7225 1 10 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.590 -0.889 25156 7226 1 10 . 1 1 102 102 GLU H H 102 8.344 8.344 8.589 -0.245 25156 7227 1 10 . 1 1 103 103 ALA N N 103 121.862 121.862 121.079 0.783 25156 7228 1 10 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.962 0.088 25156 7229 1 10 . 1 1 103 103 ALA CA C 103 56.000 56.000 55.426 0.574 25156 7230 1 10 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.333 -1.833 25156 7231 1 10 . 1 1 103 103 ALA H H 103 9.325 9.325 7.553 1.772 25156 7232 1 10 . 1 1 104 104 THR N N 104 110.782 110.782 111.639 -0.857 25156 7233 1 10 . 1 1 104 104 THR HA H 104 4.330 4.330 3.866 0.464 25156 7234 1 10 . 1 1 104 104 THR CA C 104 67.000 67.000 64.900 2.100 25156 7235 1 10 . 1 1 104 104 THR CB C 104 68.100 68.100 67.355 0.745 25156 7236 1 10 . 1 1 104 104 THR H H 104 7.796 7.796 7.737 0.059 25156 7237 1 10 . 1 1 105 105 LYS N N 105 123.041 123.041 120.869 2.172 25156 7238 1 10 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.395 -0.345 25156 7239 1 10 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.163 3.038 25156 7240 1 10 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.445 -1.245 25156 7241 1 10 . 1 1 105 105 LYS H H 105 7.728 7.728 7.961 -0.233 25156 7242 1 10 . 1 1 106 106 LEU N N 106 117.015 117.015 117.578 -0.563 25156 7243 1 10 . 1 1 106 106 LEU HA H 106 4.510 4.510 5.022 -0.512 25156 7244 1 10 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.386 -1.186 25156 7245 1 10 . 1 1 106 106 LEU CB C 106 42.300 42.300 43.123 -0.823 25156 7246 1 10 . 1 1 106 106 LEU H H 106 7.768 7.768 7.997 -0.229 25156 7247 1 10 . 1 1 107 107 LYS N N 107 122.173 122.173 120.819 1.354 25156 7248 1 10 . 1 1 107 107 LYS HA H 107 3.920 3.920 4.068 -0.148 25156 7249 1 10 . 1 1 107 107 LYS CA C 107 60.900 60.900 58.941 1.960 25156 7250 1 10 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.002 0.498 25156 7251 1 10 . 1 1 107 107 LYS H H 107 7.452 7.452 8.449 -0.997 25156 7252 1 10 . 1 1 108 108 LYS N N 108 114.243 114.243 116.530 -2.287 25156 7253 1 10 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.390 0.210 25156 7254 1 10 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.833 -1.033 25156 7255 1 10 . 1 1 108 108 LYS CB C 108 32.800 32.800 33.016 -0.216 25156 7256 1 10 . 1 1 108 108 LYS H H 108 8.735 8.735 7.646 1.089 25156 7257 1 10 . 1 1 109 109 THR N N 109 106.918 106.918 108.490 -1.572 25156 7258 1 10 . 1 1 109 109 THR HA H 109 4.410 4.410 4.300 0.110 25156 7259 1 10 . 1 1 109 109 THR CA C 109 61.500 61.500 63.189 -1.689 25156 7260 1 10 . 1 1 109 109 THR CB C 109 69.700 69.700 69.226 0.474 25156 7261 1 10 . 1 1 109 109 THR H H 109 7.530 7.530 7.810 -0.280 25156 7262 1 10 . 1 1 110 110 GLY N N 110 111.753 111.753 111.648 0.105 25156 7263 1 10 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.572 -1.372 25156 7264 1 10 . 1 1 110 110 GLY H H 110 9.066 9.066 8.343 0.723 25156 7265 1 10 . 1 1 111 111 SER N N 111 118.638 118.638 118.429 0.209 25156 7266 1 10 . 1 1 111 111 SER HA H 111 4.930 4.930 4.605 0.325 25156 7267 1 10 . 1 1 111 111 SER CA C 111 56.600 56.600 57.747 -1.147 25156 7268 1 10 . 1 1 111 111 SER CB C 111 66.400 66.400 65.679 0.721 25156 7269 1 10 . 1 1 111 111 SER H H 111 8.709 8.709 8.038 0.671 25156 7270 1 10 . 1 1 112 112 SER N N 112 116.928 116.928 115.706 1.222 25156 7271 1 10 . 1 1 112 112 SER CA C 112 61.200 61.200 60.300 0.900 25156 7272 1 10 . 1 1 112 112 SER CB C 112 62.500 62.500 62.821 -0.321 25156 7273 1 10 . 1 1 112 112 SER H H 112 9.082 9.082 8.622 0.460 25156 7274 1 10 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.244 0.056 25156 7275 1 10 . 1 1 114 114 GLU N N 114 122.746 122.746 123.102 -0.356 25156 7276 1 10 . 1 1 114 114 GLU HA H 114 3.750 3.750 3.900 -0.150 25156 7277 1 10 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.555 -0.555 25156 7278 1 10 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.313 -0.413 25156 7279 1 10 . 1 1 114 114 GLU H H 114 7.628 7.628 7.616 0.012 25156 7280 1 10 . 1 1 115 115 PHE N N 115 118.328 118.328 115.018 3.310 25156 7281 1 10 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.420 -0.000 25156 7282 1 10 . 1 1 115 115 PHE CA C 115 61.500 61.500 59.323 2.177 25156 7283 1 10 . 1 1 115 115 PHE CB C 115 36.900 36.900 37.842 -0.942 25156 7284 1 10 . 1 1 115 115 PHE H H 115 7.102 7.102 7.171 -0.069 25156 7285 1 10 . 1 1 116 116 SER N N 116 115.349 115.349 117.901 -2.552 25156 7286 1 10 . 1 1 116 116 SER HA H 116 4.510 4.510 4.433 0.077 25156 7287 1 10 . 1 1 116 116 SER CA C 116 61.700 61.700 60.785 0.915 25156 7288 1 10 . 1 1 116 116 SER CB C 116 62.800 62.800 63.251 -0.451 25156 7289 1 10 . 1 1 116 116 SER H H 116 8.940 8.940 6.704 2.236 25156 7290 1 10 . 1 1 117 117 ALA N N 117 122.730 122.730 123.041 -0.311 25156 7291 1 10 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.234 0.036 25156 7292 1 10 . 1 1 117 117 ALA CA C 117 54.800 54.800 53.630 1.171 25156 7293 1 10 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.657 -1.257 25156 7294 1 10 . 1 1 117 117 ALA H H 117 7.501 7.501 8.420 -0.919 25156 7295 1 10 . 1 1 118 118 MET N N 118 118.754 118.754 120.417 -1.663 25156 7296 1 10 . 1 1 118 118 MET HA H 118 3.950 3.950 4.170 -0.220 25156 7297 1 10 . 1 1 118 118 MET CA C 118 60.300 60.300 59.140 1.160 25156 7298 1 10 . 1 1 118 118 MET CB C 118 31.500 31.500 32.627 -1.127 25156 7299 1 10 . 1 1 118 118 MET H H 118 7.812 7.812 7.708 0.103 25156 7300 1 10 . 1 1 119 119 TYR N N 119 119.385 119.385 119.111 0.274 25156 7301 1 10 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.178 0.172 25156 7302 1 10 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.575 -0.275 25156 7303 1 10 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.406 -1.206 25156 7304 1 10 . 1 1 119 119 TYR H H 119 8.213 8.213 7.834 0.379 25156 7305 1 10 . 1 1 120 120 ASN N N 120 116.665 116.665 117.593 -0.928 25156 7306 1 10 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.232 -0.082 25156 7307 1 10 . 1 1 120 120 ASN CA C 120 56.200 56.200 56.178 0.022 25156 7308 1 10 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.448 -0.948 25156 7309 1 10 . 1 1 120 120 ASN H H 120 8.592 8.592 7.928 0.664 25156 7310 1 10 . 1 1 121 121 MET N N 121 118.788 118.788 119.806 -1.018 25156 7311 1 10 . 1 1 121 121 MET HA H 121 4.250 4.250 4.138 0.112 25156 7312 1 10 . 1 1 121 121 MET CA C 121 59.500 59.500 57.802 1.698 25156 7313 1 10 . 1 1 121 121 MET CB C 121 33.800 33.800 32.261 1.539 25156 7314 1 10 . 1 1 121 121 MET H H 121 7.900 7.900 7.625 0.275 25156 7315 1 10 . 1 1 122 122 MET N N 122 118.670 118.670 118.617 0.053 25156 7316 1 10 . 1 1 122 122 MET HA H 122 3.950 3.950 3.929 0.021 25156 7317 1 10 . 1 1 122 122 MET CA C 122 60.300 60.300 58.764 1.536 25156 7318 1 10 . 1 1 122 122 MET CB C 122 33.400 33.400 32.436 0.964 25156 7319 1 10 . 1 1 122 122 MET H H 122 7.813 7.813 7.726 0.087 25156 7320 1 10 . 1 1 123 123 LEU N N 123 118.865 118.865 117.156 1.709 25156 7321 1 10 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.989 -0.079 25156 7322 1 10 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.328 0.172 25156 7323 1 10 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.912 -0.412 25156 7324 1 10 . 1 1 123 123 LEU H H 123 7.941 7.941 7.128 0.813 25156 7325 1 10 . 1 1 124 124 GLU N N 124 121.088 121.088 119.189 1.899 25156 7326 1 10 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.045 -0.095 25156 7327 1 10 . 1 1 124 124 GLU CA C 124 59.300 59.300 58.736 0.564 25156 7328 1 10 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.713 -0.713 25156 7329 1 10 . 1 1 124 124 GLU H H 124 8.398 8.398 8.313 0.085 25156 7330 1 10 . 1 1 125 125 VAL N N 125 112.092 112.092 119.303 -7.211 25156 7331 1 10 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.761 0.239 25156 7332 1 10 . 1 1 125 125 VAL CA C 125 63.100 63.100 63.517 -0.416 25156 7333 1 10 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.575 0.625 25156 7334 1 10 . 1 1 125 125 VAL H H 125 7.682 7.682 8.537 -0.855 25156 7335 1 10 . 1 1 126 126 SER N N 126 116.396 116.396 116.232 0.164 25156 7336 1 10 . 1 1 126 126 SER CA C 126 63.300 63.300 61.345 1.955 25156 7337 1 10 . 1 1 126 126 SER CB C 126 62.800 62.800 62.531 0.269 25156 7338 1 10 . 1 1 126 126 SER H H 126 7.410 7.410 7.226 0.184 25156 7339 1 10 . 1 1 127 127 GLY N N 127 107.199 107.199 110.247 -3.048 25156 7340 1 10 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.353 0.747 25156 7341 1 10 . 1 1 127 127 GLY H H 127 7.321 7.321 8.087 -0.766 25156 7342 1 10 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.124 0.186 25156 7343 1 10 . 1 1 128 128 PRO CA C 128 64.800 64.800 66.005 -1.205 25156 7344 1 10 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.491 0.509 25156 7345 1 10 . 1 1 129 129 LEU N N 129 113.172 113.172 116.231 -3.059 25156 7346 1 10 . 1 1 129 129 LEU HA H 129 3.900 3.900 4.072 -0.172 25156 7347 1 10 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.908 -0.508 25156 7348 1 10 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.457 -0.457 25156 7349 1 10 . 1 1 129 129 LEU H H 129 6.913 6.913 7.572 -0.659 25156 7350 1 10 . 1 1 130 130 GLU N N 130 121.331 121.331 119.600 1.731 25156 7351 1 10 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.013 0.107 25156 7352 1 10 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.077 0.223 25156 7353 1 10 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.289 -0.789 25156 7354 1 10 . 1 1 130 130 GLU H H 130 8.203 8.203 8.302 -0.099 25156 7355 1 10 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.125 -0.155 25156 7356 1 10 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.947 -0.447 25156 7357 1 10 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.410 -0.210 25156 7358 1 10 . 1 1 132 132 LEU N N 132 115.804 115.804 119.540 -3.736 25156 7359 1 10 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.519 -0.609 25156 7360 1 10 . 1 1 132 132 LEU CA C 132 53.100 53.100 54.281 -1.181 25156 7361 1 10 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.289 -1.089 25156 7362 1 10 . 1 1 132 132 LEU H H 132 6.977 6.977 7.374 -0.397 25156 7363 1 10 . 1 1 133 133 GLY N N 133 105.653 105.653 107.586 -1.933 25156 7364 1 10 . 1 1 133 133 GLY CA C 133 45.100 45.100 45.231 -0.131 25156 7365 1 10 . 1 1 133 133 GLY H H 133 7.484 7.484 7.587 -0.103 25156 7366 1 10 . 1 1 134 134 VAL CA C 134 62.900 62.900 60.313 2.587 25156 7367 1 10 . 1 1 134 134 VAL CB C 134 31.800 31.800 35.464 -3.663 25156 7368 1 10 . 1 1 137 137 MET CA C 137 58.100 58.100 57.686 0.414 25156 7369 1 10 . 1 1 138 138 THR N N 138 115.359 115.359 116.193 -0.834 25156 7370 1 10 . 1 1 138 138 THR CA C 138 67.100 67.100 66.042 1.058 25156 7371 1 10 . 1 1 138 138 THR H H 138 9.225 9.225 8.304 0.921 25156 7372 1 10 . 1 1 139 139 LYS N N 139 123.109 123.109 121.611 1.498 25156 7373 1 10 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.005 0.196 25156 7374 1 10 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.852 -1.952 25156 7375 1 10 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.274 -0.674 25156 7376 1 10 . 1 1 139 139 LYS H H 139 8.172 8.172 7.661 0.511 25156 7377 1 10 . 1 1 140 140 THR N N 140 115.472 115.472 116.714 -1.242 25156 7378 1 10 . 1 1 140 140 THR HA H 140 4.000 4.000 4.010 -0.010 25156 7379 1 10 . 1 1 140 140 THR CA C 140 67.000 67.000 66.511 0.489 25156 7380 1 10 . 1 1 140 140 THR CB C 140 68.200 68.200 68.744 -0.544 25156 7381 1 10 . 1 1 140 140 THR H H 140 8.063 8.063 8.511 -0.448 25156 7382 1 10 . 1 1 141 141 VAL N N 141 121.319 121.319 120.561 0.758 25156 7383 1 10 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.778 -0.148 25156 7384 1 10 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.215 0.985 25156 7385 1 10 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.072 0.428 25156 7386 1 10 . 1 1 141 141 VAL H H 141 7.753 7.753 7.731 0.022 25156 7387 1 10 . 1 1 142 142 THR N N 142 114.753 114.753 117.090 -2.337 25156 7388 1 10 . 1 1 142 142 THR HA H 142 4.380 4.380 4.227 0.153 25156 7389 1 10 . 1 1 142 142 THR CA C 142 65.900 65.900 67.029 -1.129 25156 7390 1 10 . 1 1 142 142 THR CB C 142 67.800 67.800 68.590 -0.790 25156 7391 1 10 . 1 1 142 142 THR H H 142 8.965 8.965 8.365 0.600 25156 7392 1 10 . 1 1 143 143 ASP N N 143 123.699 123.699 121.774 1.925 25156 7393 1 10 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.307 0.103 25156 7394 1 10 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.254 -0.454 25156 7395 1 10 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.715 -1.714 25156 7396 1 10 . 1 1 143 143 ASP H H 143 9.254 9.254 8.487 0.767 25156 7397 1 10 . 1 1 144 144 ALA N N 144 122.856 122.856 122.866 -0.010 25156 7398 1 10 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.054 0.286 25156 7399 1 10 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.830 -0.130 25156 7400 1 10 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.487 0.713 25156 7401 1 10 . 1 1 144 144 ALA H H 144 7.668 7.668 7.609 0.059 25156 7402 1 10 . 1 1 145 145 ALA N N 145 119.307 119.307 119.602 -0.295 25156 7403 1 10 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.222 0.318 25156 7404 1 10 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.352 -1.652 25156 7405 1 10 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.324 -0.124 25156 7406 1 10 . 1 1 145 145 ALA H H 145 7.718 7.718 7.871 -0.153 25156 7407 1 10 . 1 1 146 146 GLU N N 146 115.837 115.837 118.036 -2.199 25156 7408 1 10 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.033 0.157 25156 7409 1 10 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.813 -1.513 25156 7410 1 10 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.558 -0.458 25156 7411 1 10 . 1 1 146 146 GLU H H 146 7.491 7.491 7.893 -0.402 25156 7412 1 10 . 1 1 147 147 GLN N N 147 115.066 115.066 117.209 -2.143 25156 7413 1 10 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.198 0.002 25156 7414 1 10 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.782 -1.482 25156 7415 1 10 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.313 0.787 25156 7416 1 10 . 1 1 147 147 GLN H H 147 7.248 7.248 7.890 -0.642 25156 7417 1 10 . 1 1 148 148 HIS N N 148 119.398 119.398 118.829 0.569 25156 7418 1 10 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.761 0.238 25156 7419 1 10 . 1 1 148 148 HIS CA C 148 52.500 52.500 53.762 -1.262 25156 7420 1 10 . 1 1 148 148 HIS CB C 148 31.600 31.600 28.966 2.634 25156 7421 1 10 . 1 1 148 148 HIS H H 148 7.747 7.747 7.785 -0.038 25156 7422 1 10 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.401 0.069 25156 7423 1 10 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.328 -1.028 25156 7424 1 10 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.417 -0.117 25156 7425 1 10 . 1 1 150 150 THR N N 150 108.042 108.042 119.501 -11.459 25156 7426 1 10 . 1 1 150 150 THR HA H 150 4.040 4.040 4.077 -0.037 25156 7427 1 10 . 1 1 150 150 THR CA C 150 60.700 60.700 63.464 -2.764 25156 7428 1 10 . 1 1 150 150 THR CB C 150 68.400 68.400 67.195 1.205 25156 7429 1 10 . 1 1 150 150 THR H H 150 7.864 7.864 8.614 -0.750 25156 7430 1 10 . 1 1 151 151 THR N N 151 134.400 134.400 117.599 16.801 25156 7431 1 10 . 1 1 151 151 THR HA H 151 4.550 4.550 3.739 0.811 25156 7432 1 10 . 1 1 151 151 THR CA C 151 60.400 60.400 62.771 -2.371 25156 7433 1 10 . 1 1 151 151 THR CB C 151 68.900 68.900 67.287 1.613 25156 7434 1 10 . 1 1 151 151 THR H H 151 6.900 6.900 8.521 -1.621 25156 7435 1 10 . 1 1 152 152 THR N N 152 108.396 108.396 113.604 -5.208 25156 7436 1 10 . 1 1 152 152 THR HA H 152 4.290 4.290 4.670 -0.380 25156 7437 1 10 . 1 1 152 152 THR CA C 152 57.700 57.700 59.978 -2.278 25156 7438 1 10 . 1 1 152 152 THR CB C 152 71.500 71.500 71.391 0.109 25156 7439 1 10 . 1 1 152 152 THR H H 152 7.104 7.104 7.802 -0.698 25156 7440 1 10 . 1 1 153 153 ALA N N 153 122.816 122.816 122.978 -0.162 25156 7441 1 10 . 1 1 153 153 ALA HA H 153 3.030 3.030 3.425 -0.395 25156 7442 1 10 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.727 -1.027 25156 7443 1 10 . 1 1 153 153 ALA CB C 153 18.800 18.800 17.710 1.090 25156 7444 1 10 . 1 1 153 153 ALA H H 153 7.580 7.580 8.353 -0.773 25156 7445 1 10 . 1 1 154 154 GLU N N 154 113.788 113.788 117.518 -3.730 25156 7446 1 10 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.145 -0.405 25156 7447 1 10 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.346 1.454 25156 7448 1 10 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.262 -0.962 25156 7449 1 10 . 1 1 154 154 GLU H H 154 8.544 8.544 8.534 0.010 25156 7450 1 10 . 1 1 155 155 GLY N N 155 108.136 108.136 109.234 -1.098 25156 7451 1 10 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.035 -0.135 25156 7452 1 10 . 1 1 155 155 GLY H H 155 7.973 7.973 7.535 0.439 25156 7453 1 10 . 1 1 156 156 ILE N N 156 119.992 119.992 122.414 -2.422 25156 7454 1 10 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.694 0.006 25156 7455 1 10 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.218 -3.818 25156 7456 1 10 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.318 -2.618 25156 7457 1 10 . 1 1 156 156 ILE H H 156 7.688 7.688 8.664 -0.976 25156 7458 1 10 . 1 1 157 157 LEU N N 157 118.638 118.638 118.670 -0.032 25156 7459 1 10 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.905 -0.015 25156 7460 1 10 . 1 1 157 157 LEU CA C 157 58.100 58.100 57.669 0.431 25156 7461 1 10 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.296 -0.596 25156 7462 1 10 . 1 1 157 157 LEU H H 157 8.535 8.535 7.372 1.163 25156 7463 1 10 . 1 1 158 158 GLU N N 158 119.400 119.400 119.258 0.142 25156 7464 1 10 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.036 -0.076 25156 7465 1 10 . 1 1 158 158 GLU CA C 158 58.200 58.200 58.988 -0.788 25156 7466 1 10 . 1 1 158 158 GLU CB C 158 27.100 27.100 30.006 -2.906 25156 7467 1 10 . 1 1 158 158 GLU H H 158 7.606 7.606 7.514 0.092 25156 7468 1 10 . 1 1 159 159 ILE N N 159 122.226 122.226 120.306 1.920 25156 7469 1 10 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.623 -0.153 25156 7470 1 10 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.440 1.560 25156 7471 1 10 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.689 0.811 25156 7472 1 10 . 1 1 159 159 ILE H H 159 8.285 8.285 8.549 -0.264 25156 7473 1 10 . 1 1 160 160 ALA N N 160 121.722 121.722 122.527 -0.805 25156 7474 1 10 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.999 -0.099 25156 7475 1 10 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.941 0.059 25156 7476 1 10 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.920 -0.020 25156 7477 1 10 . 1 1 160 160 ALA H H 160 9.171 9.171 8.041 1.130 25156 7478 1 10 . 1 1 161 161 LYS N N 161 117.720 117.720 118.632 -0.912 25156 7479 1 10 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.977 -0.107 25156 7480 1 10 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.365 0.135 25156 7481 1 10 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.236 -0.636 25156 7482 1 10 . 1 1 161 161 LYS H H 161 7.661 7.661 7.539 0.122 25156 7483 1 10 . 1 1 162 162 ILE N N 162 122.241 122.241 119.445 2.796 25156 7484 1 10 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.772 -0.062 25156 7485 1 10 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.482 0.618 25156 7486 1 10 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.014 0.086 25156 7487 1 10 . 1 1 162 162 ILE H H 162 7.587 7.587 7.490 0.097 25156 7488 1 10 . 1 1 163 163 MET N N 163 120.758 120.758 118.928 1.830 25156 7489 1 10 . 1 1 163 163 MET HA H 163 3.790 3.790 3.996 -0.206 25156 7490 1 10 . 1 1 163 163 MET CA C 163 60.200 60.200 59.402 0.798 25156 7491 1 10 . 1 1 163 163 MET CB C 163 32.200 32.200 32.350 -0.150 25156 7492 1 10 . 1 1 163 163 MET H H 163 8.581 8.581 7.534 1.047 25156 7493 1 10 . 1 1 164 164 LYS N N 164 118.723 118.723 119.043 -0.320 25156 7494 1 10 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.885 -0.135 25156 7495 1 10 . 1 1 164 164 LYS CA C 164 60.300 60.300 60.493 -0.193 25156 7496 1 10 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.216 -0.416 25156 7497 1 10 . 1 1 164 164 LYS H H 164 9.221 9.221 8.110 1.111 25156 7498 1 10 . 1 1 165 165 THR N N 165 115.639 115.639 115.441 0.198 25156 7499 1 10 . 1 1 165 165 THR HA H 165 4.270 4.270 4.028 0.242 25156 7500 1 10 . 1 1 165 165 THR CA C 165 66.400 66.400 66.826 -0.425 25156 7501 1 10 . 1 1 165 165 THR CB C 165 68.200 68.200 68.461 -0.261 25156 7502 1 10 . 1 1 165 165 THR H H 165 8.336 8.336 7.461 0.875 25156 7503 1 10 . 1 1 166 166 LYS N N 166 121.525 121.525 122.317 -0.792 25156 7504 1 10 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.145 0.025 25156 7505 1 10 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.175 -0.374 25156 7506 1 10 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.289 -1.689 25156 7507 1 10 . 1 1 166 166 LYS H H 166 7.357 7.357 7.484 -0.127 25156 7508 1 10 . 1 1 167 167 LEU N N 167 117.600 117.600 120.977 -3.377 25156 7509 1 10 . 1 1 167 167 LEU HA H 167 3.890 3.890 3.998 -0.108 25156 7510 1 10 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.313 -0.213 25156 7511 1 10 . 1 1 167 167 LEU CB C 167 42.000 42.000 42.126 -0.126 25156 7512 1 10 . 1 1 167 167 LEU H H 167 8.090 8.090 8.354 -0.264 25156 7513 1 10 . 1 1 168 168 GLN N N 168 117.484 117.484 116.841 0.643 25156 7514 1 10 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.356 -0.246 25156 7515 1 10 . 1 1 168 168 GLN CA C 168 58.300 58.300 57.919 0.382 25156 7516 1 10 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.639 -1.039 25156 7517 1 10 . 1 1 168 168 GLN H H 168 8.793 8.793 8.148 0.645 25156 7518 1 10 . 1 1 169 169 ARG N N 169 121.344 121.344 121.961 -0.617 25156 7519 1 10 . 1 1 169 169 ARG HA H 169 4.230 4.230 3.994 0.236 25156 7520 1 10 . 1 1 169 169 ARG CA C 169 59.400 59.400 60.209 -0.809 25156 7521 1 10 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.372 -1.272 25156 7522 1 10 . 1 1 169 169 ARG H H 169 8.051 8.051 8.313 -0.262 25156 7523 1 10 . 1 1 170 170 VAL N N 170 120.397 120.397 114.732 5.665 25156 7524 1 10 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.710 0.050 25156 7525 1 10 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.428 -0.128 25156 7526 1 10 . 1 1 170 170 VAL CB C 170 31.600 31.600 30.623 0.977 25156 7527 1 10 . 1 1 170 170 VAL H H 170 7.911 7.911 7.653 0.258 25156 7528 1 10 . 1 1 171 171 HIS N N 171 122.970 122.970 119.928 3.042 25156 7529 1 10 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.453 -0.443 25156 7530 1 10 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.323 -0.023 25156 7531 1 10 . 1 1 171 171 HIS CB C 171 29.600 29.600 29.697 -0.097 25156 7532 1 10 . 1 1 171 171 HIS H H 171 9.281 9.281 7.862 1.419 25156 7533 1 10 . 1 1 172 172 THR N N 172 115.729 115.729 117.021 -1.292 25156 7534 1 10 . 1 1 172 172 THR HA H 172 4.360 4.360 4.068 0.292 25156 7535 1 10 . 1 1 172 172 THR CA C 172 67.100 67.100 67.402 -0.302 25156 7536 1 10 . 1 1 172 172 THR CB C 172 68.600 68.600 68.433 0.167 25156 7537 1 10 . 1 1 172 172 THR H H 172 8.977 8.977 8.850 0.127 25156 7538 1 10 . 1 1 173 173 LYS N N 173 119.978 119.978 121.744 -1.766 25156 7539 1 10 . 1 1 173 173 LYS HA H 173 4.200 4.200 4.029 0.171 25156 7540 1 10 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.368 0.132 25156 7541 1 10 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.443 -0.343 25156 7542 1 10 . 1 1 173 173 LYS H H 173 7.959 7.959 8.346 -0.387 25156 7543 1 10 . 1 1 174 174 ASN N N 174 116.606 116.606 116.715 -0.109 25156 7544 1 10 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.507 -0.057 25156 7545 1 10 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.583 1.917 25156 7546 1 10 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.472 1.528 25156 7547 1 10 . 1 1 174 174 ASN H H 174 7.640 7.640 7.813 -0.173 25156 7548 1 10 . 1 1 175 175 TYR N N 175 122.163 122.163 123.570 -1.407 25156 7549 1 10 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.265 -0.235 25156 7550 1 10 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.930 -0.830 25156 7551 1 10 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.589 -0.589 25156 7552 1 10 . 1 1 175 175 TYR H H 175 9.079 9.079 8.533 0.546 25156 7553 1 10 . 1 1 176 176 CYS N N 176 116.655 116.655 116.362 0.293 25156 7554 1 10 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.214 0.526 25156 7555 1 10 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.237 -2.437 25156 7556 1 10 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.372 13.928 25156 7557 1 10 . 1 1 176 176 CYS H H 176 8.799 8.799 8.357 0.442 25156 7558 1 10 . 1 1 177 177 ALA N N 177 120.661 120.661 122.347 -1.686 25156 7559 1 10 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.056 0.024 25156 7560 1 10 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.699 -0.199 25156 7561 1 10 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.750 0.050 25156 7562 1 10 . 1 1 177 177 ALA H H 177 7.337 7.337 7.517 -0.180 25156 7563 1 10 . 1 1 178 178 LEU N N 178 120.820 120.820 120.408 0.412 25156 7564 1 10 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.750 0.100 25156 7565 1 10 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.792 -0.292 25156 7566 1 10 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.990 0.710 25156 7567 1 10 . 1 1 178 178 LEU H H 178 8.075 8.075 7.473 0.602 25156 7568 1 10 . 1 1 179 179 GLU N N 179 117.503 117.503 116.857 0.646 25156 7569 1 10 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.717 -0.207 25156 7570 1 10 . 1 1 179 179 GLU CA C 179 57.900 57.900 59.098 -1.198 25156 7571 1 10 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.528 -2.128 25156 7572 1 10 . 1 1 179 179 GLU H H 179 8.066 8.066 7.523 0.543 25156 7573 1 10 . 1 1 180 180 LYS N N 180 118.823 118.823 119.492 -0.669 25156 7574 1 10 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.453 -0.183 25156 7575 1 10 . 1 1 180 180 LYS CA C 180 57.300 57.300 59.049 -1.749 25156 7576 1 10 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.383 -0.383 25156 7577 1 10 . 1 1 180 180 LYS H H 180 7.424 7.424 7.919 -0.495 25156 7578 1 10 . 1 1 181 181 LYS N N 181 118.403 118.403 120.253 -1.850 25156 7579 1 10 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.103 -0.113 25156 7580 1 10 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.917 -1.017 25156 7581 1 10 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.487 -0.887 25156 7582 1 10 . 1 1 181 181 LYS H H 181 7.381 7.381 8.071 -0.690 25156 7583 1 10 . 1 1 182 182 LYS N N 182 116.472 116.472 114.618 1.854 25156 7584 1 10 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.341 -0.311 25156 7585 1 10 . 1 1 182 182 LYS CA C 182 57.900 57.900 56.496 1.404 25156 7586 1 10 . 1 1 182 182 LYS CB C 182 32.700 32.700 33.502 -0.802 25156 7587 1 10 . 1 1 182 182 LYS H H 182 7.374 7.374 7.510 -0.136 25156 7588 1 10 . 1 1 183 183 ASN N N 183 114.082 114.082 117.650 -3.568 25156 7589 1 10 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.111 -0.061 25156 7590 1 10 . 1 1 183 183 ASN CA C 183 49.700 49.700 52.154 -2.454 25156 7591 1 10 . 1 1 183 183 ASN CB C 183 39.100 39.100 40.025 -0.925 25156 7592 1 10 . 1 1 183 183 ASN H H 183 7.643 7.643 7.604 0.039 25156 7593 1 10 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.348 0.252 25156 7594 1 10 . 1 1 184 184 PRO CA C 184 64.100 64.100 65.443 -1.343 25156 7595 1 10 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.908 -0.008 25156 7596 1 10 . 1 1 185 185 ASN N N 185 114.209 114.209 113.724 0.485 25156 7597 1 10 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.587 0.233 25156 7598 1 10 . 1 1 185 185 ASN CA C 185 52.600 52.600 54.181 -1.581 25156 7599 1 10 . 1 1 185 185 ASN CB C 185 38.300 38.300 38.488 -0.188 25156 7600 1 10 . 1 1 185 185 ASN H H 185 7.866 7.866 8.268 -0.402 25156 7601 1 10 . 1 1 186 186 PHE N N 186 122.429 122.429 123.378 -0.949 25156 7602 1 10 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.409 -0.059 25156 7603 1 10 . 1 1 186 186 PHE CA C 186 58.800 58.800 59.169 -0.369 25156 7604 1 10 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.387 0.213 25156 7605 1 10 . 1 1 186 186 PHE H H 186 8.035 8.035 8.069 -0.034 25156 7606 1 10 . 1 1 187 187 THR N N 187 120.308 120.308 120.186 0.122 25156 7607 1 10 . 1 1 187 187 THR HA H 187 4.110 4.110 4.024 0.086 25156 7608 1 10 . 1 1 187 187 THR CA C 187 59.700 59.700 60.904 -1.204 25156 7609 1 10 . 1 1 187 187 THR CB C 187 70.400 70.400 70.762 -0.362 25156 7610 1 10 . 1 1 187 187 THR H H 187 7.687 7.687 7.766 -0.079 25156 7611 1 10 . 1 1 188 188 ASP N N 188 122.010 122.010 125.663 -3.653 25156 7612 1 10 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.468 -0.088 25156 7613 1 10 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.450 0.550 25156 7614 1 10 . 1 1 188 188 ASP CB C 188 45.000 45.000 41.687 3.313 25156 7615 1 10 . 1 1 188 188 ASP H H 188 7.732 7.732 7.507 0.225 25156 7616 1 10 . 1 1 189 189 GLU N N 189 127.772 127.772 125.804 1.968 25156 7617 1 10 . 1 1 189 189 GLU HA H 189 4.000 4.000 3.979 0.021 25156 7618 1 10 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.540 0.360 25156 7619 1 10 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.708 -0.808 25156 7620 1 10 . 1 1 189 189 GLU H H 189 9.002 9.002 8.710 0.292 25156 7621 1 10 . 1 1 190 190 LYS N N 190 117.753 117.753 117.120 0.633 25156 7622 1 10 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.177 0.053 25156 7623 1 10 . 1 1 190 190 LYS CA C 190 57.600 57.600 56.984 0.616 25156 7624 1 10 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.341 -0.441 25156 7625 1 10 . 1 1 190 190 LYS H H 190 9.144 9.144 8.249 0.895 25156 7626 1 10 . 1 1 191 191 CYS N N 191 115.894 115.894 119.509 -3.615 25156 7627 1 10 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.579 0.391 25156 7628 1 10 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.361 -5.561 25156 7629 1 10 . 1 1 191 191 CYS CB C 191 38.300 38.300 28.669 9.631 25156 7630 1 10 . 1 1 191 191 CYS H H 191 7.999 7.999 7.710 0.289 25156 7631 1 10 . 1 1 192 192 LYS N N 192 121.894 121.894 124.181 -2.287 25156 7632 1 10 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.047 0.243 25156 7633 1 10 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.622 -0.022 25156 7634 1 10 . 1 1 192 192 LYS CB C 192 32.600 32.600 32.826 -0.226 25156 7635 1 10 . 1 1 192 192 LYS H H 192 7.718 7.718 8.264 -0.545 25156 7636 1 10 . 1 1 193 193 ASN N N 193 118.976 118.976 119.827 -0.851 25156 7637 1 10 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.596 0.194 25156 7638 1 10 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.489 -0.488 25156 7639 1 10 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.049 0.451 25156 7640 1 10 . 1 1 193 193 ASN H H 193 8.497 8.497 8.420 0.077 25156 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 153 3.069 0.034 3.078 25156 2 1 1 "Average Difference" HA 159 0.296 -0.048 0.293 25156 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25156 4 1 1 "Average Difference" CA 161 1.291 0.224 1.276 25156 5 1 1 "Average Difference" CB 151 1.782 0.100 1.785 25156 6 1 1 "Average Difference" HN 153 0.603 -0.152 0.586 25156 7 1 2 "Average Difference" N 153 2.826 -0.049 2.835 25156 8 1 2 "Average Difference" HA 159 0.268 -0.033 0.267 25156 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25156 10 1 2 "Average Difference" CA 161 1.166 0.143 1.161 25156 11 1 2 "Average Difference" CB 151 1.743 0.062 1.747 25156 12 1 2 "Average Difference" HN 153 0.659 -0.174 0.638 25156 13 1 3 "Average Difference" N 153 3.161 0.165 3.167 25156 14 1 3 "Average Difference" HA 159 0.279 -0.042 0.276 25156 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25156 16 1 3 "Average Difference" CA 161 1.204 0.186 1.194 25156 17 1 3 "Average Difference" CB 151 1.699 0.064 1.703 25156 18 1 3 "Average Difference" HN 153 0.616 -0.141 0.602 25156 19 1 4 "Average Difference" N 153 2.881 0.128 2.888 25156 20 1 4 "Average Difference" HA 159 0.276 -0.037 0.274 25156 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25156 22 1 4 "Average Difference" CA 161 1.227 0.161 1.220 25156 23 1 4 "Average Difference" CB 151 1.700 0.045 1.705 25156 24 1 4 "Average Difference" HN 153 0.632 -0.119 0.623 25156 25 1 5 "Average Difference" N 153 3.146 -0.242 3.147 25156 26 1 5 "Average Difference" HA 159 0.271 -0.047 0.267 25156 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25156 28 1 5 "Average Difference" CA 161 1.295 0.177 1.287 25156 29 1 5 "Average Difference" CB 151 1.705 0.027 1.710 25156 30 1 5 "Average Difference" HN 153 0.642 -0.181 0.618 25156 31 1 6 "Average Difference" N 153 3.160 0.178 3.165 25156 32 1 6 "Average Difference" HA 159 0.265 -0.051 0.261 25156 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25156 34 1 6 "Average Difference" CA 161 1.229 0.262 1.205 25156 35 1 6 "Average Difference" CB 151 1.684 0.099 1.687 25156 36 1 6 "Average Difference" HN 153 0.600 -0.128 0.588 25156 37 1 7 "Average Difference" N 153 3.184 0.012 3.194 25156 38 1 7 "Average Difference" HA 159 0.264 -0.035 0.263 25156 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25156 40 1 7 "Average Difference" CA 161 1.223 0.187 1.213 25156 41 1 7 "Average Difference" CB 151 1.742 0.118 1.744 25156 42 1 7 "Average Difference" HN 153 0.612 -0.178 0.588 25156 43 1 8 "Average Difference" N 153 2.824 0.149 2.830 25156 44 1 8 "Average Difference" HA 159 0.256 -0.033 0.255 25156 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25156 46 1 8 "Average Difference" CA 161 1.196 0.140 1.191 25156 47 1 8 "Average Difference" CB 151 1.720 0.058 1.724 25156 48 1 8 "Average Difference" HN 153 0.614 -0.134 0.601 25156 49 1 9 "Average Difference" N 153 3.469 0.037 3.480 25156 50 1 9 "Average Difference" HA 159 0.249 -0.024 0.249 25156 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25156 52 1 9 "Average Difference" CA 161 1.321 0.194 1.310 25156 53 1 9 "Average Difference" CB 151 1.683 0.133 1.683 25156 54 1 9 "Average Difference" HN 153 0.631 -0.148 0.615 25156 55 1 10 "Average Difference" N 153 2.724 0.176 2.727 25156 56 1 10 "Average Difference" HA 159 0.263 -0.040 0.261 25156 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25156 58 1 10 "Average Difference" CA 161 1.228 0.222 1.212 25156 59 1 10 "Average Difference" CB 151 1.726 0.146 1.726 25156 60 1 10 "Average Difference" HN 153 0.612 -0.135 0.599 25156 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25156 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 30 30 LEU N N 30 118.365 118.365 121.528 -3.163 25156 2 1 . 1 1 30 30 LEU HA H 30 4.360 4.360 4.395 -0.035 25156 3 1 . 1 1 30 30 LEU CA C 30 54.400 54.400 54.843 -0.443 25156 4 1 . 1 1 30 30 LEU CB C 30 43.200 43.200 42.870 0.330 25156 5 1 . 1 1 30 30 LEU H H 30 8.544 8.544 8.132 0.412 25156 6 1 . 1 1 31 31 LYS N N 31 119.962 119.962 121.714 -1.752 25156 7 1 . 1 1 31 31 LYS HA H 31 4.660 4.660 4.551 0.109 25156 8 1 . 1 1 31 31 LYS CA C 31 54.500 54.500 55.327 -0.827 25156 9 1 . 1 1 31 31 LYS CB C 31 35.700 35.700 34.782 0.919 25156 10 1 . 1 1 31 31 LYS H H 31 9.499 9.499 8.343 1.156 25156 11 1 . 1 1 32 32 GLY N N 32 107.471 107.471 110.506 -3.035 25156 12 1 . 1 1 32 32 GLY CA C 32 45.900 45.900 44.870 1.030 25156 13 1 . 1 1 32 32 GLY H H 32 8.548 8.548 8.215 0.333 25156 14 1 . 1 1 33 33 GLU N N 33 124.823 124.823 120.102 4.721 25156 15 1 . 1 1 33 33 GLU HA H 33 4.010 4.010 4.054 -0.044 25156 16 1 . 1 1 33 33 GLU CA C 33 58.400 58.400 58.945 -0.544 25156 17 1 . 1 1 33 33 GLU CB C 33 28.800 28.800 29.512 -0.712 25156 18 1 . 1 1 33 33 GLU H H 33 9.049 9.049 8.815 0.234 25156 19 1 . 1 1 34 34 THR N N 34 116.008 116.008 115.604 0.404 25156 20 1 . 1 1 34 34 THR HA H 34 4.150 4.150 3.956 0.195 25156 21 1 . 1 1 34 34 THR CA C 34 66.200 66.200 65.852 0.348 25156 22 1 . 1 1 34 34 THR CB C 34 68.500 68.500 68.359 0.141 25156 23 1 . 1 1 34 34 THR H H 34 7.772 7.772 8.409 -0.637 25156 24 1 . 1 1 35 35 LYS N N 35 119.081 119.081 120.882 -1.801 25156 25 1 . 1 1 35 35 LYS HA H 35 3.650 3.650 4.182 -0.532 25156 26 1 . 1 1 35 35 LYS CA C 35 59.400 59.400 59.078 0.322 25156 27 1 . 1 1 35 35 LYS CB C 35 32.300 32.300 32.789 -0.489 25156 28 1 . 1 1 35 35 LYS H H 35 6.838 6.838 7.562 -0.724 25156 29 1 . 1 1 36 36 ILE N N 36 116.476 116.476 115.754 0.722 25156 30 1 . 1 1 36 36 ILE HA H 36 3.740 3.740 4.111 -0.371 25156 31 1 . 1 1 36 36 ILE CA C 36 63.800 63.800 62.868 0.932 25156 32 1 . 1 1 36 36 ILE CB C 36 38.100 38.100 37.790 0.310 25156 33 1 . 1 1 36 36 ILE H H 36 7.020 7.020 7.394 -0.374 25156 34 1 . 1 1 37 37 ILE N N 37 119.272 119.272 122.774 -3.502 25156 35 1 . 1 1 37 37 ILE HA H 37 3.690 3.690 3.604 0.086 25156 36 1 . 1 1 37 37 ILE CA C 37 64.500 64.500 65.375 -0.875 25156 37 1 . 1 1 37 37 ILE CB C 37 39.400 39.400 38.037 1.363 25156 38 1 . 1 1 37 37 ILE H H 37 8.507 8.507 8.845 -0.338 25156 39 1 . 1 1 38 38 LEU N N 38 118.624 118.624 119.848 -1.224 25156 40 1 . 1 1 38 38 LEU HA H 38 4.270 4.270 4.068 0.202 25156 41 1 . 1 1 38 38 LEU CA C 38 57.600 57.600 58.084 -0.484 25156 42 1 . 1 1 38 38 LEU CB C 38 40.100 40.100 41.323 -1.224 25156 43 1 . 1 1 38 38 LEU H H 38 8.363 8.363 7.963 0.400 25156 44 1 . 1 1 39 39 GLU N N 39 118.123 118.123 118.761 -0.638 25156 45 1 . 1 1 39 39 GLU HA H 39 4.000 4.000 4.000 -0.000 25156 46 1 . 1 1 39 39 GLU CA C 39 59.900 59.900 59.675 0.225 25156 47 1 . 1 1 39 39 GLU CB C 39 28.000 28.000 29.251 -1.251 25156 48 1 . 1 1 39 39 GLU H H 39 8.663 8.663 7.785 0.878 25156 49 1 . 1 1 40 40 ARG N N 40 120.230 120.230 119.032 1.198 25156 50 1 . 1 1 40 40 ARG HA H 40 4.190 4.190 4.041 0.149 25156 51 1 . 1 1 40 40 ARG CA C 40 58.500 58.500 59.214 -0.714 25156 52 1 . 1 1 40 40 ARG CB C 40 29.500 29.500 29.960 -0.460 25156 53 1 . 1 1 40 40 ARG H H 40 7.977 7.977 8.761 -0.784 25156 54 1 . 1 1 41 41 SER N N 41 114.690 114.690 114.958 -0.268 25156 55 1 . 1 1 41 41 SER HA H 41 4.210 4.210 4.307 -0.097 25156 56 1 . 1 1 41 41 SER CA C 41 61.900 61.900 61.587 0.313 25156 57 1 . 1 1 41 41 SER CB C 41 63.000 63.000 63.079 -0.079 25156 58 1 . 1 1 41 41 SER H H 41 7.975 7.975 7.785 0.190 25156 59 1 . 1 1 42 42 ALA N N 42 124.202 124.202 123.787 0.415 25156 60 1 . 1 1 42 42 ALA HA H 42 3.670 3.670 4.129 -0.459 25156 61 1 . 1 1 42 42 ALA CA C 42 54.700 54.700 54.632 0.068 25156 62 1 . 1 1 42 42 ALA CB C 42 17.200 17.200 18.326 -1.126 25156 63 1 . 1 1 42 42 ALA H H 42 8.578 8.578 7.816 0.762 25156 64 1 . 1 1 43 43 LYS N N 43 121.324 121.324 119.570 1.754 25156 65 1 . 1 1 43 43 LYS HA H 43 4.060 4.060 3.990 0.070 25156 66 1 . 1 1 43 43 LYS CA C 43 58.400 58.400 59.695 -1.296 25156 67 1 . 1 1 43 43 LYS CB C 43 31.300 31.300 32.230 -0.930 25156 68 1 . 1 1 43 43 LYS H H 43 7.958 7.958 8.107 -0.149 25156 69 1 . 1 1 44 44 ASP N N 44 118.176 118.176 119.459 -1.283 25156 70 1 . 1 1 44 44 ASP HA H 44 4.390 4.390 4.438 -0.048 25156 71 1 . 1 1 44 44 ASP CA C 44 57.200 57.200 57.168 0.032 25156 72 1 . 1 1 44 44 ASP CB C 44 39.300 39.300 40.336 -1.036 25156 73 1 . 1 1 44 44 ASP H H 44 8.111 8.111 7.734 0.377 25156 74 1 . 1 1 45 45 ILE N N 45 117.643 117.643 119.725 -2.082 25156 75 1 . 1 1 45 45 ILE HA H 45 3.820 3.820 3.691 0.129 25156 76 1 . 1 1 45 45 ILE CA C 45 64.700 64.700 64.911 -0.211 25156 77 1 . 1 1 45 45 ILE CB C 45 37.600 37.600 37.759 -0.159 25156 78 1 . 1 1 45 45 ILE H H 45 7.417 7.417 7.487 -0.070 25156 79 1 . 1 1 46 46 THR N N 46 116.310 116.310 115.055 1.255 25156 80 1 . 1 1 46 46 THR HA H 46 4.160 4.160 3.907 0.253 25156 81 1 . 1 1 46 46 THR CA C 46 66.200 66.200 66.788 -0.588 25156 82 1 . 1 1 46 46 THR CB C 46 67.500 67.500 68.444 -0.944 25156 83 1 . 1 1 46 46 THR H H 46 7.702 7.702 8.049 -0.347 25156 84 1 . 1 1 47 47 ASP N N 47 121.550 121.550 120.849 0.701 25156 85 1 . 1 1 47 47 ASP HA H 47 4.460 4.460 4.452 0.008 25156 86 1 . 1 1 47 47 ASP CA C 47 57.000 57.000 56.816 0.184 25156 87 1 . 1 1 47 47 ASP CB C 47 39.400 39.400 40.763 -1.363 25156 88 1 . 1 1 47 47 ASP H H 47 9.154 9.154 8.196 0.958 25156 89 1 . 1 1 48 48 GLU N N 48 122.105 122.105 120.118 1.987 25156 90 1 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.076 0.194 25156 91 1 . 1 1 48 48 GLU CA C 48 58.500 58.500 59.257 -0.757 25156 92 1 . 1 1 48 48 GLU CB C 48 29.000 29.000 29.324 -0.324 25156 93 1 . 1 1 48 48 GLU H H 48 7.812 7.812 7.964 -0.152 25156 94 1 . 1 1 49 49 ILE N N 49 119.770 119.770 118.493 1.277 25156 95 1 . 1 1 49 49 ILE HA H 49 3.580 3.580 3.768 -0.188 25156 96 1 . 1 1 49 49 ILE CA C 49 65.700 65.700 63.916 1.784 25156 97 1 . 1 1 49 49 ILE CB C 49 36.900 36.900 36.623 0.277 25156 98 1 . 1 1 49 49 ILE H H 49 8.655 8.655 7.501 1.154 25156 99 1 . 1 1 50 50 ASN N N 50 118.094 118.094 118.403 -0.309 25156 100 1 . 1 1 50 50 ASN HA H 50 4.460 4.460 4.350 0.110 25156 101 1 . 1 1 50 50 ASN CA C 50 55.900 55.900 56.239 -0.339 25156 102 1 . 1 1 50 50 ASN CB C 50 37.000 37.000 38.124 -1.124 25156 103 1 . 1 1 50 50 ASN H H 50 8.399 8.399 7.845 0.554 25156 104 1 . 1 1 51 51 LYS N N 51 122.985 122.985 120.533 2.452 25156 105 1 . 1 1 51 51 LYS HA H 51 4.100 4.100 4.034 0.066 25156 106 1 . 1 1 51 51 LYS CA C 51 59.500 59.500 59.605 -0.105 25156 107 1 . 1 1 51 51 LYS CB C 51 31.700 31.700 32.324 -0.624 25156 108 1 . 1 1 51 51 LYS H H 51 7.949 7.949 7.626 0.323 25156 109 1 . 1 1 52 52 ILE N N 52 121.342 121.342 119.202 2.140 25156 110 1 . 1 1 52 52 ILE HA H 52 3.790 3.790 3.960 -0.170 25156 111 1 . 1 1 52 52 ILE CA C 52 65.800 65.800 63.372 2.428 25156 112 1 . 1 1 52 52 ILE CB C 52 38.500 38.500 36.819 1.681 25156 113 1 . 1 1 52 52 ILE H H 52 8.584 8.584 7.697 0.887 25156 114 1 . 1 1 53 53 LYS N N 53 118.268 118.268 120.462 -2.194 25156 115 1 . 1 1 53 53 LYS HA H 53 3.920 3.920 3.559 0.361 25156 116 1 . 1 1 53 53 LYS CA C 53 60.400 60.400 59.882 0.518 25156 117 1 . 1 1 53 53 LYS CB C 53 32.100 32.100 31.769 0.331 25156 118 1 . 1 1 53 53 LYS H H 53 8.548 8.548 7.838 0.710 25156 119 1 . 1 1 54 54 LYS N N 54 122.485 122.485 119.002 3.483 25156 120 1 . 1 1 54 54 LYS HA H 54 4.160 4.160 3.954 0.206 25156 121 1 . 1 1 54 54 LYS CA C 54 58.900 58.900 59.664 -0.765 25156 122 1 . 1 1 54 54 LYS CB C 54 31.800 31.800 32.206 -0.406 25156 123 1 . 1 1 54 54 LYS H H 54 7.855 7.855 7.921 -0.066 25156 124 1 . 1 1 55 55 ASP N N 55 120.775 120.775 119.747 1.028 25156 125 1 . 1 1 55 55 ASP HA H 55 4.340 4.340 4.430 -0.090 25156 126 1 . 1 1 55 55 ASP CA C 55 56.900 56.900 57.139 -0.239 25156 127 1 . 1 1 55 55 ASP CB C 55 39.900 39.900 40.687 -0.787 25156 128 1 . 1 1 55 55 ASP H H 55 8.813 8.813 7.950 0.863 25156 129 1 . 1 1 56 56 ALA N N 56 123.205 123.205 121.933 1.272 25156 130 1 . 1 1 56 56 ALA HA H 56 3.520 3.520 4.193 -0.673 25156 131 1 . 1 1 56 56 ALA CA C 56 55.100 55.100 55.254 -0.154 25156 132 1 . 1 1 56 56 ALA CB C 56 17.100 17.100 18.685 -1.585 25156 133 1 . 1 1 56 56 ALA H H 56 9.101 9.101 8.572 0.529 25156 134 1 . 1 1 57 57 ALA N N 57 121.461 121.461 120.788 0.673 25156 135 1 . 1 1 57 57 ALA HA H 57 4.240 4.240 3.985 0.255 25156 136 1 . 1 1 57 57 ALA CA C 57 54.800 54.800 54.680 0.120 25156 137 1 . 1 1 57 57 ALA CB C 57 17.300 17.300 18.383 -1.083 25156 138 1 . 1 1 57 57 ALA H H 57 7.770 7.770 8.234 -0.464 25156 139 1 . 1 1 58 58 ASP N N 58 119.548 119.548 119.174 0.374 25156 140 1 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.421 -0.031 25156 141 1 . 1 1 58 58 ASP CA C 58 56.400 56.400 56.437 -0.037 25156 142 1 . 1 1 58 58 ASP CB C 58 39.800 39.800 40.700 -0.900 25156 143 1 . 1 1 58 58 ASP H H 58 8.443 8.443 8.239 0.204 25156 144 1 . 1 1 59 59 ASN N N 59 115.622 115.622 115.479 0.143 25156 145 1 . 1 1 59 59 ASN HA H 59 4.650 4.650 4.614 0.036 25156 146 1 . 1 1 59 59 ASN CA C 59 53.000 53.000 52.937 0.063 25156 147 1 . 1 1 59 59 ASN CB C 59 39.200 39.200 38.682 0.518 25156 148 1 . 1 1 59 59 ASN H H 59 7.500 7.500 7.710 -0.210 25156 149 1 . 1 1 60 60 ASN N N 60 116.019 116.019 116.674 -0.655 25156 150 1 . 1 1 60 60 ASN HA H 60 4.330 4.330 4.347 -0.017 25156 151 1 . 1 1 60 60 ASN CA C 60 54.300 54.300 54.135 0.165 25156 152 1 . 1 1 60 60 ASN CB C 60 36.700 36.700 36.920 -0.220 25156 153 1 . 1 1 60 60 ASN H H 60 7.930 7.930 7.723 0.207 25156 154 1 . 1 1 61 61 VAL N N 61 119.072 119.072 118.444 0.628 25156 155 1 . 1 1 61 61 VAL HA H 61 3.960 3.960 4.226 -0.266 25156 156 1 . 1 1 61 61 VAL CA C 61 61.500 61.500 60.662 0.838 25156 157 1 . 1 1 61 61 VAL CB C 61 32.600 32.600 34.299 -1.699 25156 158 1 . 1 1 61 61 VAL H H 61 8.245 8.245 7.767 0.478 25156 159 1 . 1 1 62 62 ASN N N 62 125.564 125.564 123.131 2.433 25156 160 1 . 1 1 62 62 ASN HA H 62 4.640 4.640 4.663 -0.023 25156 161 1 . 1 1 62 62 ASN CA C 62 52.100 52.100 53.817 -1.717 25156 162 1 . 1 1 62 62 ASN CB C 62 38.600 38.600 38.019 0.581 25156 163 1 . 1 1 62 62 ASN H H 62 8.524 8.524 8.753 -0.229 25156 164 1 . 1 1 63 63 PHE N N 63 125.711 125.711 126.759 -1.048 25156 165 1 . 1 1 63 63 PHE CA C 63 60.700 60.700 61.145 -0.446 25156 166 1 . 1 1 63 63 PHE CB C 63 38.300 38.300 39.320 -1.020 25156 167 1 . 1 1 63 63 PHE H H 63 8.904 8.904 8.342 0.562 25156 168 1 . 1 1 64 64 ALA N N 64 121.816 121.816 121.583 0.233 25156 169 1 . 1 1 64 64 ALA HA H 64 4.200 4.200 3.928 0.272 25156 170 1 . 1 1 64 64 ALA CA C 64 53.800 53.800 54.295 -0.494 25156 171 1 . 1 1 64 64 ALA CB C 64 17.700 17.700 17.885 -0.185 25156 172 1 . 1 1 64 64 ALA H H 64 8.492 8.492 8.675 -0.183 25156 173 1 . 1 1 65 65 ALA N N 65 118.873 118.873 121.190 -2.317 25156 174 1 . 1 1 65 65 ALA HA H 65 4.180 4.180 4.052 0.128 25156 175 1 . 1 1 65 65 ALA CA C 65 53.400 53.400 54.156 -0.756 25156 176 1 . 1 1 65 65 ALA CB C 65 18.500 18.500 18.216 0.284 25156 177 1 . 1 1 65 65 ALA H H 65 7.984 7.984 7.411 0.573 25156 178 1 . 1 1 66 66 PHE N N 66 115.587 115.587 115.960 -0.373 25156 179 1 . 1 1 66 66 PHE HA H 66 4.060 4.060 4.013 0.047 25156 180 1 . 1 1 66 66 PHE CA C 66 60.700 60.700 60.732 -0.032 25156 181 1 . 1 1 66 66 PHE CB C 66 38.500 38.500 38.393 0.107 25156 182 1 . 1 1 66 66 PHE H H 66 7.795 7.795 8.035 -0.240 25156 183 1 . 1 1 67 67 THR N N 67 109.477 109.477 109.487 -0.010 25156 184 1 . 1 1 67 67 THR HA H 67 4.330 4.330 4.184 0.146 25156 185 1 . 1 1 67 67 THR CA C 67 61.900 61.900 63.206 -1.306 25156 186 1 . 1 1 67 67 THR CB C 67 69.000 69.000 69.972 -0.972 25156 187 1 . 1 1 67 67 THR H H 67 7.563 7.563 7.607 -0.044 25156 188 1 . 1 1 68 68 ASP N N 68 122.883 122.883 121.655 1.228 25156 189 1 . 1 1 68 68 ASP HA H 68 4.650 4.650 4.314 0.336 25156 190 1 . 1 1 68 68 ASP CA C 68 54.600 54.600 55.366 -0.766 25156 191 1 . 1 1 68 68 ASP CB C 68 40.900 40.900 39.980 0.920 25156 192 1 . 1 1 68 68 ASP H H 68 7.969 7.969 8.060 -0.091 25156 193 1 . 1 1 69 69 SER N N 69 115.778 115.778 116.387 -0.609 25156 194 1 . 1 1 69 69 SER HA H 69 4.410 4.410 4.420 -0.010 25156 195 1 . 1 1 69 69 SER CA C 69 58.500 58.500 58.686 -0.186 25156 196 1 . 1 1 69 69 SER CB C 69 63.400 63.400 64.231 -0.831 25156 197 1 . 1 1 69 69 SER H H 69 8.277 8.277 8.035 0.242 25156 198 1 . 1 1 70 70 GLU N N 70 122.040 122.040 122.650 -0.610 25156 199 1 . 1 1 70 70 GLU HA H 70 4.360 4.360 4.253 0.107 25156 200 1 . 1 1 70 70 GLU CA C 70 56.600 56.600 57.517 -0.917 25156 201 1 . 1 1 70 70 GLU CB C 70 29.300 29.300 30.025 -0.725 25156 202 1 . 1 1 70 70 GLU H H 70 8.464 8.464 8.588 -0.125 25156 203 1 . 1 1 71 71 THR N N 71 113.162 113.162 114.465 -1.303 25156 204 1 . 1 1 71 71 THR HA H 71 4.320 4.320 4.298 0.022 25156 205 1 . 1 1 71 71 THR CA C 71 61.900 61.900 62.171 -0.271 25156 206 1 . 1 1 71 71 THR CB C 71 69.200 69.200 69.383 -0.183 25156 207 1 . 1 1 71 71 THR H H 71 8.060 8.060 8.051 0.009 25156 208 1 . 1 1 72 72 GLY N N 72 111.140 111.140 111.597 -0.457 25156 209 1 . 1 1 72 72 GLY CA C 72 45.200 45.200 45.060 0.140 25156 210 1 . 1 1 72 72 GLY H H 72 8.412 8.412 8.234 0.178 25156 211 1 . 1 1 73 73 SER N N 73 115.757 115.757 115.302 0.455 25156 212 1 . 1 1 73 73 SER HA H 73 4.410 4.410 4.309 0.101 25156 213 1 . 1 1 73 73 SER CA C 73 58.400 58.400 58.645 -0.245 25156 214 1 . 1 1 73 73 SER CB C 73 63.400 63.400 63.451 -0.051 25156 215 1 . 1 1 73 73 SER H H 73 8.237 8.237 8.175 0.062 25156 216 1 . 1 1 75 75 VAL N N 75 118.866 118.866 121.712 -2.846 25156 217 1 . 1 1 75 75 VAL HA H 75 4.150 4.150 4.065 0.085 25156 218 1 . 1 1 75 75 VAL CA C 75 61.900 61.900 62.307 -0.407 25156 219 1 . 1 1 75 75 VAL CB C 75 32.600 32.600 33.158 -0.558 25156 220 1 . 1 1 75 75 VAL H H 75 7.997 7.997 8.283 -0.286 25156 221 1 . 1 1 76 76 SER N N 76 117.059 117.059 115.881 1.178 25156 222 1 . 1 1 76 76 SER HA H 76 4.280 4.280 4.294 -0.014 25156 223 1 . 1 1 76 76 SER CA C 76 58.600 58.600 58.777 -0.177 25156 224 1 . 1 1 76 76 SER CB C 76 63.400 63.400 63.208 0.192 25156 225 1 . 1 1 76 76 SER H H 76 8.183 8.183 8.457 -0.274 25156 226 1 . 1 1 77 77 GLU N N 77 121.924 121.924 121.060 0.864 25156 227 1 . 1 1 77 77 GLU HA H 77 4.320 4.320 4.113 0.207 25156 228 1 . 1 1 77 77 GLU CA C 77 55.900 55.900 57.421 -1.521 25156 229 1 . 1 1 77 77 GLU CB C 77 29.700 29.700 29.599 0.102 25156 230 1 . 1 1 77 77 GLU H H 77 8.302 8.302 8.463 -0.161 25156 231 1 . 1 1 78 78 ASN N N 78 120.401 120.401 117.552 2.849 25156 232 1 . 1 1 78 78 ASN HA H 78 4.760 4.760 4.684 0.076 25156 233 1 . 1 1 78 78 ASN CA C 78 52.900 52.900 53.307 -0.407 25156 234 1 . 1 1 78 78 ASN CB C 78 39.100 39.100 39.086 0.014 25156 235 1 . 1 1 78 78 ASN H H 78 8.308 8.308 8.113 0.195 25156 236 1 . 1 1 79 79 SER CA C 79 58.300 58.300 60.561 -2.261 25156 237 1 . 1 1 79 79 SER CB C 79 62.300 62.300 63.297 -0.997 25156 238 1 . 1 1 80 80 PHE N N 80 121.812 121.812 123.553 -1.741 25156 239 1 . 1 1 80 80 PHE HA H 80 4.220 4.220 4.262 -0.042 25156 240 1 . 1 1 80 80 PHE CA C 80 61.200 61.200 61.136 0.064 25156 241 1 . 1 1 80 80 PHE CB C 80 38.200 38.200 38.854 -0.654 25156 242 1 . 1 1 80 80 PHE H H 80 8.280 8.280 8.436 -0.156 25156 243 1 . 1 1 81 81 ILE N N 81 119.199 119.199 118.138 1.062 25156 244 1 . 1 1 81 81 ILE HA H 81 3.230 3.230 2.987 0.243 25156 245 1 . 1 1 81 81 ILE CA C 81 63.600 63.600 63.914 -0.314 25156 246 1 . 1 1 81 81 ILE CB C 81 36.700 36.700 36.627 0.073 25156 247 1 . 1 1 81 81 ILE H H 81 7.483 7.483 7.499 -0.016 25156 248 1 . 1 1 82 82 LEU N N 82 117.108 117.108 118.847 -1.739 25156 249 1 . 1 1 82 82 LEU HA H 82 4.120 4.120 3.818 0.302 25156 250 1 . 1 1 82 82 LEU CA C 82 57.600 57.600 57.891 -0.291 25156 251 1 . 1 1 82 82 LEU CB C 82 42.700 42.700 41.287 1.413 25156 252 1 . 1 1 82 82 LEU H H 82 7.464 7.464 7.462 0.002 25156 253 1 . 1 1 83 83 GLU N N 83 117.300 117.300 119.397 -2.097 25156 254 1 . 1 1 83 83 GLU HA H 83 3.670 3.670 3.941 -0.271 25156 255 1 . 1 1 83 83 GLU CA C 83 58.900 58.900 59.169 -0.269 25156 256 1 . 1 1 83 83 GLU CB C 83 29.100 29.100 29.772 -0.671 25156 257 1 . 1 1 83 83 GLU H H 83 8.093 8.093 8.688 -0.595 25156 258 1 . 1 1 84 84 ALA N N 84 122.149 122.149 121.565 0.584 25156 259 1 . 1 1 84 84 ALA HA H 84 3.850 3.850 4.016 -0.166 25156 260 1 . 1 1 84 84 ALA CA C 84 55.000 55.000 54.913 0.087 25156 261 1 . 1 1 84 84 ALA CB C 84 18.400 18.400 18.087 0.313 25156 262 1 . 1 1 84 84 ALA H H 84 8.431 8.431 8.024 0.407 25156 263 1 . 1 1 85 85 LYS N N 85 116.458 116.458 118.346 -1.888 25156 264 1 . 1 1 85 85 LYS HA H 85 3.960 3.960 3.930 0.030 25156 265 1 . 1 1 85 85 LYS CA C 85 60.700 60.700 59.351 1.349 25156 266 1 . 1 1 85 85 LYS CB C 85 31.800 31.800 32.143 -0.344 25156 267 1 . 1 1 85 85 LYS H H 85 8.122 8.122 7.469 0.653 25156 268 1 . 1 1 86 86 VAL N N 86 122.206 122.206 118.979 3.227 25156 269 1 . 1 1 86 86 VAL HA H 86 3.340 3.340 3.679 -0.339 25156 270 1 . 1 1 86 86 VAL CA C 86 67.600 67.600 66.151 1.449 25156 271 1 . 1 1 86 86 VAL CB C 86 31.400 31.400 31.408 -0.008 25156 272 1 . 1 1 86 86 VAL H H 86 8.116 8.116 7.452 0.664 25156 273 1 . 1 1 87 87 ARG N N 87 122.354 122.354 119.237 3.117 25156 274 1 . 1 1 87 87 ARG HA H 87 4.030 4.030 4.031 -0.001 25156 275 1 . 1 1 87 87 ARG CA C 87 59.400 59.400 59.021 0.379 25156 276 1 . 1 1 87 87 ARG CB C 87 30.800 30.800 29.272 1.528 25156 277 1 . 1 1 87 87 ARG H H 87 8.768 8.768 7.579 1.189 25156 278 1 . 1 1 88 88 ALA N N 88 119.659 119.659 120.233 -0.574 25156 279 1 . 1 1 88 88 ALA HA H 88 3.900 3.900 4.230 -0.330 25156 280 1 . 1 1 88 88 ALA CA C 88 54.800 54.800 54.854 -0.055 25156 281 1 . 1 1 88 88 ALA CB C 88 18.200 18.200 18.314 -0.114 25156 282 1 . 1 1 88 88 ALA H H 88 8.789 8.789 7.649 1.140 25156 283 1 . 1 1 89 89 THR N N 89 105.646 105.646 114.497 -8.851 25156 284 1 . 1 1 89 89 THR HA H 89 4.310 4.310 4.097 0.213 25156 285 1 . 1 1 89 89 THR CA C 89 65.600 65.600 66.438 -0.838 25156 286 1 . 1 1 89 89 THR CB C 89 67.900 67.900 68.526 -0.626 25156 287 1 . 1 1 89 89 THR H H 89 8.063 8.063 7.800 0.263 25156 288 1 . 1 1 90 90 THR N N 90 120.262 120.262 118.619 1.643 25156 289 1 . 1 1 90 90 THR HA H 90 4.370 4.370 4.100 0.270 25156 290 1 . 1 1 90 90 THR CA C 90 67.000 67.000 66.873 0.127 25156 291 1 . 1 1 90 90 THR CB C 90 68.200 68.200 68.543 -0.343 25156 292 1 . 1 1 90 90 THR H H 90 8.021 8.021 8.256 -0.235 25156 293 1 . 1 1 91 91 VAL N N 91 119.100 119.100 119.619 -0.519 25156 294 1 . 1 1 91 91 VAL HA H 91 4.020 4.020 3.791 0.229 25156 295 1 . 1 1 91 91 VAL CA C 91 65.300 65.300 65.553 -0.253 25156 296 1 . 1 1 91 91 VAL CB C 91 30.900 30.900 31.042 -0.142 25156 297 1 . 1 1 91 91 VAL H H 91 7.653 7.653 7.463 0.190 25156 298 1 . 1 1 92 92 ALA N N 92 124.800 124.800 121.983 2.817 25156 299 1 . 1 1 92 92 ALA HA H 92 4.300 4.300 4.024 0.276 25156 300 1 . 1 1 92 92 ALA CA C 92 54.600 54.600 55.118 -0.518 25156 301 1 . 1 1 92 92 ALA CB C 92 19.500 19.500 18.107 1.394 25156 302 1 . 1 1 92 92 ALA H H 92 8.189 8.189 7.618 0.571 25156 303 1 . 1 1 93 93 GLU N N 93 120.300 120.300 118.503 1.797 25156 304 1 . 1 1 93 93 GLU HA H 93 3.780 3.780 3.976 -0.196 25156 305 1 . 1 1 93 93 GLU CA C 93 60.200 60.200 59.606 0.594 25156 306 1 . 1 1 93 93 GLU CB C 93 28.700 28.700 29.492 -0.792 25156 307 1 . 1 1 93 93 GLU H H 93 8.710 8.710 8.510 0.200 25156 308 1 . 1 1 94 94 LYS N N 94 119.247 119.247 119.478 -0.231 25156 309 1 . 1 1 94 94 LYS HA H 94 4.100 4.100 4.034 0.066 25156 310 1 . 1 1 94 94 LYS CA C 94 59.500 59.500 59.324 0.176 25156 311 1 . 1 1 94 94 LYS CB C 94 31.500 31.500 32.271 -0.771 25156 312 1 . 1 1 94 94 LYS H H 94 7.575 7.575 7.560 0.015 25156 313 1 . 1 1 95 95 PHE N N 95 121.711 121.711 120.752 0.959 25156 314 1 . 1 1 95 95 PHE HA H 95 4.610 4.610 4.168 0.442 25156 315 1 . 1 1 95 95 PHE CA C 95 59.700 59.700 61.803 -2.103 25156 316 1 . 1 1 95 95 PHE CB C 95 39.000 39.000 39.134 -0.134 25156 317 1 . 1 1 95 95 PHE H H 95 7.467 7.467 7.897 -0.430 25156 318 1 . 1 1 96 96 VAL N N 96 119.674 119.674 118.965 0.709 25156 319 1 . 1 1 96 96 VAL HA H 96 3.130 3.130 3.668 -0.538 25156 320 1 . 1 1 96 96 VAL CA C 96 66.900 66.900 66.499 0.400 25156 321 1 . 1 1 96 96 VAL CB C 96 31.000 31.000 31.429 -0.429 25156 322 1 . 1 1 96 96 VAL H H 96 8.186 8.186 7.891 0.294 25156 323 1 . 1 1 97 97 THR N N 97 117.086 117.086 115.677 1.409 25156 324 1 . 1 1 97 97 THR HA H 97 4.300 4.300 3.991 0.309 25156 325 1 . 1 1 97 97 THR CA C 97 65.600 65.600 66.566 -0.966 25156 326 1 . 1 1 97 97 THR CB C 97 68.300 68.300 68.657 -0.357 25156 327 1 . 1 1 97 97 THR H H 97 8.470 8.470 8.233 0.237 25156 328 1 . 1 1 98 98 ALA N N 98 126.429 126.429 124.383 2.045 25156 329 1 . 1 1 98 98 ALA HA H 98 4.170 4.170 4.018 0.152 25156 330 1 . 1 1 98 98 ALA CA C 98 55.100 55.100 54.928 0.171 25156 331 1 . 1 1 98 98 ALA CB C 98 16.700 16.700 17.918 -1.218 25156 332 1 . 1 1 98 98 ALA H H 98 7.842 7.842 8.399 -0.557 25156 333 1 . 1 1 99 99 ILE N N 99 121.241 121.241 119.125 2.115 25156 334 1 . 1 1 99 99 ILE HA H 99 3.480 3.480 3.538 -0.058 25156 335 1 . 1 1 99 99 ILE CA C 99 64.000 64.000 65.363 -1.363 25156 336 1 . 1 1 99 99 ILE CB C 99 35.200 35.200 37.858 -2.658 25156 337 1 . 1 1 99 99 ILE H H 99 7.937 7.937 7.812 0.125 25156 338 1 . 1 1 100 100 GLU N N 100 118.069 118.069 118.444 -0.375 25156 339 1 . 1 1 100 100 GLU HA H 100 3.720 3.720 3.959 -0.239 25156 340 1 . 1 1 100 100 GLU CA C 100 59.000 59.000 58.880 0.120 25156 341 1 . 1 1 100 100 GLU CB C 100 29.300 29.300 29.312 -0.012 25156 342 1 . 1 1 100 100 GLU H H 100 8.458 8.458 7.835 0.623 25156 343 1 . 1 1 101 101 GLY N N 101 107.210 107.210 106.684 0.526 25156 344 1 . 1 1 101 101 GLY CA C 101 46.900 46.900 45.593 1.307 25156 345 1 . 1 1 101 101 GLY H H 101 8.411 8.411 7.503 0.908 25156 346 1 . 1 1 102 102 GLU N N 102 121.134 121.134 122.486 -1.352 25156 347 1 . 1 1 102 102 GLU HA H 102 4.180 4.180 3.903 0.276 25156 348 1 . 1 1 102 102 GLU CA C 102 57.800 57.800 58.614 -0.815 25156 349 1 . 1 1 102 102 GLU CB C 102 28.700 28.700 29.380 -0.680 25156 350 1 . 1 1 102 102 GLU H H 102 8.344 8.344 8.731 -0.387 25156 351 1 . 1 1 103 103 ALA N N 103 121.862 121.862 120.096 1.766 25156 352 1 . 1 1 103 103 ALA HA H 103 4.050 4.050 3.963 0.087 25156 353 1 . 1 1 103 103 ALA CA C 103 56.000 56.000 54.498 1.502 25156 354 1 . 1 1 103 103 ALA CB C 103 16.500 16.500 18.587 -2.087 25156 355 1 . 1 1 103 103 ALA H H 103 9.325 9.325 7.601 1.724 25156 356 1 . 1 1 104 104 THR N N 104 110.782 110.782 112.686 -1.904 25156 357 1 . 1 1 104 104 THR HA H 104 4.330 4.330 3.863 0.467 25156 358 1 . 1 1 104 104 THR CA C 104 67.000 67.000 64.567 2.433 25156 359 1 . 1 1 104 104 THR CB C 104 68.100 68.100 67.810 0.290 25156 360 1 . 1 1 104 104 THR H H 104 7.796 7.796 7.923 -0.127 25156 361 1 . 1 1 105 105 LYS N N 105 123.041 123.041 119.966 3.074 25156 362 1 . 1 1 105 105 LYS HA H 105 4.050 4.050 4.373 -0.323 25156 363 1 . 1 1 105 105 LYS CA C 105 59.200 59.200 56.585 2.616 25156 364 1 . 1 1 105 105 LYS CB C 105 32.200 32.200 33.488 -1.288 25156 365 1 . 1 1 105 105 LYS H H 105 7.728 7.728 8.327 -0.599 25156 366 1 . 1 1 106 106 LEU N N 106 117.015 117.015 118.828 -1.812 25156 367 1 . 1 1 106 106 LEU HA H 106 4.510 4.510 4.679 -0.169 25156 368 1 . 1 1 106 106 LEU CA C 106 54.200 54.200 55.920 -1.720 25156 369 1 . 1 1 106 106 LEU CB C 106 42.300 42.300 42.881 -0.581 25156 370 1 . 1 1 106 106 LEU H H 106 7.768 7.768 7.963 -0.195 25156 371 1 . 1 1 107 107 LYS N N 107 122.173 122.173 119.887 2.286 25156 372 1 . 1 1 107 107 LYS HA H 107 3.920 3.920 3.938 -0.018 25156 373 1 . 1 1 107 107 LYS CA C 107 60.900 60.900 59.490 1.410 25156 374 1 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.139 0.361 25156 375 1 . 1 1 107 107 LYS H H 107 7.452 7.452 8.309 -0.857 25156 376 1 . 1 1 108 108 LYS N N 108 114.243 114.243 116.022 -1.779 25156 377 1 . 1 1 108 108 LYS HA H 108 4.600 4.600 4.345 0.255 25156 378 1 . 1 1 108 108 LYS CA C 108 56.800 56.800 57.529 -0.729 25156 379 1 . 1 1 108 108 LYS CB C 108 32.800 32.800 32.943 -0.143 25156 380 1 . 1 1 108 108 LYS H H 108 8.735 8.735 7.603 1.132 25156 381 1 . 1 1 109 109 THR N N 109 106.918 106.918 110.734 -3.816 25156 382 1 . 1 1 109 109 THR HA H 109 4.410 4.410 4.296 0.114 25156 383 1 . 1 1 109 109 THR CA C 109 61.500 61.500 60.836 0.664 25156 384 1 . 1 1 109 109 THR CB C 109 69.700 69.700 67.507 2.193 25156 385 1 . 1 1 109 109 THR H H 109 7.530 7.530 7.701 -0.171 25156 386 1 . 1 1 110 110 GLY N N 110 111.753 111.753 111.402 0.351 25156 387 1 . 1 1 110 110 GLY CA C 110 45.200 45.200 46.562 -1.362 25156 388 1 . 1 1 110 110 GLY H H 110 9.066 9.066 7.956 1.110 25156 389 1 . 1 1 111 111 SER N N 111 118.638 118.638 115.824 2.814 25156 390 1 . 1 1 111 111 SER HA H 111 4.930 4.930 4.499 0.431 25156 391 1 . 1 1 111 111 SER CA C 111 56.600 56.600 57.304 -0.704 25156 392 1 . 1 1 111 111 SER CB C 111 66.400 66.400 64.977 1.423 25156 393 1 . 1 1 111 111 SER H H 111 8.709 8.709 7.957 0.752 25156 394 1 . 1 1 112 112 SER N N 112 116.928 116.928 118.554 -1.626 25156 395 1 . 1 1 112 112 SER CA C 112 61.200 61.200 60.901 0.299 25156 396 1 . 1 1 112 112 SER CB C 112 62.500 62.500 63.023 -0.523 25156 397 1 . 1 1 112 112 SER H H 112 9.082 9.082 8.765 0.317 25156 398 1 . 1 1 113 113 GLY CA C 113 46.300 46.300 46.046 0.254 25156 399 1 . 1 1 114 114 GLU N N 114 122.746 122.746 122.872 -0.126 25156 400 1 . 1 1 114 114 GLU HA H 114 3.750 3.750 4.003 -0.253 25156 401 1 . 1 1 114 114 GLU CA C 114 59.000 59.000 59.183 -0.183 25156 402 1 . 1 1 114 114 GLU CB C 114 28.900 28.900 29.354 -0.454 25156 403 1 . 1 1 114 114 GLU H H 114 7.628 7.628 7.957 -0.329 25156 404 1 . 1 1 115 115 PHE N N 115 118.328 118.328 116.474 1.854 25156 405 1 . 1 1 115 115 PHE HA H 115 4.420 4.420 4.311 0.109 25156 406 1 . 1 1 115 115 PHE CA C 115 61.500 61.500 60.470 1.030 25156 407 1 . 1 1 115 115 PHE CB C 115 36.900 36.900 38.178 -1.278 25156 408 1 . 1 1 115 115 PHE H H 115 7.102 7.102 7.774 -0.672 25156 409 1 . 1 1 116 116 SER N N 116 115.349 115.349 115.553 -0.204 25156 410 1 . 1 1 116 116 SER HA H 116 4.510 4.510 4.199 0.311 25156 411 1 . 1 1 116 116 SER CA C 116 61.700 61.700 60.711 0.989 25156 412 1 . 1 1 116 116 SER CB C 116 62.800 62.800 62.994 -0.194 25156 413 1 . 1 1 116 116 SER H H 116 8.940 8.940 7.482 1.458 25156 414 1 . 1 1 117 117 ALA N N 117 122.730 122.730 124.337 -1.607 25156 415 1 . 1 1 117 117 ALA HA H 117 4.270 4.270 4.177 0.093 25156 416 1 . 1 1 117 117 ALA CA C 117 54.800 54.800 54.619 0.181 25156 417 1 . 1 1 117 117 ALA CB C 117 17.400 17.400 18.300 -0.900 25156 418 1 . 1 1 117 117 ALA H H 117 7.501 7.501 8.164 -0.663 25156 419 1 . 1 1 118 118 MET N N 118 118.754 118.754 118.080 0.674 25156 420 1 . 1 1 118 118 MET HA H 118 3.950 3.950 4.146 -0.196 25156 421 1 . 1 1 118 118 MET CA C 118 60.300 60.300 59.448 0.852 25156 422 1 . 1 1 118 118 MET CB C 118 31.500 31.500 32.559 -1.059 25156 423 1 . 1 1 118 118 MET H H 118 7.812 7.812 7.891 -0.079 25156 424 1 . 1 1 119 119 TYR N N 119 119.385 119.385 119.070 0.315 25156 425 1 . 1 1 119 119 TYR HA H 119 4.350 4.350 4.240 0.110 25156 426 1 . 1 1 119 119 TYR CA C 119 61.300 61.300 61.207 0.093 25156 427 1 . 1 1 119 119 TYR CB C 119 37.200 37.200 38.370 -1.170 25156 428 1 . 1 1 119 119 TYR H H 119 8.213 8.213 7.849 0.364 25156 429 1 . 1 1 120 120 ASN N N 120 116.665 116.665 118.303 -1.638 25156 430 1 . 1 1 120 120 ASN HA H 120 4.150 4.150 4.226 -0.076 25156 431 1 . 1 1 120 120 ASN CA C 120 56.200 56.200 55.886 0.314 25156 432 1 . 1 1 120 120 ASN CB C 120 37.500 37.500 38.215 -0.715 25156 433 1 . 1 1 120 120 ASN H H 120 8.592 8.592 8.052 0.540 25156 434 1 . 1 1 121 121 MET N N 121 118.788 118.788 118.741 0.047 25156 435 1 . 1 1 121 121 MET HA H 121 4.250 4.250 4.100 0.150 25156 436 1 . 1 1 121 121 MET CA C 121 59.500 59.500 58.229 1.271 25156 437 1 . 1 1 121 121 MET CB C 121 33.800 33.800 32.009 1.792 25156 438 1 . 1 1 121 121 MET H H 121 7.900 7.900 7.721 0.179 25156 439 1 . 1 1 122 122 MET N N 122 118.670 118.670 118.916 -0.246 25156 440 1 . 1 1 122 122 MET HA H 122 3.950 3.950 3.901 0.049 25156 441 1 . 1 1 122 122 MET CA C 122 60.300 60.300 58.665 1.634 25156 442 1 . 1 1 122 122 MET CB C 122 33.400 33.400 32.221 1.179 25156 443 1 . 1 1 122 122 MET H H 122 7.813 7.813 7.584 0.229 25156 444 1 . 1 1 123 123 LEU N N 123 118.865 118.865 118.741 0.124 25156 445 1 . 1 1 123 123 LEU HA H 123 3.910 3.910 3.910 -0.000 25156 446 1 . 1 1 123 123 LEU CA C 123 57.500 57.500 57.907 -0.407 25156 447 1 . 1 1 123 123 LEU CB C 123 41.500 41.500 41.610 -0.110 25156 448 1 . 1 1 123 123 LEU H H 123 7.941 7.941 7.312 0.629 25156 449 1 . 1 1 124 124 GLU N N 124 121.088 121.088 118.988 2.100 25156 450 1 . 1 1 124 124 GLU HA H 124 3.950 3.950 4.025 -0.075 25156 451 1 . 1 1 124 124 GLU CA C 124 59.300 59.300 59.086 0.214 25156 452 1 . 1 1 124 124 GLU CB C 124 29.000 29.000 29.644 -0.644 25156 453 1 . 1 1 124 124 GLU H H 124 8.398 8.398 7.626 0.772 25156 454 1 . 1 1 125 125 VAL N N 125 112.092 112.092 119.214 -7.122 25156 455 1 . 1 1 125 125 VAL HA H 125 4.000 4.000 3.636 0.364 25156 456 1 . 1 1 125 125 VAL CA C 125 63.100 63.100 65.180 -2.080 25156 457 1 . 1 1 125 125 VAL CB C 125 31.200 31.200 30.481 0.719 25156 458 1 . 1 1 125 125 VAL H H 125 7.682 7.682 8.438 -0.756 25156 459 1 . 1 1 126 126 SER N N 126 116.396 116.396 116.130 0.266 25156 460 1 . 1 1 126 126 SER CA C 126 63.300 63.300 61.466 1.834 25156 461 1 . 1 1 126 126 SER CB C 126 62.800 62.800 62.451 0.349 25156 462 1 . 1 1 126 126 SER H H 126 7.410 7.410 7.546 -0.136 25156 463 1 . 1 1 127 127 GLY N N 127 107.199 107.199 109.981 -2.782 25156 464 1 . 1 1 127 127 GLY CA C 127 48.100 48.100 47.247 0.853 25156 465 1 . 1 1 127 127 GLY H H 127 7.321 7.321 8.066 -0.745 25156 466 1 . 1 1 128 128 PRO HA H 128 4.310 4.310 4.194 0.116 25156 467 1 . 1 1 128 128 PRO CA C 128 64.800 64.800 65.635 -0.835 25156 468 1 . 1 1 128 128 PRO CB C 128 32.000 32.000 31.428 0.572 25156 469 1 . 1 1 129 129 LEU N N 129 113.172 113.172 116.303 -3.131 25156 470 1 . 1 1 129 129 LEU HA H 129 3.900 3.900 4.021 -0.121 25156 471 1 . 1 1 129 129 LEU CA C 129 57.400 57.400 57.670 -0.270 25156 472 1 . 1 1 129 129 LEU CB C 129 41.000 41.000 41.572 -0.572 25156 473 1 . 1 1 129 129 LEU H H 129 6.913 6.913 7.801 -0.888 25156 474 1 . 1 1 130 130 GLU N N 130 121.331 121.331 119.487 1.844 25156 475 1 . 1 1 130 130 GLU HA H 130 4.120 4.120 4.074 0.046 25156 476 1 . 1 1 130 130 GLU CA C 130 59.300 59.300 59.174 0.126 25156 477 1 . 1 1 130 130 GLU CB C 130 28.500 28.500 29.484 -0.985 25156 478 1 . 1 1 130 130 GLU H H 130 8.203 8.203 8.119 0.084 25156 479 1 . 1 1 131 131 GLU HA H 131 3.970 3.970 4.089 -0.119 25156 480 1 . 1 1 131 131 GLU CA C 131 58.500 58.500 58.702 -0.202 25156 481 1 . 1 1 131 131 GLU CB C 131 29.200 29.200 29.472 -0.272 25156 482 1 . 1 1 132 132 LEU N N 132 115.804 115.804 119.298 -3.494 25156 483 1 . 1 1 132 132 LEU HA H 132 3.910 3.910 4.061 -0.151 25156 484 1 . 1 1 132 132 LEU CA C 132 53.100 53.100 54.873 -1.773 25156 485 1 . 1 1 132 132 LEU CB C 132 41.200 41.200 42.394 -1.194 25156 486 1 . 1 1 132 132 LEU H H 132 6.977 6.977 7.486 -0.510 25156 487 1 . 1 1 133 133 GLY N N 133 105.653 105.653 106.040 -0.387 25156 488 1 . 1 1 133 133 GLY CA C 133 45.100 45.100 44.881 0.219 25156 489 1 . 1 1 133 133 GLY H H 133 7.484 7.484 7.617 -0.133 25156 490 1 . 1 1 134 134 VAL CA C 134 62.900 62.900 62.159 0.742 25156 491 1 . 1 1 134 134 VAL CB C 134 31.800 31.800 32.667 -0.867 25156 492 1 . 1 1 137 137 MET CA C 137 58.100 58.100 56.153 1.947 25156 493 1 . 1 1 138 138 THR N N 138 115.359 115.359 114.954 0.405 25156 494 1 . 1 1 138 138 THR CA C 138 67.100 67.100 65.494 1.606 25156 495 1 . 1 1 138 138 THR H H 138 9.225 9.225 8.349 0.876 25156 496 1 . 1 1 139 139 LYS N N 139 123.109 123.109 120.825 2.284 25156 497 1 . 1 1 139 139 LYS HA H 139 4.200 4.200 4.079 0.121 25156 498 1 . 1 1 139 139 LYS CA C 139 57.900 57.900 59.784 -1.884 25156 499 1 . 1 1 139 139 LYS CB C 139 31.600 31.600 32.006 -0.406 25156 500 1 . 1 1 139 139 LYS H H 139 8.172 8.172 8.055 0.117 25156 501 1 . 1 1 140 140 THR N N 140 115.472 115.472 116.164 -0.692 25156 502 1 . 1 1 140 140 THR HA H 140 4.000 4.000 4.095 -0.095 25156 503 1 . 1 1 140 140 THR CA C 140 67.000 67.000 66.237 0.763 25156 504 1 . 1 1 140 140 THR CB C 140 68.200 68.200 68.455 -0.255 25156 505 1 . 1 1 140 140 THR H H 140 8.063 8.063 7.856 0.207 25156 506 1 . 1 1 141 141 VAL N N 141 121.319 121.319 121.216 0.103 25156 507 1 . 1 1 141 141 VAL HA H 141 3.630 3.630 3.722 -0.092 25156 508 1 . 1 1 141 141 VAL CA C 141 67.200 67.200 66.451 0.749 25156 509 1 . 1 1 141 141 VAL CB C 141 31.500 31.500 31.317 0.183 25156 510 1 . 1 1 141 141 VAL H H 141 7.753 7.753 7.589 0.163 25156 511 1 . 1 1 142 142 THR N N 142 114.753 114.753 116.544 -1.791 25156 512 1 . 1 1 142 142 THR HA H 142 4.380 4.380 4.212 0.168 25156 513 1 . 1 1 142 142 THR CA C 142 65.900 65.900 66.568 -0.668 25156 514 1 . 1 1 142 142 THR CB C 142 67.800 67.800 68.480 -0.680 25156 515 1 . 1 1 142 142 THR H H 142 8.965 8.965 8.251 0.714 25156 516 1 . 1 1 143 143 ASP N N 143 123.699 123.699 122.091 1.608 25156 517 1 . 1 1 143 143 ASP HA H 143 4.410 4.410 4.398 0.012 25156 518 1 . 1 1 143 143 ASP CA C 143 56.800 56.800 57.103 -0.303 25156 519 1 . 1 1 143 143 ASP CB C 143 39.000 39.000 40.371 -1.371 25156 520 1 . 1 1 143 143 ASP H H 143 9.254 9.254 8.452 0.802 25156 521 1 . 1 1 144 144 ALA N N 144 122.856 122.856 121.882 0.974 25156 522 1 . 1 1 144 144 ALA HA H 144 4.340 4.340 4.093 0.247 25156 523 1 . 1 1 144 144 ALA CA C 144 54.700 54.700 54.847 -0.147 25156 524 1 . 1 1 144 144 ALA CB C 144 19.200 19.200 18.521 0.679 25156 525 1 . 1 1 144 144 ALA H H 144 7.668 7.668 7.628 0.040 25156 526 1 . 1 1 145 145 ALA N N 145 119.307 119.307 119.711 -0.404 25156 527 1 . 1 1 145 145 ALA HA H 145 4.540 4.540 4.209 0.331 25156 528 1 . 1 1 145 145 ALA CA C 145 52.700 52.700 54.398 -1.698 25156 529 1 . 1 1 145 145 ALA CB C 145 18.200 18.200 18.367 -0.167 25156 530 1 . 1 1 145 145 ALA H H 145 7.718 7.718 7.703 0.015 25156 531 1 . 1 1 146 146 GLU N N 146 115.837 115.837 118.103 -2.266 25156 532 1 . 1 1 146 146 GLU HA H 146 4.190 4.190 4.012 0.178 25156 533 1 . 1 1 146 146 GLU CA C 146 57.300 57.300 58.796 -1.496 25156 534 1 . 1 1 146 146 GLU CB C 146 29.100 29.100 29.464 -0.364 25156 535 1 . 1 1 146 146 GLU H H 146 7.491 7.491 7.849 -0.358 25156 536 1 . 1 1 147 147 GLN N N 147 115.066 115.066 116.905 -1.839 25156 537 1 . 1 1 147 147 GLN HA H 147 4.200 4.200 4.195 0.005 25156 538 1 . 1 1 147 147 GLN CA C 147 55.300 55.300 56.603 -1.303 25156 539 1 . 1 1 147 147 GLN CB C 147 30.100 30.100 29.494 0.606 25156 540 1 . 1 1 147 147 GLN H H 147 7.248 7.248 7.649 -0.401 25156 541 1 . 1 1 148 148 HIS N N 148 119.398 119.398 118.880 0.518 25156 542 1 . 1 1 148 148 HIS HA H 148 5.000 5.000 4.670 0.330 25156 543 1 . 1 1 148 148 HIS CA C 148 52.500 52.500 54.015 -1.515 25156 544 1 . 1 1 148 148 HIS CB C 148 31.600 31.600 29.205 2.395 25156 545 1 . 1 1 148 148 HIS H H 148 7.747 7.747 7.581 0.166 25156 546 1 . 1 1 149 149 PRO HA H 149 4.470 4.470 4.397 0.073 25156 547 1 . 1 1 149 149 PRO CA C 149 62.300 62.300 63.775 -1.475 25156 548 1 . 1 1 149 149 PRO CB C 149 32.300 32.300 32.004 0.296 25156 549 1 . 1 1 150 150 THR N N 150 108.042 108.042 117.412 -9.370 25156 550 1 . 1 1 150 150 THR HA H 150 4.040 4.040 3.917 0.123 25156 551 1 . 1 1 150 150 THR CA C 150 60.700 60.700 64.116 -3.416 25156 552 1 . 1 1 150 150 THR CB C 150 68.400 68.400 68.192 0.208 25156 553 1 . 1 1 150 150 THR H H 150 7.864 7.864 8.407 -0.543 25156 554 1 . 1 1 151 151 THR N N 151 134.400 134.400 111.988 22.412 25156 555 1 . 1 1 151 151 THR HA H 151 4.550 4.550 4.182 0.368 25156 556 1 . 1 1 151 151 THR CA C 151 60.400 60.400 61.717 -1.317 25156 557 1 . 1 1 151 151 THR CB C 151 68.900 68.900 68.632 0.268 25156 558 1 . 1 1 151 151 THR H H 151 6.900 6.900 7.971 -1.071 25156 559 1 . 1 1 152 152 THR N N 152 108.396 108.396 114.288 -5.892 25156 560 1 . 1 1 152 152 THR HA H 152 4.290 4.290 4.481 -0.191 25156 561 1 . 1 1 152 152 THR CA C 152 57.700 57.700 60.145 -2.445 25156 562 1 . 1 1 152 152 THR CB C 152 71.500 71.500 70.386 1.114 25156 563 1 . 1 1 152 152 THR H H 152 7.104 7.104 7.597 -0.493 25156 564 1 . 1 1 153 153 ALA N N 153 122.816 122.816 123.029 -0.213 25156 565 1 . 1 1 153 153 ALA HA H 153 3.030 3.030 3.939 -0.909 25156 566 1 . 1 1 153 153 ALA CA C 153 54.700 54.700 55.738 -1.038 25156 567 1 . 1 1 153 153 ALA CB C 153 18.800 18.800 18.209 0.591 25156 568 1 . 1 1 153 153 ALA H H 153 7.580 7.580 8.564 -0.984 25156 569 1 . 1 1 154 154 GLU N N 154 113.788 113.788 118.129 -4.341 25156 570 1 . 1 1 154 154 GLU HA H 154 3.740 3.740 4.179 -0.439 25156 571 1 . 1 1 154 154 GLU CA C 154 59.800 59.800 58.019 1.781 25156 572 1 . 1 1 154 154 GLU CB C 154 28.300 28.300 29.309 -1.009 25156 573 1 . 1 1 154 154 GLU H H 154 8.544 8.544 8.643 -0.099 25156 574 1 . 1 1 155 155 GLY N N 155 108.136 108.136 109.274 -1.138 25156 575 1 . 1 1 155 155 GLY CA C 155 46.900 46.900 47.074 -0.174 25156 576 1 . 1 1 155 155 GLY H H 155 7.973 7.973 7.788 0.185 25156 577 1 . 1 1 156 156 ILE N N 156 119.992 119.992 122.775 -2.783 25156 578 1 . 1 1 156 156 ILE HA H 156 3.700 3.700 3.659 0.041 25156 579 1 . 1 1 156 156 ILE CA C 156 61.400 61.400 65.273 -3.873 25156 580 1 . 1 1 156 156 ILE CB C 156 34.700 34.700 37.782 -3.082 25156 581 1 . 1 1 156 156 ILE H H 156 7.688 7.688 8.593 -0.905 25156 582 1 . 1 1 157 157 LEU N N 157 118.638 118.638 119.085 -0.447 25156 583 1 . 1 1 157 157 LEU HA H 157 3.890 3.890 3.912 -0.022 25156 584 1 . 1 1 157 157 LEU CA C 157 58.100 58.100 58.033 0.067 25156 585 1 . 1 1 157 157 LEU CB C 157 40.700 40.700 41.275 -0.575 25156 586 1 . 1 1 157 157 LEU H H 157 8.535 8.535 7.583 0.952 25156 587 1 . 1 1 158 158 GLU N N 158 119.400 119.400 118.881 0.519 25156 588 1 . 1 1 158 158 GLU HA H 158 3.960 3.960 4.065 -0.105 25156 589 1 . 1 1 158 158 GLU CA C 158 58.200 58.200 58.964 -0.764 25156 590 1 . 1 1 158 158 GLU CB C 158 27.100 27.100 29.921 -2.821 25156 591 1 . 1 1 158 158 GLU H H 158 7.606 7.606 7.742 -0.136 25156 592 1 . 1 1 159 159 ILE N N 159 122.226 122.226 120.354 1.872 25156 593 1 . 1 1 159 159 ILE HA H 159 3.470 3.470 3.599 -0.129 25156 594 1 . 1 1 159 159 ILE CA C 159 66.000 66.000 64.525 1.475 25156 595 1 . 1 1 159 159 ILE CB C 159 38.500 38.500 37.574 0.926 25156 596 1 . 1 1 159 159 ILE H H 159 8.285 8.285 8.602 -0.317 25156 597 1 . 1 1 160 160 ALA N N 160 121.722 121.722 122.683 -0.961 25156 598 1 . 1 1 160 160 ALA HA H 160 3.900 3.900 3.935 -0.035 25156 599 1 . 1 1 160 160 ALA CA C 160 55.000 55.000 54.988 0.012 25156 600 1 . 1 1 160 160 ALA CB C 160 17.900 17.900 17.971 -0.071 25156 601 1 . 1 1 160 160 ALA H H 160 9.171 9.171 8.187 0.984 25156 602 1 . 1 1 161 161 LYS N N 161 117.720 117.720 118.543 -0.823 25156 603 1 . 1 1 161 161 LYS HA H 161 3.870 3.870 3.977 -0.107 25156 604 1 . 1 1 161 161 LYS CA C 161 59.500 59.500 59.407 0.093 25156 605 1 . 1 1 161 161 LYS CB C 161 31.600 31.600 32.223 -0.623 25156 606 1 . 1 1 161 161 LYS H H 161 7.661 7.661 7.653 0.008 25156 607 1 . 1 1 162 162 ILE N N 162 122.241 122.241 119.537 2.704 25156 608 1 . 1 1 162 162 ILE HA H 162 3.710 3.710 3.768 -0.058 25156 609 1 . 1 1 162 162 ILE CA C 162 65.100 65.100 64.457 0.643 25156 610 1 . 1 1 162 162 ILE CB C 162 38.100 38.100 38.064 0.036 25156 611 1 . 1 1 162 162 ILE H H 162 7.587 7.587 7.580 0.007 25156 612 1 . 1 1 163 163 MET N N 163 120.758 120.758 118.540 2.219 25156 613 1 . 1 1 163 163 MET HA H 163 3.790 3.790 4.013 -0.223 25156 614 1 . 1 1 163 163 MET CA C 163 60.200 60.200 59.221 0.979 25156 615 1 . 1 1 163 163 MET CB C 163 32.200 32.200 32.475 -0.275 25156 616 1 . 1 1 163 163 MET H H 163 8.581 8.581 7.534 1.047 25156 617 1 . 1 1 164 164 LYS N N 164 118.723 118.723 118.857 -0.134 25156 618 1 . 1 1 164 164 LYS HA H 164 3.750 3.750 3.955 -0.205 25156 619 1 . 1 1 164 164 LYS CA C 164 60.300 60.300 59.963 0.337 25156 620 1 . 1 1 164 164 LYS CB C 164 31.800 31.800 32.251 -0.451 25156 621 1 . 1 1 164 164 LYS H H 164 9.221 9.221 8.344 0.877 25156 622 1 . 1 1 165 165 THR N N 165 115.639 115.639 115.030 0.609 25156 623 1 . 1 1 165 165 THR HA H 165 4.270 4.270 4.000 0.270 25156 624 1 . 1 1 165 165 THR CA C 165 66.400 66.400 66.685 -0.285 25156 625 1 . 1 1 165 165 THR CB C 165 68.200 68.200 68.478 -0.278 25156 626 1 . 1 1 165 165 THR H H 165 8.336 8.336 7.589 0.747 25156 627 1 . 1 1 166 166 LYS N N 166 121.525 121.525 122.026 -0.501 25156 628 1 . 1 1 166 166 LYS HA H 166 4.170 4.170 4.126 0.044 25156 629 1 . 1 1 166 166 LYS CA C 166 58.800 58.800 59.208 -0.408 25156 630 1 . 1 1 166 166 LYS CB C 166 30.600 30.600 32.079 -1.479 25156 631 1 . 1 1 166 166 LYS H H 166 7.357 7.357 7.626 -0.269 25156 632 1 . 1 1 167 167 LEU N N 167 117.600 117.600 120.047 -2.447 25156 633 1 . 1 1 167 167 LEU HA H 167 3.890 3.890 4.027 -0.137 25156 634 1 . 1 1 167 167 LEU CA C 167 58.100 58.100 58.396 -0.296 25156 635 1 . 1 1 167 167 LEU CB C 167 42.000 42.000 41.745 0.255 25156 636 1 . 1 1 167 167 LEU H H 167 8.090 8.090 7.675 0.415 25156 637 1 . 1 1 168 168 GLN N N 168 117.484 117.484 117.193 0.291 25156 638 1 . 1 1 168 168 GLN HA H 168 4.110 4.110 4.173 -0.063 25156 639 1 . 1 1 168 168 GLN CA C 168 58.300 58.300 58.348 -0.048 25156 640 1 . 1 1 168 168 GLN CB C 168 27.600 27.600 28.683 -1.083 25156 641 1 . 1 1 168 168 GLN H H 168 8.793 8.793 7.904 0.889 25156 642 1 . 1 1 169 169 ARG N N 169 121.344 121.344 120.954 0.390 25156 643 1 . 1 1 169 169 ARG HA H 169 4.230 4.230 4.055 0.175 25156 644 1 . 1 1 169 169 ARG CA C 169 59.400 59.400 59.809 -0.408 25156 645 1 . 1 1 169 169 ARG CB C 169 29.100 29.100 30.357 -1.257 25156 646 1 . 1 1 169 169 ARG H H 169 8.051 8.051 8.009 0.042 25156 647 1 . 1 1 170 170 VAL N N 170 120.397 120.397 118.031 2.366 25156 648 1 . 1 1 170 170 VAL HA H 170 3.760 3.760 3.693 0.067 25156 649 1 . 1 1 170 170 VAL CA C 170 66.300 66.300 66.482 -0.182 25156 650 1 . 1 1 170 170 VAL CB C 170 31.600 31.600 31.418 0.182 25156 651 1 . 1 1 170 170 VAL H H 170 7.911 7.911 8.169 -0.258 25156 652 1 . 1 1 171 171 HIS N N 171 122.970 122.970 119.150 3.820 25156 653 1 . 1 1 171 171 HIS HA H 171 4.010 4.010 4.330 -0.320 25156 654 1 . 1 1 171 171 HIS CA C 171 60.300 60.300 60.229 0.071 25156 655 1 . 1 1 171 171 HIS CB C 171 29.600 29.600 29.989 -0.388 25156 656 1 . 1 1 171 171 HIS H H 171 9.281 9.281 7.787 1.494 25156 657 1 . 1 1 172 172 THR N N 172 115.729 115.729 116.036 -0.307 25156 658 1 . 1 1 172 172 THR HA H 172 4.360 4.360 4.054 0.306 25156 659 1 . 1 1 172 172 THR CA C 172 67.100 67.100 66.938 0.162 25156 660 1 . 1 1 172 172 THR CB C 172 68.600 68.600 68.611 -0.011 25156 661 1 . 1 1 172 172 THR H H 172 8.977 8.977 8.371 0.606 25156 662 1 . 1 1 173 173 LYS N N 173 119.978 119.978 121.398 -1.420 25156 663 1 . 1 1 173 173 LYS HA H 173 4.200 4.200 3.988 0.212 25156 664 1 . 1 1 173 173 LYS CA C 173 59.500 59.500 59.549 -0.049 25156 665 1 . 1 1 173 173 LYS CB C 173 32.100 32.100 32.406 -0.306 25156 666 1 . 1 1 173 173 LYS H H 173 7.959 7.959 8.138 -0.179 25156 667 1 . 1 1 174 174 ASN N N 174 116.606 116.606 117.875 -1.269 25156 668 1 . 1 1 174 174 ASN HA H 174 4.450 4.450 4.443 0.007 25156 669 1 . 1 1 174 174 ASN CA C 174 57.500 57.500 55.649 1.851 25156 670 1 . 1 1 174 174 ASN CB C 174 40.000 40.000 38.124 1.876 25156 671 1 . 1 1 174 174 ASN H H 174 7.640 7.640 7.929 -0.289 25156 672 1 . 1 1 175 175 TYR N N 175 122.163 122.163 121.779 0.384 25156 673 1 . 1 1 175 175 TYR HA H 175 4.030 4.030 4.127 -0.098 25156 674 1 . 1 1 175 175 TYR CA C 175 61.100 61.100 61.499 -0.399 25156 675 1 . 1 1 175 175 TYR CB C 175 38.000 38.000 38.245 -0.245 25156 676 1 . 1 1 175 175 TYR H H 175 9.079 9.079 8.266 0.813 25156 677 1 . 1 1 176 176 CYS N N 176 116.655 116.655 116.932 -0.277 25156 678 1 . 1 1 176 176 CYS HA H 176 4.740 4.740 4.132 0.608 25156 679 1 . 1 1 176 176 CYS CA C 176 58.800 58.800 61.299 -2.499 25156 680 1 . 1 1 176 176 CYS CB C 176 39.300 39.300 25.849 13.451 25156 681 1 . 1 1 176 176 CYS H H 176 8.799 8.799 7.888 0.911 25156 682 1 . 1 1 177 177 ALA N N 177 120.661 120.661 121.626 -0.965 25156 683 1 . 1 1 177 177 ALA HA H 177 4.080 4.080 4.112 -0.032 25156 684 1 . 1 1 177 177 ALA CA C 177 54.500 54.500 54.460 0.040 25156 685 1 . 1 1 177 177 ALA CB C 177 18.800 18.800 18.432 0.368 25156 686 1 . 1 1 177 177 ALA H H 177 7.337 7.337 7.921 -0.584 25156 687 1 . 1 1 178 178 LEU N N 178 120.820 120.820 120.142 0.678 25156 688 1 . 1 1 178 178 LEU HA H 178 3.850 3.850 3.878 -0.028 25156 689 1 . 1 1 178 178 LEU CA C 178 57.500 57.500 57.724 -0.224 25156 690 1 . 1 1 178 178 LEU CB C 178 41.700 41.700 40.897 0.803 25156 691 1 . 1 1 178 178 LEU H H 178 8.075 8.075 7.226 0.849 25156 692 1 . 1 1 179 179 GLU N N 179 117.503 117.503 117.245 0.258 25156 693 1 . 1 1 179 179 GLU HA H 179 3.510 3.510 3.718 -0.208 25156 694 1 . 1 1 179 179 GLU CA C 179 57.900 57.900 58.417 -0.517 25156 695 1 . 1 1 179 179 GLU CB C 179 26.400 26.400 28.512 -2.112 25156 696 1 . 1 1 179 179 GLU H H 179 8.066 8.066 7.289 0.777 25156 697 1 . 1 1 180 180 LYS N N 180 118.823 118.823 119.591 -0.768 25156 698 1 . 1 1 180 180 LYS HA H 180 4.270 4.270 4.238 0.032 25156 699 1 . 1 1 180 180 LYS CA C 180 57.300 57.300 58.970 -1.670 25156 700 1 . 1 1 180 180 LYS CB C 180 32.000 32.000 32.315 -0.315 25156 701 1 . 1 1 180 180 LYS H H 180 7.424 7.424 7.491 -0.067 25156 702 1 . 1 1 181 181 LYS N N 181 118.403 118.403 118.061 0.342 25156 703 1 . 1 1 181 181 LYS HA H 181 3.990 3.990 4.046 -0.056 25156 704 1 . 1 1 181 181 LYS CA C 181 57.900 57.900 58.722 -0.822 25156 705 1 . 1 1 181 181 LYS CB C 181 31.600 31.600 32.337 -0.737 25156 706 1 . 1 1 181 181 LYS H H 181 7.381 7.381 7.675 -0.294 25156 707 1 . 1 1 182 182 LYS N N 182 116.472 116.472 117.173 -0.701 25156 708 1 . 1 1 182 182 LYS HA H 182 4.030 4.030 4.121 -0.091 25156 709 1 . 1 1 182 182 LYS CA C 182 57.900 57.900 57.694 0.206 25156 710 1 . 1 1 182 182 LYS CB C 182 32.700 32.700 32.988 -0.287 25156 711 1 . 1 1 182 182 LYS H H 182 7.374 7.374 7.609 -0.235 25156 712 1 . 1 1 183 183 ASN N N 183 114.082 114.082 113.809 0.272 25156 713 1 . 1 1 183 183 ASN HA H 183 5.050 5.050 5.035 0.015 25156 714 1 . 1 1 183 183 ASN CA C 183 49.700 49.700 51.532 -1.832 25156 715 1 . 1 1 183 183 ASN CB C 183 39.100 39.100 39.337 -0.237 25156 716 1 . 1 1 183 183 ASN H H 183 7.643 7.643 7.675 -0.032 25156 717 1 . 1 1 184 184 PRO HA H 184 4.600 4.600 4.410 0.190 25156 718 1 . 1 1 184 184 PRO CA C 184 64.100 64.100 64.729 -0.629 25156 719 1 . 1 1 184 184 PRO CB C 184 31.900 31.900 31.877 0.023 25156 720 1 . 1 1 185 185 ASN N N 185 114.209 114.209 114.683 -0.475 25156 721 1 . 1 1 185 185 ASN HA H 185 4.820 4.820 4.608 0.212 25156 722 1 . 1 1 185 185 ASN CA C 185 52.600 52.600 53.279 -0.679 25156 723 1 . 1 1 185 185 ASN CB C 185 38.300 38.300 37.879 0.421 25156 724 1 . 1 1 185 185 ASN H H 185 7.866 7.866 8.230 -0.364 25156 725 1 . 1 1 186 186 PHE N N 186 122.429 122.429 122.879 -0.450 25156 726 1 . 1 1 186 186 PHE HA H 186 4.350 4.350 4.375 -0.025 25156 727 1 . 1 1 186 186 PHE CA C 186 58.800 58.800 58.914 -0.114 25156 728 1 . 1 1 186 186 PHE CB C 186 39.600 39.600 39.226 0.374 25156 729 1 . 1 1 186 186 PHE H H 186 8.035 8.035 7.671 0.364 25156 730 1 . 1 1 187 187 THR N N 187 120.308 120.308 120.334 -0.026 25156 731 1 . 1 1 187 187 THR HA H 187 4.110 4.110 4.183 -0.073 25156 732 1 . 1 1 187 187 THR CA C 187 59.700 59.700 61.055 -1.355 25156 733 1 . 1 1 187 187 THR CB C 187 70.400 70.400 70.638 -0.238 25156 734 1 . 1 1 187 187 THR H H 187 7.687 7.687 7.765 -0.078 25156 735 1 . 1 1 188 188 ASP N N 188 122.010 122.010 123.290 -1.280 25156 736 1 . 1 1 188 188 ASP HA H 188 4.380 4.380 4.605 -0.225 25156 737 1 . 1 1 188 188 ASP CA C 188 54.000 54.000 53.326 0.674 25156 738 1 . 1 1 188 188 ASP CB C 188 45.000 45.000 42.410 2.590 25156 739 1 . 1 1 188 188 ASP H H 188 7.732 7.732 8.072 -0.340 25156 740 1 . 1 1 189 189 GLU N N 189 127.772 127.772 122.674 5.098 25156 741 1 . 1 1 189 189 GLU HA H 189 4.000 4.000 4.066 -0.066 25156 742 1 . 1 1 189 189 GLU CA C 189 58.900 58.900 58.462 0.438 25156 743 1 . 1 1 189 189 GLU CB C 189 28.900 28.900 29.840 -0.941 25156 744 1 . 1 1 189 189 GLU H H 189 9.002 9.002 8.651 0.351 25156 745 1 . 1 1 190 190 LYS N N 190 117.753 117.753 118.119 -0.366 25156 746 1 . 1 1 190 190 LYS HA H 190 4.230 4.230 4.153 0.077 25156 747 1 . 1 1 190 190 LYS CA C 190 57.600 57.600 57.332 0.268 25156 748 1 . 1 1 190 190 LYS CB C 190 31.900 31.900 32.608 -0.708 25156 749 1 . 1 1 190 190 LYS H H 190 9.144 9.144 8.227 0.917 25156 750 1 . 1 1 191 191 CYS N N 191 115.894 115.894 118.337 -2.443 25156 751 1 . 1 1 191 191 CYS HA H 191 4.970 4.970 4.532 0.438 25156 752 1 . 1 1 191 191 CYS CA C 191 52.800 52.800 58.341 -5.541 25156 753 1 . 1 1 191 191 CYS CB C 191 38.300 38.300 28.066 10.234 25156 754 1 . 1 1 191 191 CYS H H 191 7.999 7.999 7.627 0.371 25156 755 1 . 1 1 192 192 LYS N N 192 121.894 121.894 124.718 -2.824 25156 756 1 . 1 1 192 192 LYS HA H 192 4.290 4.290 4.201 0.089 25156 757 1 . 1 1 192 192 LYS CA C 192 56.600 56.600 56.446 0.153 25156 758 1 . 1 1 192 192 LYS CB C 192 32.600 32.600 33.177 -0.577 25156 759 1 . 1 1 192 192 LYS H H 192 7.718 7.718 8.369 -0.651 25156 760 1 . 1 1 193 193 ASN N N 193 118.976 118.976 121.365 -2.389 25156 761 1 . 1 1 193 193 ASN HA H 193 4.790 4.790 4.640 0.150 25156 762 1 . 1 1 193 193 ASN CA C 193 53.000 53.000 53.289 -0.289 25156 763 1 . 1 1 193 193 ASN CB C 193 38.500 38.500 38.510 -0.010 25156 764 1 . 1 1 193 193 ASN H H 193 8.497 8.497 8.482 0.015 25156 stop_ save_