data_19773 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19773 _Entry.PDB_ID 2MKF 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 19773 _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 -2 -2 LEU N N -2 122.671 122.671 119.852 2.819 19773 2 1 1 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.183 0.095 19773 3 1 1 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.648 -0.363 19773 4 1 1 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.330 -0.492 19773 5 1 1 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.714 0.984 19773 6 1 1 . 1 1 -1 -1 GLY N N -1 109.817 109.817 104.009 5.808 19773 7 1 1 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.225 0.873 19773 8 1 1 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.535 1.000 19773 9 1 1 . 1 1 75 75 LYS N N 75 122.983 122.983 119.720 3.263 19773 10 1 1 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.235 -0.019 19773 11 1 1 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.656 -0.285 19773 12 1 1 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.986 -0.498 19773 13 1 1 . 1 1 75 75 LYS H H 75 8.411 8.411 7.899 0.512 19773 14 1 1 . 1 1 76 76 ILE N N 76 122.749 122.749 121.741 1.008 19773 15 1 1 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.024 0.035 19773 16 1 1 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.179 0.002 19773 17 1 1 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.464 -0.093 19773 18 1 1 . 1 1 76 76 ILE H H 76 8.242 8.242 7.466 0.776 19773 19 1 1 . 1 1 77 77 ALA N N 77 127.358 127.358 130.546 -3.188 19773 20 1 1 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.253 -0.070 19773 21 1 1 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.917 0.692 19773 22 1 1 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.262 -0.450 19773 23 1 1 . 1 1 77 77 ALA H H 77 8.463 8.463 8.164 0.299 19773 24 1 1 . 1 1 78 78 GLN N N 78 119.077 119.077 121.760 -2.683 19773 25 1 1 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.285 -0.071 19773 26 1 1 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.803 -0.207 19773 27 1 1 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.311 -0.295 19773 28 1 1 . 1 1 78 78 GLN H H 78 8.359 8.359 8.347 0.012 19773 29 1 1 . 1 1 79 79 MET N N 79 121.781 121.781 121.382 0.399 19773 30 1 1 . 1 1 79 79 MET HA H 79 4.450 4.450 4.743 -0.293 19773 31 1 1 . 1 1 79 79 MET CA C 79 55.906 55.906 54.653 1.253 19773 32 1 1 . 1 1 79 79 MET CB C 79 34.019 34.019 32.930 1.089 19773 33 1 1 . 1 1 79 79 MET H H 79 8.360 8.360 8.208 0.152 19773 34 1 1 . 1 1 83 83 GLU N N 83 120.249 120.249 121.644 -1.395 19773 35 1 1 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.106 -0.050 19773 36 1 1 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.812 -0.011 19773 37 1 1 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.171 0.144 19773 38 1 1 . 1 1 83 83 GLU H H 83 8.776 8.776 8.685 0.091 19773 39 1 1 . 1 1 84 84 GLN N N 84 119.958 119.958 119.933 0.025 19773 40 1 1 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.091 -0.106 19773 41 1 1 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.406 -0.498 19773 42 1 1 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.663 -0.274 19773 43 1 1 . 1 1 84 84 GLN H H 84 8.037 8.037 7.800 0.237 19773 44 1 1 . 1 1 85 85 PHE N N 85 121.733 121.733 120.819 0.914 19773 45 1 1 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.092 0.213 19773 46 1 1 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.412 -1.156 19773 47 1 1 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.859 -0.143 19773 48 1 1 . 1 1 85 85 PHE H H 85 8.652 8.652 8.600 0.052 19773 49 1 1 . 1 1 86 86 ALA N N 86 121.811 121.811 122.110 -0.299 19773 50 1 1 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.933 0.119 19773 51 1 1 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.112 -0.797 19773 52 1 1 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.146 -0.072 19773 53 1 1 . 1 1 86 86 ALA H H 86 8.209 8.209 7.878 0.331 19773 54 1 1 . 1 1 87 87 LEU N N 87 119.780 119.780 118.928 0.852 19773 55 1 1 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.884 0.253 19773 56 1 1 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.498 -0.672 19773 57 1 1 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.535 0.070 19773 58 1 1 . 1 1 87 87 LEU H H 87 7.877 7.877 7.915 -0.038 19773 59 1 1 . 1 1 88 88 ALA N N 88 122.593 122.593 122.654 -0.061 19773 60 1 1 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.925 0.127 19773 61 1 1 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.166 -1.145 19773 62 1 1 . 1 1 88 88 ALA CB C 88 17.768 17.768 17.971 -0.203 19773 63 1 1 . 1 1 88 88 ALA H H 88 8.020 8.020 7.932 0.088 19773 64 1 1 . 1 1 89 89 LEU N N 89 120.028 120.028 119.654 0.374 19773 65 1 1 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.972 0.080 19773 66 1 1 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.801 -1.299 19773 67 1 1 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.473 0.065 19773 68 1 1 . 1 1 89 89 LEU H H 89 8.021 8.021 7.577 0.444 19773 69 1 1 . 1 1 90 90 LYS N N 90 120.483 120.483 118.673 1.810 19773 70 1 1 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.963 0.185 19773 71 1 1 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.058 -1.501 19773 72 1 1 . 1 1 90 90 LYS CB C 90 32.215 32.215 31.913 0.302 19773 73 1 1 . 1 1 90 90 LYS H H 90 7.896 7.896 7.713 0.183 19773 74 1 1 . 1 1 91 91 MET N N 91 119.156 119.156 119.653 -0.497 19773 75 1 1 . 1 1 91 91 MET HA H 91 4.291 4.291 4.179 0.112 19773 76 1 1 . 1 1 91 91 MET CA C 91 56.541 56.541 57.571 -1.030 19773 77 1 1 . 1 1 91 91 MET H H 91 8.320 8.320 8.614 -0.294 19773 78 1 1 . 1 1 92 92 SER N N 92 116.382 116.382 115.602 0.780 19773 79 1 1 . 1 1 92 92 SER HA H 92 4.291 4.291 4.096 0.195 19773 80 1 1 . 1 1 92 92 SER CA C 92 59.584 59.584 61.825 -2.240 19773 81 1 1 . 1 1 92 92 SER CB C 92 63.074 63.074 62.125 0.949 19773 82 1 1 . 1 1 92 92 SER H H 92 8.297 8.297 8.335 -0.038 19773 83 1 1 . 1 1 93 93 GLU N N 93 122.202 122.202 121.761 0.441 19773 84 1 1 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.027 0.108 19773 85 1 1 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.980 -1.472 19773 86 1 1 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.075 0.538 19773 87 1 1 . 1 1 93 93 GLU H H 93 8.313 8.313 7.875 0.438 19773 88 1 1 . 1 1 94 94 GLN N N 94 119.546 119.546 118.017 1.529 19773 89 1 1 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.095 0.040 19773 90 1 1 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.133 -1.256 19773 91 1 1 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.642 0.184 19773 92 1 1 . 1 1 94 94 GLN H H 94 8.177 8.177 7.956 0.221 19773 93 1 1 . 1 1 95 95 GLU N N 95 121.030 121.030 116.046 4.984 19773 94 1 1 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.344 -0.278 19773 95 1 1 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.008 1.153 19773 96 1 1 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.939 -0.033 19773 97 1 1 . 1 1 95 95 GLU H H 95 8.281 8.281 7.963 0.318 19773 98 1 1 . 1 1 96 96 ALA N N 96 123.530 123.530 119.460 4.070 19773 99 1 1 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.917 0.266 19773 100 1 1 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.438 -0.679 19773 101 1 1 . 1 1 96 96 ALA CB C 96 18.405 18.405 16.775 1.630 19773 102 1 1 . 1 1 96 96 ALA H H 96 8.242 8.242 7.870 0.372 19773 103 1 1 . 1 1 97 97 ARG N N 97 119.624 119.624 118.780 0.844 19773 104 1 1 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.140 0.069 19773 105 1 1 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.782 -1.313 19773 106 1 1 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.063 -0.422 19773 107 1 1 . 1 1 97 97 ARG H H 97 8.131 8.131 8.091 0.040 19773 108 1 1 . 1 1 98 98 GLU N N 98 121.837 121.837 120.865 0.972 19773 109 1 1 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.296 -0.119 19773 110 1 1 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.200 0.331 19773 111 1 1 . 1 1 98 98 GLU CB C 98 29.665 29.665 28.273 1.392 19773 112 1 1 . 1 1 98 98 GLU H H 98 8.374 8.374 8.366 0.008 19773 113 1 1 . 1 1 99 99 VAL N N 99 121.265 121.265 122.682 -1.417 19773 114 1 1 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.194 -0.220 19773 115 1 1 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.477 1.026 19773 116 1 1 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.899 -0.442 19773 117 1 1 . 1 1 99 99 VAL H H 99 8.261 8.261 7.615 0.646 19773 118 1 1 . 1 1 100 100 ASN N N 100 122.280 122.280 121.759 0.521 19773 119 1 1 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.755 -0.037 19773 120 1 1 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.200 -0.083 19773 121 1 1 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.517 -0.748 19773 122 1 1 . 1 1 100 100 ASN H H 100 8.639 8.639 8.392 0.247 19773 123 1 1 . 1 1 101 101 SER N N 101 117.046 117.046 117.405 -0.359 19773 124 1 1 . 1 1 101 101 SER HA H 101 4.349 4.349 4.043 0.306 19773 125 1 1 . 1 1 101 101 SER CA C 101 58.970 58.970 61.616 -2.646 19773 126 1 1 . 1 1 101 101 SER CB C 101 63.397 63.397 63.246 0.151 19773 127 1 1 . 1 1 101 101 SER H H 101 8.542 8.542 8.899 -0.357 19773 128 1 1 . 1 1 102 102 GLN N N 102 122.514 122.514 117.914 4.600 19773 129 1 1 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.233 -0.030 19773 130 1 1 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.593 -1.423 19773 131 1 1 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.030 0.359 19773 132 1 1 . 1 1 102 102 GLN H H 102 8.594 8.594 8.412 0.182 19773 133 1 1 . 1 1 103 103 GLU N N 103 120.874 120.874 119.785 1.089 19773 134 1 1 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.094 -0.001 19773 135 1 1 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.099 -1.106 19773 136 1 1 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.718 0.771 19773 137 1 1 . 1 1 103 103 GLU H H 103 8.496 8.496 8.563 -0.067 19773 138 1 1 . 1 1 104 104 GLU N N 104 120.874 120.874 118.360 2.514 19773 139 1 1 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.039 0.083 19773 140 1 1 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.306 -1.459 19773 141 1 1 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.214 0.429 19773 142 1 1 . 1 1 104 104 GLU H H 104 8.379 8.379 8.388 -0.009 19773 143 1 1 . 1 1 105 105 GLU N N 105 121.421 121.421 118.474 2.947 19773 144 1 1 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.034 0.087 19773 145 1 1 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.175 -1.093 19773 146 1 1 . 1 1 105 105 GLU H H 105 8.437 8.437 7.850 0.587 19773 147 1 1 . 1 1 106 106 GLU N N 106 120.640 120.640 119.908 0.732 19773 148 1 1 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.027 -0.023 19773 149 1 1 . 1 1 106 106 GLU CA C 106 58.675 58.675 58.682 -0.007 19773 150 1 1 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.542 -0.221 19773 151 1 1 . 1 1 106 106 GLU H H 106 8.463 8.463 7.672 0.791 19773 152 1 1 . 1 1 107 107 GLU N N 107 120.249 120.249 120.132 0.117 19773 153 1 1 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.002 0.043 19773 154 1 1 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.258 -0.256 19773 155 1 1 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.365 -0.329 19773 156 1 1 . 1 1 107 107 GLU H H 107 8.385 8.385 7.988 0.397 19773 157 1 1 . 1 1 108 108 GLU N N 108 120.902 120.902 119.031 1.871 19773 158 1 1 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.024 0.104 19773 159 1 1 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.448 -1.046 19773 160 1 1 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.437 -0.617 19773 161 1 1 . 1 1 108 108 GLU H H 108 8.125 8.125 7.853 0.272 19773 162 1 1 . 1 1 109 109 LEU N N 109 120.327 120.327 119.989 0.338 19773 163 1 1 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.065 -0.071 19773 164 1 1 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.750 -0.290 19773 165 1 1 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.490 -0.005 19773 166 1 1 . 1 1 109 109 LEU H H 109 8.085 8.085 7.384 0.701 19773 167 1 1 . 1 1 110 110 LEU N N 110 121.108 121.108 119.675 1.433 19773 168 1 1 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.834 0.321 19773 169 1 1 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.240 -1.044 19773 170 1 1 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.389 0.083 19773 171 1 1 . 1 1 110 110 LEU H H 110 7.948 7.948 7.679 0.269 19773 172 1 1 . 1 1 111 111 ARG N N 111 119.390 119.390 118.929 0.461 19773 173 1 1 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.949 -0.047 19773 174 1 1 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.461 -0.448 19773 175 1 1 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.585 0.380 19773 176 1 1 . 1 1 111 111 ARG H H 111 8.111 8.111 8.124 -0.013 19773 177 1 1 . 1 1 112 112 LYS N N 112 120.418 120.418 120.217 0.201 19773 178 1 1 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.011 0.048 19773 179 1 1 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.520 -0.805 19773 180 1 1 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.255 0.188 19773 181 1 1 . 1 1 112 112 LYS H H 112 8.273 8.273 7.744 0.529 19773 182 1 1 . 1 1 113 113 ALA N N 113 122.758 122.758 122.984 -0.226 19773 183 1 1 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.138 0.031 19773 184 1 1 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.847 -0.554 19773 185 1 1 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.561 -0.508 19773 186 1 1 . 1 1 113 113 ALA H H 113 7.978 7.978 7.782 0.196 19773 187 1 1 . 1 1 114 114 ILE N N 114 120.171 120.171 119.833 0.338 19773 188 1 1 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.871 -0.105 19773 189 1 1 . 1 1 114 114 ILE CA C 114 63.420 63.420 63.797 -0.377 19773 190 1 1 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.756 0.322 19773 191 1 1 . 1 1 114 114 ILE H H 114 8.229 8.229 8.174 0.055 19773 192 1 1 . 1 1 115 115 ALA N N 115 123.999 123.999 122.663 1.336 19773 193 1 1 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.903 0.204 19773 194 1 1 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.557 -1.236 19773 195 1 1 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.989 0.065 19773 196 1 1 . 1 1 115 115 ALA H H 115 8.072 8.072 8.515 -0.443 19773 197 1 1 . 1 1 116 116 GLU N N 116 118.140 118.140 118.153 -0.013 19773 198 1 1 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.944 0.176 19773 199 1 1 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.243 -1.467 19773 200 1 1 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.649 -0.338 19773 201 1 1 . 1 1 116 116 GLU H H 116 8.313 8.313 8.230 0.083 19773 202 1 1 . 1 1 117 117 SER N N 117 115.640 115.640 115.405 0.235 19773 203 1 1 . 1 1 117 117 SER HA H 117 4.291 4.291 4.186 0.105 19773 204 1 1 . 1 1 117 117 SER CA C 117 59.647 59.647 61.324 -1.677 19773 205 1 1 . 1 1 117 117 SER CB C 117 63.022 63.022 63.281 -0.259 19773 206 1 1 . 1 1 117 117 SER H H 117 8.040 8.040 7.689 0.351 19773 207 1 1 . 1 1 118 118 LEU N N 118 122.593 122.593 119.795 2.798 19773 208 1 1 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.112 0.112 19773 209 1 1 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.816 -0.941 19773 210 1 1 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.145 -0.351 19773 211 1 1 . 1 1 118 118 LEU H H 118 7.968 7.968 7.964 0.004 19773 212 1 1 . 1 1 119 119 ASN N N 119 117.828 117.828 114.493 3.335 19773 213 1 1 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.707 -0.073 19773 214 1 1 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.011 -0.478 19773 215 1 1 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.774 -0.229 19773 216 1 1 . 1 1 119 119 ASN H H 119 8.183 8.183 7.708 0.475 19773 217 1 1 . 1 1 120 120 SER N N 120 115.484 115.484 115.809 -0.325 19773 218 1 1 . 1 1 120 120 SER HA H 120 4.332 4.332 4.489 -0.157 19773 219 1 1 . 1 1 120 120 SER CA C 120 58.417 58.417 58.190 0.228 19773 220 1 1 . 1 1 120 120 SER CB C 120 63.386 63.386 64.397 -1.011 19773 221 1 1 . 1 1 120 120 SER H H 120 8.183 8.183 7.616 0.567 19773 222 1 1 . 1 1 121 121 CYS N N 121 123.139 123.139 123.966 -0.827 19773 223 1 1 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.004 -3.106 19773 224 1 1 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.999 1.565 19773 225 1 1 . 1 1 121 121 CYS H H 121 8.450 8.450 8.330 0.120 19773 226 1 1 . 1 1 124 124 SER N N 124 116.031 116.031 118.593 -2.562 19773 227 1 1 . 1 1 124 124 SER HA H 124 4.311 4.311 4.330 -0.019 19773 228 1 1 . 1 1 124 124 SER CA C 124 58.360 58.360 58.600 -0.240 19773 229 1 1 . 1 1 124 124 SER CB C 124 63.486 63.486 63.729 -0.243 19773 230 1 1 . 1 1 124 124 SER H H 124 8.587 8.587 8.350 0.237 19773 231 1 1 . 1 1 125 125 ASP N N 125 122.514 122.514 125.653 -3.139 19773 232 1 1 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.713 -0.158 19773 233 1 1 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.725 0.291 19773 234 1 1 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.946 -1.082 19773 235 1 1 . 1 1 125 125 ASP H H 125 8.424 8.424 8.653 -0.229 19773 236 1 1 . 1 1 126 126 ALA N N 126 124.858 124.858 124.365 0.493 19773 237 1 1 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.128 0.095 19773 238 1 1 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.230 -1.475 19773 239 1 1 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.865 -0.170 19773 240 1 1 . 1 1 126 126 ALA H H 126 8.398 8.398 8.634 -0.236 19773 241 1 1 . 1 1 127 127 SER N N 127 114.781 114.781 113.977 0.804 19773 242 1 1 . 1 1 127 127 SER HA H 127 4.296 4.296 4.325 -0.029 19773 243 1 1 . 1 1 127 127 SER CA C 127 58.476 58.476 58.221 0.256 19773 244 1 1 . 1 1 127 127 SER CB C 127 63.408 63.408 62.883 0.526 19773 245 1 1 . 1 1 127 127 SER H H 127 8.398 8.398 7.877 0.521 19773 246 1 1 . 1 1 128 128 ALA N N 128 125.639 125.639 121.255 4.384 19773 247 1 1 . 1 1 128 128 ALA HA H 128 4.286 4.286 3.917 0.369 19773 248 1 1 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.227 -0.815 19773 249 1 1 . 1 1 128 128 ALA CB C 128 19.000 19.000 16.910 2.090 19773 250 1 1 . 1 1 128 128 ALA H H 128 8.261 8.261 7.656 0.605 19773 251 1 1 . 1 1 129 129 THR N N 129 113.687 113.687 112.502 1.185 19773 252 1 1 . 1 1 129 129 THR HA H 129 4.223 4.223 4.289 -0.066 19773 253 1 1 . 1 1 129 129 THR CA C 129 61.793 61.793 60.971 0.822 19773 254 1 1 . 1 1 129 129 THR CB C 129 69.378 69.378 70.038 -0.660 19773 255 1 1 . 1 1 129 129 THR H H 129 8.196 8.196 8.114 0.082 19773 256 1 1 . 1 1 130 130 ARG N N 130 124.467 124.467 123.238 1.229 19773 257 1 1 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.362 0.011 19773 258 1 1 . 1 1 130 130 ARG CA C 130 55.568 55.568 55.889 -0.321 19773 259 1 1 . 1 1 130 130 ARG CB C 130 30.647 30.647 29.990 0.657 19773 260 1 1 . 1 1 130 130 ARG H H 130 8.450 8.450 8.273 0.177 19773 261 1 2 . 1 1 -2 -2 LEU N N -2 122.671 122.671 117.701 4.970 19773 262 1 2 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.859 -0.581 19773 263 1 2 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 54.241 1.044 19773 264 1 2 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.263 -1.425 19773 265 1 2 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.295 0.403 19773 266 1 2 . 1 1 -1 -1 GLY N N -1 109.817 109.817 106.148 3.669 19773 267 1 2 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.813 0.284 19773 268 1 2 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.401 0.134 19773 269 1 2 . 1 1 75 75 LYS N N 75 122.983 122.983 120.852 2.131 19773 270 1 2 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.279 -0.063 19773 271 1 2 . 1 1 75 75 LYS CA C 75 56.371 56.371 57.075 -0.705 19773 272 1 2 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.979 -0.491 19773 273 1 2 . 1 1 75 75 LYS H H 75 8.411 8.411 7.783 0.628 19773 274 1 2 . 1 1 76 76 ILE N N 76 122.749 122.749 122.801 -0.052 19773 275 1 2 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.076 -0.017 19773 276 1 2 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.796 1.385 19773 277 1 2 . 1 1 76 76 ILE CB C 76 38.371 38.371 36.792 1.579 19773 278 1 2 . 1 1 76 76 ILE H H 76 8.242 8.242 7.598 0.644 19773 279 1 2 . 1 1 77 77 ALA N N 77 127.358 127.358 131.752 -4.394 19773 280 1 2 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.292 -0.109 19773 281 1 2 . 1 1 77 77 ALA CA C 77 52.609 52.609 52.271 0.338 19773 282 1 2 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.505 -0.693 19773 283 1 2 . 1 1 77 77 ALA H H 77 8.463 8.463 8.257 0.206 19773 284 1 2 . 1 1 78 78 GLN N N 78 119.077 119.077 121.494 -2.417 19773 285 1 2 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.372 -0.158 19773 286 1 2 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.164 0.432 19773 287 1 2 . 1 1 78 78 GLN CB C 78 29.016 29.016 30.044 -1.028 19773 288 1 2 . 1 1 78 78 GLN H H 78 8.359 8.359 8.353 0.006 19773 289 1 2 . 1 1 79 79 MET N N 79 121.781 121.781 122.959 -1.178 19773 290 1 2 . 1 1 79 79 MET HA H 79 4.450 4.450 4.674 -0.224 19773 291 1 2 . 1 1 79 79 MET CA C 79 55.906 55.906 55.261 0.645 19773 292 1 2 . 1 1 79 79 MET CB C 79 34.019 34.019 33.249 0.770 19773 293 1 2 . 1 1 79 79 MET H H 79 8.360 8.360 8.429 -0.069 19773 294 1 2 . 1 1 83 83 GLU N N 83 120.249 120.249 121.748 -1.499 19773 295 1 2 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.103 -0.047 19773 296 1 2 . 1 1 83 83 GLU CA C 83 58.801 58.801 59.239 -0.438 19773 297 1 2 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.447 -0.132 19773 298 1 2 . 1 1 83 83 GLU H H 83 8.776 8.776 8.776 -0.000 19773 299 1 2 . 1 1 84 84 GLN N N 84 119.958 119.958 119.710 0.248 19773 300 1 2 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.057 -0.072 19773 301 1 2 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.633 -0.724 19773 302 1 2 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.759 -0.369 19773 303 1 2 . 1 1 84 84 GLN H H 84 8.037 8.037 7.627 0.410 19773 304 1 2 . 1 1 85 85 PHE N N 85 121.733 121.733 121.063 0.670 19773 305 1 2 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.151 0.154 19773 306 1 2 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.264 -1.008 19773 307 1 2 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.027 -0.311 19773 308 1 2 . 1 1 85 85 PHE H H 85 8.652 8.652 8.165 0.487 19773 309 1 2 . 1 1 86 86 ALA N N 86 121.811 121.811 122.013 -0.202 19773 310 1 2 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.908 0.144 19773 311 1 2 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.072 -0.757 19773 312 1 2 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.218 -0.144 19773 313 1 2 . 1 1 86 86 ALA H H 86 8.209 8.209 7.899 0.310 19773 314 1 2 . 1 1 87 87 LEU N N 87 119.780 119.780 119.348 0.432 19773 315 1 2 . 1 1 87 87 LEU HA H 87 4.137 4.137 4.014 0.123 19773 316 1 2 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.417 -0.591 19773 317 1 2 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.369 0.236 19773 318 1 2 . 1 1 87 87 LEU H H 87 7.877 7.877 7.917 -0.040 19773 319 1 2 . 1 1 88 88 ALA N N 88 122.593 122.593 122.742 -0.149 19773 320 1 2 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.924 0.128 19773 321 1 2 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.114 -1.093 19773 322 1 2 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.011 -0.243 19773 323 1 2 . 1 1 88 88 ALA H H 88 8.020 8.020 8.234 -0.214 19773 324 1 2 . 1 1 89 89 LEU N N 89 120.028 120.028 118.400 1.628 19773 325 1 2 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.824 0.228 19773 326 1 2 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.350 -0.848 19773 327 1 2 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.496 0.042 19773 328 1 2 . 1 1 89 89 LEU H H 89 8.021 8.021 7.515 0.506 19773 329 1 2 . 1 1 90 90 LYS N N 90 120.483 120.483 119.015 1.468 19773 330 1 2 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.160 -0.012 19773 331 1 2 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.207 -1.650 19773 332 1 2 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.360 -0.145 19773 333 1 2 . 1 1 90 90 LYS H H 90 7.896 7.896 7.587 0.309 19773 334 1 2 . 1 1 91 91 MET N N 91 119.156 119.156 119.700 -0.544 19773 335 1 2 . 1 1 91 91 MET HA H 91 4.291 4.291 4.083 0.208 19773 336 1 2 . 1 1 91 91 MET CA C 91 56.541 56.541 58.893 -2.352 19773 337 1 2 . 1 1 91 91 MET H H 91 8.320 8.320 8.570 -0.250 19773 338 1 2 . 1 1 92 92 SER N N 92 116.382 116.382 115.350 1.032 19773 339 1 2 . 1 1 92 92 SER HA H 92 4.291 4.291 4.069 0.222 19773 340 1 2 . 1 1 92 92 SER CA C 92 59.584 59.584 61.793 -2.209 19773 341 1 2 . 1 1 92 92 SER CB C 92 63.074 63.074 62.212 0.862 19773 342 1 2 . 1 1 92 92 SER H H 92 8.297 8.297 8.060 0.237 19773 343 1 2 . 1 1 93 93 GLU N N 93 122.202 122.202 122.310 -0.108 19773 344 1 2 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.004 0.131 19773 345 1 2 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.080 -1.572 19773 346 1 2 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.354 0.259 19773 347 1 2 . 1 1 93 93 GLU H H 93 8.313 8.313 7.616 0.697 19773 348 1 2 . 1 1 94 94 GLN N N 94 119.546 119.546 119.543 0.003 19773 349 1 2 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.076 0.059 19773 350 1 2 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.413 -1.536 19773 351 1 2 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.660 0.166 19773 352 1 2 . 1 1 94 94 GLN H H 94 8.177 8.177 7.755 0.422 19773 353 1 2 . 1 1 95 95 GLU N N 95 121.030 121.030 116.011 5.019 19773 354 1 2 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.253 -0.187 19773 355 1 2 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.589 0.572 19773 356 1 2 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.571 0.335 19773 357 1 2 . 1 1 95 95 GLU H H 95 8.281 8.281 7.712 0.569 19773 358 1 2 . 1 1 96 96 ALA N N 96 123.530 123.530 119.746 3.784 19773 359 1 2 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.063 0.120 19773 360 1 2 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.004 -0.245 19773 361 1 2 . 1 1 96 96 ALA CB C 96 18.405 18.405 16.747 1.658 19773 362 1 2 . 1 1 96 96 ALA H H 96 8.242 8.242 7.678 0.564 19773 363 1 2 . 1 1 97 97 ARG N N 97 119.624 119.624 119.067 0.557 19773 364 1 2 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.058 0.151 19773 365 1 2 . 1 1 97 97 ARG CA C 97 56.469 56.469 58.641 -2.172 19773 366 1 2 . 1 1 97 97 ARG CB C 97 30.641 30.641 30.726 -0.085 19773 367 1 2 . 1 1 97 97 ARG H H 97 8.131 8.131 7.913 0.218 19773 368 1 2 . 1 1 98 98 GLU N N 98 121.837 121.837 119.172 2.665 19773 369 1 2 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.317 -0.140 19773 370 1 2 . 1 1 98 98 GLU CA C 98 56.531 56.531 55.397 1.134 19773 371 1 2 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.565 -0.900 19773 372 1 2 . 1 1 98 98 GLU H H 98 8.374 8.374 8.221 0.153 19773 373 1 2 . 1 1 99 99 VAL N N 99 121.265 121.265 124.193 -2.928 19773 374 1 2 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.036 -0.062 19773 375 1 2 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.240 0.263 19773 376 1 2 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.446 0.011 19773 377 1 2 . 1 1 99 99 VAL H H 99 8.261 8.261 8.299 -0.038 19773 378 1 2 . 1 1 100 100 ASN N N 100 122.280 122.280 124.665 -2.385 19773 379 1 2 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.780 -0.062 19773 380 1 2 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.335 -0.218 19773 381 1 2 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.422 -0.654 19773 382 1 2 . 1 1 100 100 ASN H H 100 8.639 8.639 8.585 0.054 19773 383 1 2 . 1 1 101 101 SER N N 101 117.046 117.046 119.907 -2.861 19773 384 1 2 . 1 1 101 101 SER HA H 101 4.349 4.349 4.104 0.245 19773 385 1 2 . 1 1 101 101 SER CA C 101 58.970 58.970 62.205 -3.235 19773 386 1 2 . 1 1 101 101 SER CB C 101 63.397 63.397 63.342 0.055 19773 387 1 2 . 1 1 101 101 SER H H 101 8.542 8.542 8.900 -0.358 19773 388 1 2 . 1 1 102 102 GLN N N 102 122.514 122.514 122.522 -0.008 19773 389 1 2 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.055 0.148 19773 390 1 2 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.284 -2.114 19773 391 1 2 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.187 0.202 19773 392 1 2 . 1 1 102 102 GLN H H 102 8.594 8.594 8.356 0.238 19773 393 1 2 . 1 1 103 103 GLU N N 103 120.874 120.874 119.902 0.972 19773 394 1 2 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.247 -0.154 19773 395 1 2 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.075 -1.081 19773 396 1 2 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.979 0.510 19773 397 1 2 . 1 1 103 103 GLU H H 103 8.496 8.496 7.752 0.744 19773 398 1 2 . 1 1 104 104 GLU N N 104 120.874 120.874 119.147 1.727 19773 399 1 2 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.070 0.052 19773 400 1 2 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.331 -1.484 19773 401 1 2 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.327 0.316 19773 402 1 2 . 1 1 104 104 GLU H H 104 8.379 8.379 7.737 0.642 19773 403 1 2 . 1 1 105 105 GLU N N 105 121.421 121.421 119.943 1.478 19773 404 1 2 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.035 0.086 19773 405 1 2 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.139 -1.057 19773 406 1 2 . 1 1 105 105 GLU H H 105 8.437 8.437 7.997 0.440 19773 407 1 2 . 1 1 106 106 GLU N N 106 120.640 120.640 119.124 1.516 19773 408 1 2 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.973 0.031 19773 409 1 2 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.476 -0.801 19773 410 1 2 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.499 -0.178 19773 411 1 2 . 1 1 106 106 GLU H H 106 8.463 8.463 7.983 0.480 19773 412 1 2 . 1 1 107 107 GLU N N 107 120.249 120.249 119.087 1.162 19773 413 1 2 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.941 0.104 19773 414 1 2 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.667 -0.665 19773 415 1 2 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.449 -0.413 19773 416 1 2 . 1 1 107 107 GLU H H 107 8.385 8.385 7.780 0.605 19773 417 1 2 . 1 1 108 108 GLU N N 108 120.902 120.902 119.356 1.546 19773 418 1 2 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.080 0.048 19773 419 1 2 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.110 -0.708 19773 420 1 2 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.337 -0.517 19773 421 1 2 . 1 1 108 108 GLU H H 108 8.125 8.125 7.741 0.384 19773 422 1 2 . 1 1 109 109 LEU N N 109 120.327 120.327 120.722 -0.395 19773 423 1 2 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.044 -0.050 19773 424 1 2 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.946 -0.486 19773 425 1 2 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.612 -0.127 19773 426 1 2 . 1 1 109 109 LEU H H 109 8.085 8.085 7.686 0.399 19773 427 1 2 . 1 1 110 110 LEU N N 110 121.108 121.108 119.687 1.421 19773 428 1 2 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.844 0.311 19773 429 1 2 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.140 -0.943 19773 430 1 2 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.386 0.086 19773 431 1 2 . 1 1 110 110 LEU H H 110 7.948 7.948 7.981 -0.033 19773 432 1 2 . 1 1 111 111 ARG N N 111 119.390 119.390 118.850 0.540 19773 433 1 2 . 1 1 111 111 ARG HA H 111 3.902 3.902 4.070 -0.168 19773 434 1 2 . 1 1 111 111 ARG CA C 111 59.013 59.013 58.881 0.132 19773 435 1 2 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.543 0.422 19773 436 1 2 . 1 1 111 111 ARG H H 111 8.111 8.111 8.103 0.008 19773 437 1 2 . 1 1 112 112 LYS N N 112 120.418 120.418 120.124 0.294 19773 438 1 2 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.053 0.006 19773 439 1 2 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.196 -0.481 19773 440 1 2 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.103 0.340 19773 441 1 2 . 1 1 112 112 LYS H H 112 8.273 8.273 7.836 0.437 19773 442 1 2 . 1 1 113 113 ALA N N 113 122.758 122.758 122.253 0.505 19773 443 1 2 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.106 0.063 19773 444 1 2 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.053 -0.760 19773 445 1 2 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.132 -0.079 19773 446 1 2 . 1 1 113 113 ALA H H 113 7.978 7.978 7.986 -0.008 19773 447 1 2 . 1 1 114 114 ILE N N 114 120.171 120.171 119.086 1.085 19773 448 1 2 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.598 0.168 19773 449 1 2 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.144 -1.724 19773 450 1 2 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.792 0.285 19773 451 1 2 . 1 1 114 114 ILE H H 114 8.229 8.229 7.675 0.554 19773 452 1 2 . 1 1 115 115 ALA N N 115 123.999 123.999 121.731 2.268 19773 453 1 2 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.964 0.143 19773 454 1 2 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.443 -1.122 19773 455 1 2 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.940 0.114 19773 456 1 2 . 1 1 115 115 ALA H H 115 8.072 8.072 8.244 -0.172 19773 457 1 2 . 1 1 116 116 GLU N N 116 118.140 118.140 118.992 -0.852 19773 458 1 2 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.054 0.066 19773 459 1 2 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.744 -0.968 19773 460 1 2 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.260 0.051 19773 461 1 2 . 1 1 116 116 GLU H H 116 8.313 8.313 8.271 0.042 19773 462 1 2 . 1 1 117 117 SER N N 117 115.640 115.640 116.130 -0.490 19773 463 1 2 . 1 1 117 117 SER HA H 117 4.291 4.291 4.254 0.037 19773 464 1 2 . 1 1 117 117 SER CA C 117 59.647 59.647 61.469 -1.822 19773 465 1 2 . 1 1 117 117 SER CB C 117 63.022 63.022 62.973 0.049 19773 466 1 2 . 1 1 117 117 SER H H 117 8.040 8.040 7.916 0.124 19773 467 1 2 . 1 1 118 118 LEU N N 118 122.593 122.593 119.921 2.672 19773 468 1 2 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.065 0.159 19773 469 1 2 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.257 -1.381 19773 470 1 2 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.096 -0.302 19773 471 1 2 . 1 1 118 118 LEU H H 118 7.968 7.968 7.869 0.099 19773 472 1 2 . 1 1 119 119 ASN N N 119 117.828 117.828 114.904 2.924 19773 473 1 2 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.643 -0.009 19773 474 1 2 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.186 -0.653 19773 475 1 2 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.246 -0.701 19773 476 1 2 . 1 1 119 119 ASN H H 119 8.183 8.183 7.828 0.355 19773 477 1 2 . 1 1 120 120 SER N N 120 115.484 115.484 115.192 0.292 19773 478 1 2 . 1 1 120 120 SER HA H 120 4.332 4.332 4.419 -0.087 19773 479 1 2 . 1 1 120 120 SER CA C 120 58.417 58.417 59.807 -1.390 19773 480 1 2 . 1 1 120 120 SER CB C 120 63.386 63.386 64.075 -0.689 19773 481 1 2 . 1 1 120 120 SER H H 120 8.183 8.183 7.444 0.739 19773 482 1 2 . 1 1 121 121 CYS N N 121 123.139 123.139 121.714 1.425 19773 483 1 2 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.164 -2.266 19773 484 1 2 . 1 1 121 121 CYS CB C 121 30.564 30.564 30.213 0.351 19773 485 1 2 . 1 1 121 121 CYS H H 121 8.450 8.450 8.253 0.197 19773 486 1 2 . 1 1 124 124 SER N N 124 116.031 116.031 116.793 -0.762 19773 487 1 2 . 1 1 124 124 SER HA H 124 4.311 4.311 4.388 -0.077 19773 488 1 2 . 1 1 124 124 SER CA C 124 58.360 58.360 58.462 -0.102 19773 489 1 2 . 1 1 124 124 SER CB C 124 63.486 63.486 63.777 -0.291 19773 490 1 2 . 1 1 124 124 SER H H 124 8.587 8.587 8.289 0.298 19773 491 1 2 . 1 1 125 125 ASP N N 125 122.514 122.514 121.422 1.092 19773 492 1 2 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.595 -0.040 19773 493 1 2 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.850 0.166 19773 494 1 2 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.139 -1.274 19773 495 1 2 . 1 1 125 125 ASP H H 125 8.424 8.424 8.476 -0.052 19773 496 1 2 . 1 1 126 126 ALA N N 126 124.858 124.858 128.840 -3.982 19773 497 1 2 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.148 0.075 19773 498 1 2 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.287 -1.532 19773 499 1 2 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.798 -0.103 19773 500 1 2 . 1 1 126 126 ALA H H 126 8.398 8.398 8.739 -0.341 19773 501 1 2 . 1 1 127 127 SER N N 127 114.781 114.781 113.680 1.101 19773 502 1 2 . 1 1 127 127 SER HA H 127 4.296 4.296 4.298 -0.002 19773 503 1 2 . 1 1 127 127 SER CA C 127 58.476 58.476 58.600 -0.124 19773 504 1 2 . 1 1 127 127 SER CB C 127 63.408 63.408 63.864 -0.455 19773 505 1 2 . 1 1 127 127 SER H H 127 8.398 8.398 8.015 0.383 19773 506 1 2 . 1 1 128 128 ALA N N 128 125.639 125.639 122.747 2.892 19773 507 1 2 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.154 0.132 19773 508 1 2 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.179 -0.767 19773 509 1 2 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.258 1.742 19773 510 1 2 . 1 1 128 128 ALA H H 128 8.261 8.261 7.237 1.024 19773 511 1 2 . 1 1 129 129 THR N N 129 113.687 113.687 116.006 -2.319 19773 512 1 2 . 1 1 129 129 THR HA H 129 4.223 4.223 4.194 0.029 19773 513 1 2 . 1 1 129 129 THR CA C 129 61.793 61.793 62.894 -1.101 19773 514 1 2 . 1 1 129 129 THR CB C 129 69.378 69.378 69.289 0.089 19773 515 1 2 . 1 1 129 129 THR H H 129 8.196 8.196 8.473 -0.277 19773 516 1 2 . 1 1 130 130 ARG N N 130 124.467 124.467 126.342 -1.875 19773 517 1 2 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.422 -0.049 19773 518 1 2 . 1 1 130 130 ARG CA C 130 55.568 55.568 55.991 -0.423 19773 519 1 2 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.516 0.131 19773 520 1 2 . 1 1 130 130 ARG H H 130 8.450 8.450 8.607 -0.157 19773 521 1 3 . 1 1 -2 -2 LEU N N -2 122.671 122.671 122.955 -0.284 19773 522 1 3 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.695 -0.417 19773 523 1 3 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.211 0.074 19773 524 1 3 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.329 -1.491 19773 525 1 3 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.308 0.390 19773 526 1 3 . 1 1 -1 -1 GLY N N -1 109.817 109.817 111.390 -1.573 19773 527 1 3 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 45.169 -0.071 19773 528 1 3 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.342 0.193 19773 529 1 3 . 1 1 75 75 LYS N N 75 122.983 122.983 119.820 3.163 19773 530 1 3 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.282 -0.066 19773 531 1 3 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.641 -0.270 19773 532 1 3 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.997 -0.509 19773 533 1 3 . 1 1 75 75 LYS H H 75 8.411 8.411 7.905 0.506 19773 534 1 3 . 1 1 76 76 ILE N N 76 122.749 122.749 121.562 1.187 19773 535 1 3 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.040 0.019 19773 536 1 3 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.920 1.261 19773 537 1 3 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.269 0.102 19773 538 1 3 . 1 1 76 76 ILE H H 76 8.242 8.242 7.364 0.878 19773 539 1 3 . 1 1 77 77 ALA N N 77 127.358 127.358 131.176 -3.818 19773 540 1 3 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.469 -0.286 19773 541 1 3 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.727 0.882 19773 542 1 3 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.769 -0.957 19773 543 1 3 . 1 1 77 77 ALA H H 77 8.463 8.463 8.273 0.190 19773 544 1 3 . 1 1 78 78 GLN N N 78 119.077 119.077 119.580 -0.503 19773 545 1 3 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.256 -0.042 19773 546 1 3 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.619 -0.023 19773 547 1 3 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.310 -0.294 19773 548 1 3 . 1 1 78 78 GLN H H 78 8.359 8.359 8.316 0.043 19773 549 1 3 . 1 1 79 79 MET N N 79 121.781 121.781 123.068 -1.287 19773 550 1 3 . 1 1 79 79 MET HA H 79 4.450 4.450 4.430 0.020 19773 551 1 3 . 1 1 79 79 MET CA C 79 55.906 55.906 55.856 0.050 19773 552 1 3 . 1 1 79 79 MET CB C 79 34.019 34.019 32.876 1.143 19773 553 1 3 . 1 1 79 79 MET H H 79 8.360 8.360 8.463 -0.103 19773 554 1 3 . 1 1 83 83 GLU N N 83 120.249 120.249 122.404 -2.155 19773 555 1 3 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.132 -0.076 19773 556 1 3 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.927 -0.126 19773 557 1 3 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.645 -0.330 19773 558 1 3 . 1 1 83 83 GLU H H 83 8.776 8.776 8.629 0.147 19773 559 1 3 . 1 1 84 84 GLN N N 84 119.958 119.958 118.645 1.313 19773 560 1 3 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.072 -0.087 19773 561 1 3 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.571 -0.663 19773 562 1 3 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.558 -0.168 19773 563 1 3 . 1 1 84 84 GLN H H 84 8.037 8.037 7.655 0.382 19773 564 1 3 . 1 1 85 85 PHE N N 85 121.733 121.733 121.408 0.325 19773 565 1 3 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.142 0.163 19773 566 1 3 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.224 -0.968 19773 567 1 3 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.985 -0.269 19773 568 1 3 . 1 1 85 85 PHE H H 85 8.652 8.652 8.678 -0.026 19773 569 1 3 . 1 1 86 86 ALA N N 86 121.811 121.811 122.233 -0.422 19773 570 1 3 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.947 0.105 19773 571 1 3 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.072 -0.757 19773 572 1 3 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.105 -0.031 19773 573 1 3 . 1 1 86 86 ALA H H 86 8.209 8.209 8.564 -0.355 19773 574 1 3 . 1 1 87 87 LEU N N 87 119.780 119.780 119.629 0.151 19773 575 1 3 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.908 0.229 19773 576 1 3 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.433 -0.607 19773 577 1 3 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.945 -0.340 19773 578 1 3 . 1 1 87 87 LEU H H 87 7.877 7.877 8.194 -0.317 19773 579 1 3 . 1 1 88 88 ALA N N 88 122.593 122.593 122.596 -0.003 19773 580 1 3 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.924 0.128 19773 581 1 3 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.230 -1.209 19773 582 1 3 . 1 1 88 88 ALA CB C 88 17.768 17.768 17.972 -0.204 19773 583 1 3 . 1 1 88 88 ALA H H 88 8.020 8.020 7.972 0.048 19773 584 1 3 . 1 1 89 89 LEU N N 89 120.028 120.028 118.589 1.439 19773 585 1 3 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.999 0.053 19773 586 1 3 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.458 -0.956 19773 587 1 3 . 1 1 89 89 LEU CB C 89 41.538 41.538 40.675 0.862 19773 588 1 3 . 1 1 89 89 LEU H H 89 8.021 8.021 7.546 0.475 19773 589 1 3 . 1 1 90 90 LYS N N 90 120.483 120.483 119.419 1.064 19773 590 1 3 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.226 -0.078 19773 591 1 3 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.944 -1.387 19773 592 1 3 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.099 0.116 19773 593 1 3 . 1 1 90 90 LYS H H 90 7.896 7.896 7.920 -0.024 19773 594 1 3 . 1 1 91 91 MET N N 91 119.156 119.156 119.124 0.032 19773 595 1 3 . 1 1 91 91 MET HA H 91 4.291 4.291 4.186 0.105 19773 596 1 3 . 1 1 91 91 MET CA C 91 56.541 56.541 57.592 -1.051 19773 597 1 3 . 1 1 91 91 MET H H 91 8.320 8.320 8.501 -0.181 19773 598 1 3 . 1 1 92 92 SER N N 92 116.382 116.382 116.150 0.232 19773 599 1 3 . 1 1 92 92 SER HA H 92 4.291 4.291 4.109 0.182 19773 600 1 3 . 1 1 92 92 SER CA C 92 59.584 59.584 61.794 -2.210 19773 601 1 3 . 1 1 92 92 SER CB C 92 63.074 63.074 62.194 0.880 19773 602 1 3 . 1 1 92 92 SER H H 92 8.297 8.297 8.081 0.216 19773 603 1 3 . 1 1 93 93 GLU N N 93 122.202 122.202 121.571 0.631 19773 604 1 3 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.003 0.132 19773 605 1 3 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.049 -1.541 19773 606 1 3 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.434 0.179 19773 607 1 3 . 1 1 93 93 GLU H H 93 8.313 8.313 7.900 0.413 19773 608 1 3 . 1 1 94 94 GLN N N 94 119.546 119.546 117.693 1.853 19773 609 1 3 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.101 0.034 19773 610 1 3 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.012 -1.135 19773 611 1 3 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.558 0.268 19773 612 1 3 . 1 1 94 94 GLN H H 94 8.177 8.177 7.667 0.510 19773 613 1 3 . 1 1 95 95 GLU N N 95 121.030 121.030 116.876 4.154 19773 614 1 3 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.286 -0.220 19773 615 1 3 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.412 0.749 19773 616 1 3 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.119 -0.213 19773 617 1 3 . 1 1 95 95 GLU H H 95 8.281 8.281 7.746 0.535 19773 618 1 3 . 1 1 96 96 ALA N N 96 123.530 123.530 118.891 4.639 19773 619 1 3 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.994 0.189 19773 620 1 3 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.503 -0.744 19773 621 1 3 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.278 1.127 19773 622 1 3 . 1 1 96 96 ALA H H 96 8.242 8.242 7.784 0.458 19773 623 1 3 . 1 1 97 97 ARG N N 97 119.624 119.624 116.610 3.014 19773 624 1 3 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.523 -0.314 19773 625 1 3 . 1 1 97 97 ARG CA C 97 56.469 56.469 55.262 1.207 19773 626 1 3 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.133 -0.492 19773 627 1 3 . 1 1 97 97 ARG H H 97 8.131 8.131 7.805 0.326 19773 628 1 3 . 1 1 98 98 GLU N N 98 121.837 121.837 119.083 2.754 19773 629 1 3 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.141 0.036 19773 630 1 3 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.812 -0.281 19773 631 1 3 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.538 -0.873 19773 632 1 3 . 1 1 98 98 GLU H H 98 8.374 8.374 8.348 0.026 19773 633 1 3 . 1 1 99 99 VAL N N 99 121.265 121.265 121.612 -0.347 19773 634 1 3 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.031 -0.057 19773 635 1 3 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.667 -0.164 19773 636 1 3 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.355 0.102 19773 637 1 3 . 1 1 99 99 VAL H H 99 8.261 8.261 8.314 -0.053 19773 638 1 3 . 1 1 100 100 ASN N N 100 122.280 122.280 123.895 -1.615 19773 639 1 3 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.686 0.032 19773 640 1 3 . 1 1 100 100 ASN CA C 100 53.117 53.117 52.942 0.175 19773 641 1 3 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.349 -0.581 19773 642 1 3 . 1 1 100 100 ASN H H 100 8.639 8.639 8.479 0.160 19773 643 1 3 . 1 1 101 101 SER N N 101 117.046 117.046 119.155 -2.109 19773 644 1 3 . 1 1 101 101 SER HA H 101 4.349 4.349 4.099 0.250 19773 645 1 3 . 1 1 101 101 SER CA C 101 58.970 58.970 61.033 -2.063 19773 646 1 3 . 1 1 101 101 SER CB C 101 63.397 63.397 62.983 0.414 19773 647 1 3 . 1 1 101 101 SER H H 101 8.542 8.542 8.898 -0.356 19773 648 1 3 . 1 1 102 102 GLN N N 102 122.514 122.514 120.204 2.310 19773 649 1 3 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.251 -0.048 19773 650 1 3 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.385 -2.215 19773 651 1 3 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.675 -0.286 19773 652 1 3 . 1 1 102 102 GLN H H 102 8.594 8.594 8.498 0.096 19773 653 1 3 . 1 1 103 103 GLU N N 103 120.874 120.874 119.000 1.874 19773 654 1 3 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.084 0.009 19773 655 1 3 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.540 -1.547 19773 656 1 3 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.344 0.145 19773 657 1 3 . 1 1 103 103 GLU H H 103 8.496 8.496 8.248 0.248 19773 658 1 3 . 1 1 104 104 GLU N N 104 120.874 120.874 119.588 1.286 19773 659 1 3 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.067 0.055 19773 660 1 3 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.434 -1.587 19773 661 1 3 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.468 0.175 19773 662 1 3 . 1 1 104 104 GLU H H 104 8.379 8.379 7.738 0.641 19773 663 1 3 . 1 1 105 105 GLU N N 105 121.421 121.421 120.805 0.616 19773 664 1 3 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.020 0.101 19773 665 1 3 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.233 -1.151 19773 666 1 3 . 1 1 105 105 GLU H H 105 8.437 8.437 7.792 0.645 19773 667 1 3 . 1 1 106 106 GLU N N 106 120.640 120.640 119.776 0.864 19773 668 1 3 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.997 0.007 19773 669 1 3 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.495 -0.820 19773 670 1 3 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.640 -0.319 19773 671 1 3 . 1 1 106 106 GLU H H 106 8.463 8.463 8.169 0.294 19773 672 1 3 . 1 1 107 107 GLU N N 107 120.249 120.249 119.816 0.433 19773 673 1 3 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.994 0.051 19773 674 1 3 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.657 -0.655 19773 675 1 3 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.576 -0.541 19773 676 1 3 . 1 1 107 107 GLU H H 107 8.385 8.385 7.945 0.440 19773 677 1 3 . 1 1 108 108 GLU N N 108 120.902 120.902 119.616 1.286 19773 678 1 3 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.054 0.074 19773 679 1 3 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.216 -0.814 19773 680 1 3 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.629 -0.809 19773 681 1 3 . 1 1 108 108 GLU H H 108 8.125 8.125 7.836 0.289 19773 682 1 3 . 1 1 109 109 LEU N N 109 120.327 120.327 119.988 0.339 19773 683 1 3 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.022 -0.028 19773 684 1 3 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.622 -0.162 19773 685 1 3 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.770 -0.285 19773 686 1 3 . 1 1 109 109 LEU H H 109 8.085 8.085 8.089 -0.004 19773 687 1 3 . 1 1 110 110 LEU N N 110 121.108 121.108 120.510 0.598 19773 688 1 3 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.972 0.183 19773 689 1 3 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.187 -0.990 19773 690 1 3 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.456 0.016 19773 691 1 3 . 1 1 110 110 LEU H H 110 7.948 7.948 8.433 -0.485 19773 692 1 3 . 1 1 111 111 ARG N N 111 119.390 119.390 119.024 0.366 19773 693 1 3 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.915 -0.013 19773 694 1 3 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.517 -0.504 19773 695 1 3 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.888 0.077 19773 696 1 3 . 1 1 111 111 ARG H H 111 8.111 8.111 8.077 0.034 19773 697 1 3 . 1 1 112 112 LYS N N 112 120.418 120.418 118.783 1.635 19773 698 1 3 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.010 0.049 19773 699 1 3 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.534 -0.819 19773 700 1 3 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.176 0.267 19773 701 1 3 . 1 1 112 112 LYS H H 112 8.273 8.273 7.769 0.504 19773 702 1 3 . 1 1 113 113 ALA N N 113 122.758 122.758 122.504 0.254 19773 703 1 3 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.099 0.070 19773 704 1 3 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.994 -0.701 19773 705 1 3 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.176 -0.123 19773 706 1 3 . 1 1 113 113 ALA H H 113 7.978 7.978 7.904 0.074 19773 707 1 3 . 1 1 114 114 ILE N N 114 120.171 120.171 118.974 1.197 19773 708 1 3 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.589 0.177 19773 709 1 3 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.174 -1.754 19773 710 1 3 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.767 0.311 19773 711 1 3 . 1 1 114 114 ILE H H 114 8.229 8.229 7.970 0.259 19773 712 1 3 . 1 1 115 115 ALA N N 115 123.999 123.999 121.819 2.180 19773 713 1 3 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.964 0.143 19773 714 1 3 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.485 -1.164 19773 715 1 3 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.967 0.087 19773 716 1 3 . 1 1 115 115 ALA H H 115 8.072 8.072 7.921 0.151 19773 717 1 3 . 1 1 116 116 GLU N N 116 118.140 118.140 117.986 0.154 19773 718 1 3 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.019 0.101 19773 719 1 3 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.876 -1.100 19773 720 1 3 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.156 0.155 19773 721 1 3 . 1 1 116 116 GLU H H 116 8.313 8.313 7.903 0.410 19773 722 1 3 . 1 1 117 117 SER N N 117 115.640 115.640 115.724 -0.084 19773 723 1 3 . 1 1 117 117 SER HA H 117 4.291 4.291 4.191 0.100 19773 724 1 3 . 1 1 117 117 SER CA C 117 59.647 59.647 60.825 -1.178 19773 725 1 3 . 1 1 117 117 SER CB C 117 63.022 63.022 62.911 0.111 19773 726 1 3 . 1 1 117 117 SER H H 117 8.040 8.040 7.928 0.112 19773 727 1 3 . 1 1 118 118 LEU N N 118 122.593 122.593 118.907 3.686 19773 728 1 3 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.126 0.098 19773 729 1 3 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.284 -1.409 19773 730 1 3 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.035 -0.241 19773 731 1 3 . 1 1 118 118 LEU H H 118 7.968 7.968 7.644 0.324 19773 732 1 3 . 1 1 119 119 ASN N N 119 117.828 117.828 114.886 2.942 19773 733 1 3 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.657 -0.023 19773 734 1 3 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.355 -0.822 19773 735 1 3 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.901 -0.356 19773 736 1 3 . 1 1 119 119 ASN H H 119 8.183 8.183 7.709 0.474 19773 737 1 3 . 1 1 120 120 SER N N 120 115.484 115.484 116.009 -0.525 19773 738 1 3 . 1 1 120 120 SER HA H 120 4.332 4.332 4.533 -0.201 19773 739 1 3 . 1 1 120 120 SER CA C 120 58.417 58.417 58.705 -0.287 19773 740 1 3 . 1 1 120 120 SER CB C 120 63.386 63.386 64.448 -1.062 19773 741 1 3 . 1 1 120 120 SER H H 120 8.183 8.183 7.738 0.445 19773 742 1 3 . 1 1 121 121 CYS N N 121 123.139 123.139 122.865 0.274 19773 743 1 3 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.468 -2.570 19773 744 1 3 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.776 1.788 19773 745 1 3 . 1 1 121 121 CYS H H 121 8.450 8.450 8.253 0.197 19773 746 1 3 . 1 1 124 124 SER N N 124 116.031 116.031 118.198 -2.167 19773 747 1 3 . 1 1 124 124 SER HA H 124 4.311 4.311 4.354 -0.043 19773 748 1 3 . 1 1 124 124 SER CA C 124 58.360 58.360 58.170 0.190 19773 749 1 3 . 1 1 124 124 SER CB C 124 63.486 63.486 64.094 -0.608 19773 750 1 3 . 1 1 124 124 SER H H 124 8.587 8.587 8.288 0.299 19773 751 1 3 . 1 1 125 125 ASP N N 125 122.514 122.514 121.540 0.974 19773 752 1 3 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.715 -0.160 19773 753 1 3 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.906 0.110 19773 754 1 3 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.149 -0.285 19773 755 1 3 . 1 1 125 125 ASP H H 125 8.424 8.424 8.521 -0.097 19773 756 1 3 . 1 1 126 126 ALA N N 126 124.858 124.858 127.316 -2.458 19773 757 1 3 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.141 0.082 19773 758 1 3 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.060 -1.305 19773 759 1 3 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.072 -0.377 19773 760 1 3 . 1 1 126 126 ALA H H 126 8.398 8.398 8.678 -0.280 19773 761 1 3 . 1 1 127 127 SER N N 127 114.781 114.781 113.471 1.310 19773 762 1 3 . 1 1 127 127 SER HA H 127 4.296 4.296 4.466 -0.170 19773 763 1 3 . 1 1 127 127 SER CA C 127 58.476 58.476 58.554 -0.078 19773 764 1 3 . 1 1 127 127 SER CB C 127 63.408 63.408 63.754 -0.346 19773 765 1 3 . 1 1 127 127 SER H H 127 8.398 8.398 8.278 0.120 19773 766 1 3 . 1 1 128 128 ALA N N 128 125.639 125.639 121.361 4.278 19773 767 1 3 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.047 0.239 19773 768 1 3 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.369 -0.957 19773 769 1 3 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.365 1.635 19773 770 1 3 . 1 1 128 128 ALA H H 128 8.261 8.261 7.392 0.869 19773 771 1 3 . 1 1 129 129 THR N N 129 113.687 113.687 111.202 2.485 19773 772 1 3 . 1 1 129 129 THR HA H 129 4.223 4.223 4.290 -0.067 19773 773 1 3 . 1 1 129 129 THR CA C 129 61.793 61.793 61.424 0.369 19773 774 1 3 . 1 1 129 129 THR CB C 129 69.378 69.378 69.616 -0.238 19773 775 1 3 . 1 1 129 129 THR H H 129 8.196 8.196 7.735 0.461 19773 776 1 3 . 1 1 130 130 ARG N N 130 124.467 124.467 121.796 2.671 19773 777 1 3 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.704 -0.331 19773 778 1 3 . 1 1 130 130 ARG CA C 130 55.568 55.568 55.651 -0.083 19773 779 1 3 . 1 1 130 130 ARG CB C 130 30.647 30.647 31.109 -0.462 19773 780 1 3 . 1 1 130 130 ARG H H 130 8.450 8.450 8.431 0.019 19773 781 1 4 . 1 1 -2 -2 LEU N N -2 122.671 122.671 113.077 9.594 19773 782 1 4 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.947 -0.669 19773 783 1 4 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 54.121 1.164 19773 784 1 4 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 44.582 -2.744 19773 785 1 4 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.326 1.372 19773 786 1 4 . 1 1 -1 -1 GLY N N -1 109.817 109.817 107.893 1.924 19773 787 1 4 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 45.431 -0.333 19773 788 1 4 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.409 0.126 19773 789 1 4 . 1 1 75 75 LYS N N 75 122.983 122.983 119.719 3.264 19773 790 1 4 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.244 -0.028 19773 791 1 4 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.624 -0.253 19773 792 1 4 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.158 -0.670 19773 793 1 4 . 1 1 75 75 LYS H H 75 8.411 8.411 7.874 0.537 19773 794 1 4 . 1 1 76 76 ILE N N 76 122.749 122.749 121.591 1.158 19773 795 1 4 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.032 0.027 19773 796 1 4 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.091 0.090 19773 797 1 4 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.438 -0.067 19773 798 1 4 . 1 1 76 76 ILE H H 76 8.242 8.242 7.441 0.801 19773 799 1 4 . 1 1 77 77 ALA N N 77 127.358 127.358 131.577 -4.219 19773 800 1 4 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.510 -0.327 19773 801 1 4 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.613 0.996 19773 802 1 4 . 1 1 77 77 ALA CB C 77 18.812 18.812 18.958 -0.146 19773 803 1 4 . 1 1 77 77 ALA H H 77 8.463 8.463 8.502 -0.039 19773 804 1 4 . 1 1 78 78 GLN N N 78 119.077 119.077 121.834 -2.757 19773 805 1 4 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.419 -0.205 19773 806 1 4 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.034 0.562 19773 807 1 4 . 1 1 78 78 GLN CB C 78 29.016 29.016 30.069 -1.053 19773 808 1 4 . 1 1 78 78 GLN H H 78 8.359 8.359 8.576 -0.217 19773 809 1 4 . 1 1 79 79 MET N N 79 121.781 121.781 121.663 0.118 19773 810 1 4 . 1 1 79 79 MET HA H 79 4.450 4.450 4.664 -0.214 19773 811 1 4 . 1 1 79 79 MET CA C 79 55.906 55.906 55.758 0.148 19773 812 1 4 . 1 1 79 79 MET CB C 79 34.019 34.019 32.962 1.057 19773 813 1 4 . 1 1 79 79 MET H H 79 8.360 8.360 8.363 -0.003 19773 814 1 4 . 1 1 83 83 GLU N N 83 120.249 120.249 121.802 -1.553 19773 815 1 4 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.120 -0.064 19773 816 1 4 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.904 -0.103 19773 817 1 4 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.696 -0.381 19773 818 1 4 . 1 1 83 83 GLU H H 83 8.776 8.776 8.620 0.156 19773 819 1 4 . 1 1 84 84 GLN N N 84 119.958 119.958 119.507 0.451 19773 820 1 4 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.061 -0.076 19773 821 1 4 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.833 -0.925 19773 822 1 4 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.718 -0.328 19773 823 1 4 . 1 1 84 84 GLN H H 84 8.037 8.037 7.688 0.349 19773 824 1 4 . 1 1 85 85 PHE N N 85 121.733 121.733 120.456 1.277 19773 825 1 4 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.165 0.140 19773 826 1 4 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.025 -0.769 19773 827 1 4 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.013 -0.297 19773 828 1 4 . 1 1 85 85 PHE H H 85 8.652 8.652 8.393 0.259 19773 829 1 4 . 1 1 86 86 ALA N N 86 121.811 121.811 122.406 -0.595 19773 830 1 4 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.907 0.145 19773 831 1 4 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.092 -0.777 19773 832 1 4 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.186 -0.112 19773 833 1 4 . 1 1 86 86 ALA H H 86 8.209 8.209 8.411 -0.202 19773 834 1 4 . 1 1 87 87 LEU N N 87 119.780 119.780 119.289 0.491 19773 835 1 4 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.961 0.176 19773 836 1 4 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.382 -0.556 19773 837 1 4 . 1 1 87 87 LEU CB C 87 41.605 41.605 40.590 1.015 19773 838 1 4 . 1 1 87 87 LEU H H 87 7.877 7.877 8.224 -0.347 19773 839 1 4 . 1 1 88 88 ALA N N 88 122.593 122.593 122.161 0.432 19773 840 1 4 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.919 0.133 19773 841 1 4 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.019 -0.998 19773 842 1 4 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.160 -0.392 19773 843 1 4 . 1 1 88 88 ALA H H 88 8.020 8.020 7.586 0.434 19773 844 1 4 . 1 1 89 89 LEU N N 89 120.028 120.028 118.938 1.090 19773 845 1 4 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.860 0.192 19773 846 1 4 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.093 -0.591 19773 847 1 4 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.461 0.077 19773 848 1 4 . 1 1 89 89 LEU H H 89 8.021 8.021 7.476 0.545 19773 849 1 4 . 1 1 90 90 LYS N N 90 120.483 120.483 120.107 0.376 19773 850 1 4 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.934 0.214 19773 851 1 4 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.497 -1.940 19773 852 1 4 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.392 -0.177 19773 853 1 4 . 1 1 90 90 LYS H H 90 7.896 7.896 8.073 -0.177 19773 854 1 4 . 1 1 91 91 MET N N 91 119.156 119.156 119.432 -0.276 19773 855 1 4 . 1 1 91 91 MET HA H 91 4.291 4.291 4.097 0.194 19773 856 1 4 . 1 1 91 91 MET CA C 91 56.541 56.541 59.301 -2.760 19773 857 1 4 . 1 1 91 91 MET H H 91 8.320 8.320 8.414 -0.094 19773 858 1 4 . 1 1 92 92 SER N N 92 116.382 116.382 115.853 0.529 19773 859 1 4 . 1 1 92 92 SER HA H 92 4.291 4.291 4.222 0.069 19773 860 1 4 . 1 1 92 92 SER CA C 92 59.584 59.584 61.660 -2.076 19773 861 1 4 . 1 1 92 92 SER CB C 92 63.074 63.074 62.739 0.335 19773 862 1 4 . 1 1 92 92 SER H H 92 8.297 8.297 7.948 0.349 19773 863 1 4 . 1 1 93 93 GLU N N 93 122.202 122.202 121.857 0.345 19773 864 1 4 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.052 0.083 19773 865 1 4 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.904 -1.395 19773 866 1 4 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.402 0.211 19773 867 1 4 . 1 1 93 93 GLU H H 93 8.313 8.313 7.819 0.494 19773 868 1 4 . 1 1 94 94 GLN N N 94 119.546 119.546 117.780 1.766 19773 869 1 4 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.138 -0.003 19773 870 1 4 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.029 -1.152 19773 871 1 4 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.728 0.098 19773 872 1 4 . 1 1 94 94 GLN H H 94 8.177 8.177 7.826 0.351 19773 873 1 4 . 1 1 95 95 GLU N N 95 121.030 121.030 116.384 4.646 19773 874 1 4 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.342 -0.276 19773 875 1 4 . 1 1 95 95 GLU CA C 95 57.161 57.161 55.914 1.247 19773 876 1 4 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.103 -0.197 19773 877 1 4 . 1 1 95 95 GLU H H 95 8.281 8.281 8.113 0.168 19773 878 1 4 . 1 1 96 96 ALA N N 96 123.530 123.530 119.937 3.593 19773 879 1 4 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.828 0.355 19773 880 1 4 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.370 -0.611 19773 881 1 4 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.584 0.821 19773 882 1 4 . 1 1 96 96 ALA H H 96 8.242 8.242 7.933 0.309 19773 883 1 4 . 1 1 97 97 ARG N N 97 119.624 119.624 120.660 -1.036 19773 884 1 4 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.296 -0.087 19773 885 1 4 . 1 1 97 97 ARG CA C 97 56.469 56.469 55.348 1.121 19773 886 1 4 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.033 -0.392 19773 887 1 4 . 1 1 97 97 ARG H H 97 8.131 8.131 7.696 0.435 19773 888 1 4 . 1 1 98 98 GLU N N 98 121.837 121.837 126.387 -4.550 19773 889 1 4 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.371 -0.194 19773 890 1 4 . 1 1 98 98 GLU CA C 98 56.531 56.531 55.390 1.141 19773 891 1 4 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.072 -0.407 19773 892 1 4 . 1 1 98 98 GLU H H 98 8.374 8.374 8.559 -0.185 19773 893 1 4 . 1 1 99 99 VAL N N 99 121.265 121.265 125.553 -4.288 19773 894 1 4 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.072 -0.098 19773 895 1 4 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.702 0.801 19773 896 1 4 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.950 -0.493 19773 897 1 4 . 1 1 99 99 VAL H H 99 8.261 8.261 8.226 0.035 19773 898 1 4 . 1 1 100 100 ASN N N 100 122.280 122.280 121.869 0.411 19773 899 1 4 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.662 0.056 19773 900 1 4 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.365 -0.248 19773 901 1 4 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.017 -0.248 19773 902 1 4 . 1 1 100 100 ASN H H 100 8.639 8.639 8.547 0.092 19773 903 1 4 . 1 1 101 101 SER N N 101 117.046 117.046 119.987 -2.941 19773 904 1 4 . 1 1 101 101 SER HA H 101 4.349 4.349 4.360 -0.011 19773 905 1 4 . 1 1 101 101 SER CA C 101 58.970 58.970 61.244 -2.274 19773 906 1 4 . 1 1 101 101 SER CB C 101 63.397 63.397 63.457 -0.060 19773 907 1 4 . 1 1 101 101 SER H H 101 8.542 8.542 8.966 -0.424 19773 908 1 4 . 1 1 102 102 GLN N N 102 122.514 122.514 120.823 1.691 19773 909 1 4 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.091 0.112 19773 910 1 4 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.927 -1.757 19773 911 1 4 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.212 0.177 19773 912 1 4 . 1 1 102 102 GLN H H 102 8.594 8.594 8.691 -0.097 19773 913 1 4 . 1 1 103 103 GLU N N 103 120.874 120.874 119.217 1.657 19773 914 1 4 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.062 0.031 19773 915 1 4 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.489 -1.496 19773 916 1 4 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.413 0.076 19773 917 1 4 . 1 1 103 103 GLU H H 103 8.496 8.496 7.763 0.733 19773 918 1 4 . 1 1 104 104 GLU N N 104 120.874 120.874 118.735 2.139 19773 919 1 4 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.128 -0.006 19773 920 1 4 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.351 -1.504 19773 921 1 4 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.335 0.308 19773 922 1 4 . 1 1 104 104 GLU H H 104 8.379 8.379 7.978 0.401 19773 923 1 4 . 1 1 105 105 GLU N N 105 121.421 121.421 118.879 2.542 19773 924 1 4 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.035 0.086 19773 925 1 4 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.243 -1.161 19773 926 1 4 . 1 1 105 105 GLU H H 105 8.437 8.437 8.326 0.111 19773 927 1 4 . 1 1 106 106 GLU N N 106 120.640 120.640 120.724 -0.084 19773 928 1 4 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.951 0.053 19773 929 1 4 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.826 -1.151 19773 930 1 4 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.626 -0.305 19773 931 1 4 . 1 1 106 106 GLU H H 106 8.463 8.463 8.539 -0.076 19773 932 1 4 . 1 1 107 107 GLU N N 107 120.249 120.249 119.638 0.611 19773 933 1 4 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.997 0.048 19773 934 1 4 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.593 -0.591 19773 935 1 4 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.586 -0.550 19773 936 1 4 . 1 1 107 107 GLU H H 107 8.385 8.385 7.751 0.634 19773 937 1 4 . 1 1 108 108 GLU N N 108 120.902 120.902 119.687 1.215 19773 938 1 4 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.093 0.035 19773 939 1 4 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.292 -0.890 19773 940 1 4 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.440 -0.620 19773 941 1 4 . 1 1 108 108 GLU H H 108 8.125 8.125 7.732 0.393 19773 942 1 4 . 1 1 109 109 LEU N N 109 120.327 120.327 120.655 -0.328 19773 943 1 4 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.010 -0.016 19773 944 1 4 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.874 -0.414 19773 945 1 4 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.810 -0.325 19773 946 1 4 . 1 1 109 109 LEU H H 109 8.085 8.085 8.547 -0.462 19773 947 1 4 . 1 1 110 110 LEU N N 110 121.108 121.108 120.194 0.914 19773 948 1 4 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.907 0.248 19773 949 1 4 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.322 -1.125 19773 950 1 4 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.836 -0.364 19773 951 1 4 . 1 1 110 110 LEU H H 110 7.948 7.948 8.463 -0.515 19773 952 1 4 . 1 1 111 111 ARG N N 111 119.390 119.390 118.675 0.715 19773 953 1 4 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.998 -0.096 19773 954 1 4 . 1 1 111 111 ARG CA C 111 59.013 59.013 58.990 0.022 19773 955 1 4 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.655 0.310 19773 956 1 4 . 1 1 111 111 ARG H H 111 8.111 8.111 7.773 0.338 19773 957 1 4 . 1 1 112 112 LYS N N 112 120.418 120.418 119.306 1.112 19773 958 1 4 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.144 -0.085 19773 959 1 4 . 1 1 112 112 LYS CA C 112 58.715 58.715 58.549 0.166 19773 960 1 4 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.025 0.418 19773 961 1 4 . 1 1 112 112 LYS H H 112 8.273 8.273 7.790 0.483 19773 962 1 4 . 1 1 113 113 ALA N N 113 122.758 122.758 123.221 -0.463 19773 963 1 4 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.096 0.073 19773 964 1 4 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.197 -0.904 19773 965 1 4 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.153 -0.100 19773 966 1 4 . 1 1 113 113 ALA H H 113 7.978 7.978 8.260 -0.282 19773 967 1 4 . 1 1 114 114 ILE N N 114 120.171 120.171 118.334 1.837 19773 968 1 4 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.730 0.036 19773 969 1 4 . 1 1 114 114 ILE CA C 114 63.420 63.420 62.564 0.856 19773 970 1 4 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.387 1.691 19773 971 1 4 . 1 1 114 114 ILE H H 114 8.229 8.229 7.707 0.522 19773 972 1 4 . 1 1 115 115 ALA N N 115 123.999 123.999 122.897 1.102 19773 973 1 4 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.942 0.165 19773 974 1 4 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.583 -1.262 19773 975 1 4 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.118 -0.064 19773 976 1 4 . 1 1 115 115 ALA H H 115 8.072 8.072 7.784 0.288 19773 977 1 4 . 1 1 116 116 GLU N N 116 118.140 118.140 118.739 -0.599 19773 978 1 4 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.043 0.077 19773 979 1 4 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.077 -1.301 19773 980 1 4 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.448 -0.137 19773 981 1 4 . 1 1 116 116 GLU H H 116 8.313 8.313 8.196 0.117 19773 982 1 4 . 1 1 117 117 SER N N 117 115.640 115.640 115.931 -0.291 19773 983 1 4 . 1 1 117 117 SER HA H 117 4.291 4.291 4.219 0.072 19773 984 1 4 . 1 1 117 117 SER CA C 117 59.647 59.647 61.085 -1.438 19773 985 1 4 . 1 1 117 117 SER CB C 117 63.022 63.022 62.908 0.114 19773 986 1 4 . 1 1 117 117 SER H H 117 8.040 8.040 7.684 0.356 19773 987 1 4 . 1 1 118 118 LEU N N 118 122.593 122.593 119.901 2.692 19773 988 1 4 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.063 0.161 19773 989 1 4 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.028 -1.153 19773 990 1 4 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.014 -0.220 19773 991 1 4 . 1 1 118 118 LEU H H 118 7.968 7.968 7.980 -0.012 19773 992 1 4 . 1 1 119 119 ASN N N 119 117.828 117.828 114.187 3.641 19773 993 1 4 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.637 -0.003 19773 994 1 4 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.956 -0.423 19773 995 1 4 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.757 -0.212 19773 996 1 4 . 1 1 119 119 ASN H H 119 8.183 8.183 7.865 0.318 19773 997 1 4 . 1 1 120 120 SER N N 120 115.484 115.484 115.801 -0.317 19773 998 1 4 . 1 1 120 120 SER HA H 120 4.332 4.332 4.371 -0.039 19773 999 1 4 . 1 1 120 120 SER CA C 120 58.417 58.417 58.538 -0.121 19773 1000 1 4 . 1 1 120 120 SER CB C 120 63.386 63.386 63.796 -0.410 19773 1001 1 4 . 1 1 120 120 SER H H 120 8.183 8.183 7.553 0.630 19773 1002 1 4 . 1 1 121 121 CYS N N 121 123.139 123.139 126.137 -2.998 19773 1003 1 4 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.468 -3.570 19773 1004 1 4 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.040 1.524 19773 1005 1 4 . 1 1 121 121 CYS H H 121 8.450 8.450 8.401 0.049 19773 1006 1 4 . 1 1 124 124 SER N N 124 116.031 116.031 117.151 -1.120 19773 1007 1 4 . 1 1 124 124 SER HA H 124 4.311 4.311 4.325 -0.014 19773 1008 1 4 . 1 1 124 124 SER CA C 124 58.360 58.360 58.153 0.207 19773 1009 1 4 . 1 1 124 124 SER CB C 124 63.486 63.486 64.079 -0.593 19773 1010 1 4 . 1 1 124 124 SER H H 124 8.587 8.587 8.131 0.456 19773 1011 1 4 . 1 1 125 125 ASP N N 125 122.514 122.514 122.788 -0.274 19773 1012 1 4 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.723 -0.168 19773 1013 1 4 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.806 0.210 19773 1014 1 4 . 1 1 125 125 ASP CB C 125 40.864 40.864 43.086 -2.222 19773 1015 1 4 . 1 1 125 125 ASP H H 125 8.424 8.424 8.002 0.422 19773 1016 1 4 . 1 1 126 126 ALA N N 126 124.858 124.858 127.938 -3.080 19773 1017 1 4 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.100 0.123 19773 1018 1 4 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.594 -1.839 19773 1019 1 4 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.777 -0.083 19773 1020 1 4 . 1 1 126 126 ALA H H 126 8.398 8.398 8.660 -0.262 19773 1021 1 4 . 1 1 127 127 SER N N 127 114.781 114.781 113.761 1.020 19773 1022 1 4 . 1 1 127 127 SER HA H 127 4.296 4.296 4.384 -0.088 19773 1023 1 4 . 1 1 127 127 SER CA C 127 58.476 58.476 58.158 0.318 19773 1024 1 4 . 1 1 127 127 SER CB C 127 63.408 63.408 63.759 -0.351 19773 1025 1 4 . 1 1 127 127 SER H H 127 8.398 8.398 8.217 0.181 19773 1026 1 4 . 1 1 128 128 ALA N N 128 125.639 125.639 121.443 4.196 19773 1027 1 4 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.022 0.264 19773 1028 1 4 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.150 -0.738 19773 1029 1 4 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.075 1.925 19773 1030 1 4 . 1 1 128 128 ALA H H 128 8.261 8.261 7.881 0.380 19773 1031 1 4 . 1 1 129 129 THR N N 129 113.687 113.687 115.505 -1.818 19773 1032 1 4 . 1 1 129 129 THR HA H 129 4.223 4.223 4.234 -0.011 19773 1033 1 4 . 1 1 129 129 THR CA C 129 61.793 61.793 62.394 -0.601 19773 1034 1 4 . 1 1 129 129 THR CB C 129 69.378 69.378 69.508 -0.130 19773 1035 1 4 . 1 1 129 129 THR H H 129 8.196 8.196 7.679 0.517 19773 1036 1 4 . 1 1 130 130 ARG N N 130 124.467 124.467 126.271 -1.804 19773 1037 1 4 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.276 0.097 19773 1038 1 4 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.684 -1.116 19773 1039 1 4 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.874 -0.227 19773 1040 1 4 . 1 1 130 130 ARG H H 130 8.450 8.450 8.655 -0.205 19773 1041 1 5 . 1 1 -2 -2 LEU N N -2 122.671 122.671 119.307 3.364 19773 1042 1 5 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.231 0.047 19773 1043 1 5 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.013 0.272 19773 1044 1 5 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.567 0.271 19773 1045 1 5 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.691 1.007 19773 1046 1 5 . 1 1 -1 -1 GLY N N -1 109.817 109.817 105.064 4.753 19773 1047 1 5 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.516 0.582 19773 1048 1 5 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.640 0.895 19773 1049 1 5 . 1 1 75 75 LYS N N 75 122.983 122.983 120.615 2.368 19773 1050 1 5 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.284 -0.068 19773 1051 1 5 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.456 -0.085 19773 1052 1 5 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.849 -0.361 19773 1053 1 5 . 1 1 75 75 LYS H H 75 8.411 8.411 7.787 0.624 19773 1054 1 5 . 1 1 76 76 ILE N N 76 122.749 122.749 122.021 0.728 19773 1055 1 5 . 1 1 76 76 ILE HA H 76 4.059 4.059 3.974 0.085 19773 1056 1 5 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.247 -0.066 19773 1057 1 5 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.206 0.165 19773 1058 1 5 . 1 1 76 76 ILE H H 76 8.242 8.242 7.460 0.782 19773 1059 1 5 . 1 1 77 77 ALA N N 77 127.358 127.358 130.828 -3.470 19773 1060 1 5 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.301 -0.118 19773 1061 1 5 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.709 0.900 19773 1062 1 5 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.538 -0.726 19773 1063 1 5 . 1 1 77 77 ALA H H 77 8.463 8.463 8.271 0.192 19773 1064 1 5 . 1 1 78 78 GLN N N 78 119.077 119.077 121.115 -2.038 19773 1065 1 5 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.364 -0.150 19773 1066 1 5 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.622 -0.026 19773 1067 1 5 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.101 -0.085 19773 1068 1 5 . 1 1 78 78 GLN H H 78 8.359 8.359 8.556 -0.197 19773 1069 1 5 . 1 1 79 79 MET N N 79 121.781 121.781 124.895 -3.114 19773 1070 1 5 . 1 1 79 79 MET HA H 79 4.450 4.450 4.566 -0.116 19773 1071 1 5 . 1 1 79 79 MET CA C 79 55.906 55.906 55.449 0.457 19773 1072 1 5 . 1 1 79 79 MET CB C 79 34.019 34.019 33.348 0.671 19773 1073 1 5 . 1 1 79 79 MET H H 79 8.360 8.360 8.624 -0.264 19773 1074 1 5 . 1 1 83 83 GLU N N 83 120.249 120.249 121.148 -0.899 19773 1075 1 5 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.045 0.011 19773 1076 1 5 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.975 -0.174 19773 1077 1 5 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.807 -0.492 19773 1078 1 5 . 1 1 83 83 GLU H H 83 8.776 8.776 8.635 0.141 19773 1079 1 5 . 1 1 84 84 GLN N N 84 119.958 119.958 118.681 1.277 19773 1080 1 5 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.086 -0.101 19773 1081 1 5 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.372 -0.464 19773 1082 1 5 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.384 0.006 19773 1083 1 5 . 1 1 84 84 GLN H H 84 8.037 8.037 7.692 0.345 19773 1084 1 5 . 1 1 85 85 PHE N N 85 121.733 121.733 121.598 0.135 19773 1085 1 5 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.215 0.090 19773 1086 1 5 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.078 -0.822 19773 1087 1 5 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.024 -0.308 19773 1088 1 5 . 1 1 85 85 PHE H H 85 8.652 8.652 8.793 -0.141 19773 1089 1 5 . 1 1 86 86 ALA N N 86 121.811 121.811 121.957 -0.146 19773 1090 1 5 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.865 0.187 19773 1091 1 5 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.028 -0.713 19773 1092 1 5 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.124 -0.050 19773 1093 1 5 . 1 1 86 86 ALA H H 86 8.209 8.209 7.891 0.318 19773 1094 1 5 . 1 1 87 87 LEU N N 87 119.780 119.780 118.921 0.859 19773 1095 1 5 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.885 0.252 19773 1096 1 5 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.475 -0.649 19773 1097 1 5 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.576 0.029 19773 1098 1 5 . 1 1 87 87 LEU H H 87 7.877 7.877 7.659 0.218 19773 1099 1 5 . 1 1 88 88 ALA N N 88 122.593 122.593 122.448 0.145 19773 1100 1 5 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.911 0.141 19773 1101 1 5 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.146 -1.125 19773 1102 1 5 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.195 -0.426 19773 1103 1 5 . 1 1 88 88 ALA H H 88 8.020 8.020 8.253 -0.233 19773 1104 1 5 . 1 1 89 89 LEU N N 89 120.028 120.028 118.410 1.618 19773 1105 1 5 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.700 0.352 19773 1106 1 5 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.811 -1.309 19773 1107 1 5 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.367 0.170 19773 1108 1 5 . 1 1 89 89 LEU H H 89 8.021 8.021 7.457 0.564 19773 1109 1 5 . 1 1 90 90 LYS N N 90 120.483 120.483 119.304 1.179 19773 1110 1 5 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.928 0.220 19773 1111 1 5 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.485 -1.928 19773 1112 1 5 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.263 -0.048 19773 1113 1 5 . 1 1 90 90 LYS H H 90 7.896 7.896 7.451 0.445 19773 1114 1 5 . 1 1 91 91 MET N N 91 119.156 119.156 119.087 0.069 19773 1115 1 5 . 1 1 91 91 MET HA H 91 4.291 4.291 4.092 0.199 19773 1116 1 5 . 1 1 91 91 MET CA C 91 56.541 56.541 59.037 -2.496 19773 1117 1 5 . 1 1 91 91 MET H H 91 8.320 8.320 8.229 0.091 19773 1118 1 5 . 1 1 92 92 SER N N 92 116.382 116.382 116.559 -0.177 19773 1119 1 5 . 1 1 92 92 SER HA H 92 4.291 4.291 4.204 0.087 19773 1120 1 5 . 1 1 92 92 SER CA C 92 59.584 59.584 61.529 -1.945 19773 1121 1 5 . 1 1 92 92 SER CB C 92 63.074 63.074 63.075 -0.001 19773 1122 1 5 . 1 1 92 92 SER H H 92 8.297 8.297 8.353 -0.056 19773 1123 1 5 . 1 1 93 93 GLU N N 93 122.202 122.202 120.522 1.680 19773 1124 1 5 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.043 0.092 19773 1125 1 5 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.025 -1.517 19773 1126 1 5 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.249 0.364 19773 1127 1 5 . 1 1 93 93 GLU H H 93 8.313 8.313 7.881 0.432 19773 1128 1 5 . 1 1 94 94 GLN N N 94 119.546 119.546 118.942 0.604 19773 1129 1 5 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.098 0.037 19773 1130 1 5 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.238 -1.361 19773 1131 1 5 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.838 -0.012 19773 1132 1 5 . 1 1 94 94 GLN H H 94 8.177 8.177 7.612 0.565 19773 1133 1 5 . 1 1 95 95 GLU N N 95 121.030 121.030 117.154 3.876 19773 1134 1 5 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.286 -0.220 19773 1135 1 5 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.250 0.911 19773 1136 1 5 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.145 -0.239 19773 1137 1 5 . 1 1 95 95 GLU H H 95 8.281 8.281 7.740 0.541 19773 1138 1 5 . 1 1 96 96 ALA N N 96 123.530 123.530 118.962 4.568 19773 1139 1 5 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.907 0.276 19773 1140 1 5 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.437 -0.678 19773 1141 1 5 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.590 0.815 19773 1142 1 5 . 1 1 96 96 ALA H H 96 8.242 8.242 7.819 0.423 19773 1143 1 5 . 1 1 97 97 ARG N N 97 119.624 119.624 116.603 3.021 19773 1144 1 5 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.458 -0.249 19773 1145 1 5 . 1 1 97 97 ARG CA C 97 56.469 56.469 54.022 2.447 19773 1146 1 5 . 1 1 97 97 ARG CB C 97 30.641 30.641 33.758 -3.117 19773 1147 1 5 . 1 1 97 97 ARG H H 97 8.131 8.131 7.949 0.182 19773 1148 1 5 . 1 1 98 98 GLU N N 98 121.837 121.837 122.554 -0.717 19773 1149 1 5 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.221 -0.044 19773 1150 1 5 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.250 0.281 19773 1151 1 5 . 1 1 98 98 GLU CB C 98 29.665 29.665 28.579 1.086 19773 1152 1 5 . 1 1 98 98 GLU H H 98 8.374 8.374 8.700 -0.326 19773 1153 1 5 . 1 1 99 99 VAL N N 99 121.265 121.265 121.292 -0.027 19773 1154 1 5 . 1 1 99 99 VAL HA H 99 3.974 3.974 3.993 -0.019 19773 1155 1 5 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.712 0.791 19773 1156 1 5 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.802 -0.345 19773 1157 1 5 . 1 1 99 99 VAL H H 99 8.261 8.261 7.642 0.619 19773 1158 1 5 . 1 1 100 100 ASN N N 100 122.280 122.280 124.288 -2.008 19773 1159 1 5 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.701 0.017 19773 1160 1 5 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.501 -0.384 19773 1161 1 5 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.612 -0.844 19773 1162 1 5 . 1 1 100 100 ASN H H 100 8.639 8.639 8.188 0.451 19773 1163 1 5 . 1 1 101 101 SER N N 101 117.046 117.046 117.613 -0.567 19773 1164 1 5 . 1 1 101 101 SER HA H 101 4.349 4.349 4.256 0.093 19773 1165 1 5 . 1 1 101 101 SER CA C 101 58.970 58.970 61.929 -2.959 19773 1166 1 5 . 1 1 101 101 SER CB C 101 63.397 63.397 63.163 0.234 19773 1167 1 5 . 1 1 101 101 SER H H 101 8.542 8.542 8.898 -0.356 19773 1168 1 5 . 1 1 102 102 GLN N N 102 122.514 122.514 118.928 3.586 19773 1169 1 5 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.182 0.021 19773 1170 1 5 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.288 -2.118 19773 1171 1 5 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.328 0.061 19773 1172 1 5 . 1 1 102 102 GLN H H 102 8.594 8.594 8.498 0.096 19773 1173 1 5 . 1 1 103 103 GLU N N 103 120.874 120.874 120.157 0.717 19773 1174 1 5 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.009 0.084 19773 1175 1 5 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.279 -1.286 19773 1176 1 5 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.151 0.338 19773 1177 1 5 . 1 1 103 103 GLU H H 103 8.496 8.496 8.571 -0.075 19773 1178 1 5 . 1 1 104 104 GLU N N 104 120.874 120.874 118.639 2.235 19773 1179 1 5 . 1 1 104 104 GLU HA H 104 4.122 4.122 3.971 0.151 19773 1180 1 5 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.548 -1.702 19773 1181 1 5 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.457 0.186 19773 1182 1 5 . 1 1 104 104 GLU H H 104 8.379 8.379 8.274 0.105 19773 1183 1 5 . 1 1 105 105 GLU N N 105 121.421 121.421 119.117 2.304 19773 1184 1 5 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.050 0.071 19773 1185 1 5 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.343 -1.261 19773 1186 1 5 . 1 1 105 105 GLU H H 105 8.437 8.437 7.713 0.724 19773 1187 1 5 . 1 1 106 106 GLU N N 106 120.640 120.640 119.032 1.608 19773 1188 1 5 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.065 -0.061 19773 1189 1 5 . 1 1 106 106 GLU CA C 106 58.675 58.675 58.809 -0.134 19773 1190 1 5 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.657 -0.336 19773 1191 1 5 . 1 1 106 106 GLU H H 106 8.463 8.463 7.590 0.873 19773 1192 1 5 . 1 1 107 107 GLU N N 107 120.249 120.249 120.249 0.000 19773 1193 1 5 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.001 0.044 19773 1194 1 5 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.283 -0.281 19773 1195 1 5 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.277 -0.241 19773 1196 1 5 . 1 1 107 107 GLU H H 107 8.385 8.385 8.454 -0.069 19773 1197 1 5 . 1 1 108 108 GLU N N 108 120.902 120.902 119.807 1.095 19773 1198 1 5 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.089 0.039 19773 1199 1 5 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.173 -0.771 19773 1200 1 5 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.129 -0.309 19773 1201 1 5 . 1 1 108 108 GLU H H 108 8.125 8.125 7.804 0.321 19773 1202 1 5 . 1 1 109 109 LEU N N 109 120.327 120.327 120.091 0.236 19773 1203 1 5 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.072 -0.078 19773 1204 1 5 . 1 1 109 109 LEU CA C 109 57.460 57.460 58.061 -0.601 19773 1205 1 5 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.700 -0.215 19773 1206 1 5 . 1 1 109 109 LEU H H 109 8.085 8.085 7.468 0.617 19773 1207 1 5 . 1 1 110 110 LEU N N 110 121.108 121.108 119.453 1.655 19773 1208 1 5 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.850 0.305 19773 1209 1 5 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.176 -0.979 19773 1210 1 5 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.300 0.172 19773 1211 1 5 . 1 1 110 110 LEU H H 110 7.948 7.948 7.900 0.048 19773 1212 1 5 . 1 1 111 111 ARG N N 111 119.390 119.390 118.581 0.809 19773 1213 1 5 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.901 0.001 19773 1214 1 5 . 1 1 111 111 ARG CA C 111 59.013 59.013 60.119 -1.106 19773 1215 1 5 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.952 0.013 19773 1216 1 5 . 1 1 111 111 ARG H H 111 8.111 8.111 8.410 -0.299 19773 1217 1 5 . 1 1 112 112 LYS N N 112 120.418 120.418 120.084 0.334 19773 1218 1 5 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.989 0.070 19773 1219 1 5 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.652 -0.937 19773 1220 1 5 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.322 0.121 19773 1221 1 5 . 1 1 112 112 LYS H H 112 8.273 8.273 7.799 0.474 19773 1222 1 5 . 1 1 113 113 ALA N N 113 122.758 122.758 122.013 0.745 19773 1223 1 5 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.078 0.091 19773 1224 1 5 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.055 -0.762 19773 1225 1 5 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.137 -0.085 19773 1226 1 5 . 1 1 113 113 ALA H H 113 7.978 7.978 7.867 0.111 19773 1227 1 5 . 1 1 114 114 ILE N N 114 120.171 120.171 119.130 1.041 19773 1228 1 5 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.589 0.177 19773 1229 1 5 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.278 -1.858 19773 1230 1 5 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.793 0.285 19773 1231 1 5 . 1 1 114 114 ILE H H 114 8.229 8.229 8.002 0.227 19773 1232 1 5 . 1 1 115 115 ALA N N 115 123.999 123.999 121.615 2.384 19773 1233 1 5 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.976 0.131 19773 1234 1 5 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.375 -1.054 19773 1235 1 5 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.989 0.065 19773 1236 1 5 . 1 1 115 115 ALA H H 115 8.072 8.072 8.061 0.011 19773 1237 1 5 . 1 1 116 116 GLU N N 116 118.140 118.140 118.783 -0.643 19773 1238 1 5 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.053 0.067 19773 1239 1 5 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.659 -0.883 19773 1240 1 5 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.264 0.047 19773 1241 1 5 . 1 1 116 116 GLU H H 116 8.313 8.313 8.481 -0.168 19773 1242 1 5 . 1 1 117 117 SER N N 117 115.640 115.640 115.306 0.334 19773 1243 1 5 . 1 1 117 117 SER HA H 117 4.291 4.291 4.195 0.096 19773 1244 1 5 . 1 1 117 117 SER CA C 117 59.647 59.647 62.141 -2.494 19773 1245 1 5 . 1 1 117 117 SER CB C 117 63.022 63.022 63.111 -0.089 19773 1246 1 5 . 1 1 117 117 SER H H 117 8.040 8.040 8.100 -0.060 19773 1247 1 5 . 1 1 118 118 LEU N N 118 122.593 122.593 118.310 4.283 19773 1248 1 5 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.156 0.068 19773 1249 1 5 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.683 -0.808 19773 1250 1 5 . 1 1 118 118 LEU CB C 118 41.794 41.794 41.768 0.026 19773 1251 1 5 . 1 1 118 118 LEU H H 118 7.968 7.968 7.711 0.257 19773 1252 1 5 . 1 1 119 119 ASN N N 119 117.828 117.828 115.120 2.708 19773 1253 1 5 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.711 -0.077 19773 1254 1 5 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.587 -1.054 19773 1255 1 5 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.394 -0.849 19773 1256 1 5 . 1 1 119 119 ASN H H 119 8.183 8.183 7.775 0.408 19773 1257 1 5 . 1 1 120 120 SER N N 120 115.484 115.484 115.848 -0.364 19773 1258 1 5 . 1 1 120 120 SER HA H 120 4.332 4.332 4.522 -0.190 19773 1259 1 5 . 1 1 120 120 SER CA C 120 58.417 58.417 58.825 -0.408 19773 1260 1 5 . 1 1 120 120 SER CB C 120 63.386 63.386 64.400 -1.014 19773 1261 1 5 . 1 1 120 120 SER H H 120 8.183 8.183 7.847 0.336 19773 1262 1 5 . 1 1 121 121 CYS N N 121 123.139 123.139 121.627 1.512 19773 1263 1 5 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.062 -3.164 19773 1264 1 5 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.577 1.987 19773 1265 1 5 . 1 1 121 121 CYS H H 121 8.450 8.450 8.310 0.140 19773 1266 1 5 . 1 1 124 124 SER N N 124 116.031 116.031 117.476 -1.445 19773 1267 1 5 . 1 1 124 124 SER HA H 124 4.311 4.311 4.439 -0.128 19773 1268 1 5 . 1 1 124 124 SER CA C 124 58.360 58.360 58.035 0.325 19773 1269 1 5 . 1 1 124 124 SER CB C 124 63.486 63.486 63.917 -0.431 19773 1270 1 5 . 1 1 124 124 SER H H 124 8.587 8.587 8.292 0.295 19773 1271 1 5 . 1 1 125 125 ASP N N 125 122.514 122.514 124.143 -1.629 19773 1272 1 5 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.578 -0.023 19773 1273 1 5 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.152 -0.136 19773 1274 1 5 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.009 -0.145 19773 1275 1 5 . 1 1 125 125 ASP H H 125 8.424 8.424 8.365 0.059 19773 1276 1 5 . 1 1 126 126 ALA N N 126 124.858 124.858 126.620 -1.762 19773 1277 1 5 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.180 0.043 19773 1278 1 5 . 1 1 126 126 ALA CA C 126 52.755 52.755 53.680 -0.925 19773 1279 1 5 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.134 -0.439 19773 1280 1 5 . 1 1 126 126 ALA H H 126 8.398 8.398 8.447 -0.049 19773 1281 1 5 . 1 1 127 127 SER N N 127 114.781 114.781 115.926 -1.145 19773 1282 1 5 . 1 1 127 127 SER HA H 127 4.296 4.296 4.324 -0.028 19773 1283 1 5 . 1 1 127 127 SER CA C 127 58.476 58.476 58.483 -0.007 19773 1284 1 5 . 1 1 127 127 SER CB C 127 63.408 63.408 63.605 -0.197 19773 1285 1 5 . 1 1 127 127 SER H H 127 8.398 8.398 7.924 0.474 19773 1286 1 5 . 1 1 128 128 ALA N N 128 125.639 125.639 121.092 4.547 19773 1287 1 5 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.100 0.186 19773 1288 1 5 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.020 -0.608 19773 1289 1 5 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.388 1.612 19773 1290 1 5 . 1 1 128 128 ALA H H 128 8.261 8.261 8.034 0.227 19773 1291 1 5 . 1 1 129 129 THR N N 129 113.687 113.687 117.006 -3.319 19773 1292 1 5 . 1 1 129 129 THR HA H 129 4.223 4.223 4.271 -0.048 19773 1293 1 5 . 1 1 129 129 THR CA C 129 61.793 61.793 62.835 -1.042 19773 1294 1 5 . 1 1 129 129 THR CB C 129 69.378 69.378 69.423 -0.045 19773 1295 1 5 . 1 1 129 129 THR H H 129 8.196 8.196 7.609 0.587 19773 1296 1 5 . 1 1 130 130 ARG N N 130 124.467 124.467 126.081 -1.614 19773 1297 1 5 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.367 0.006 19773 1298 1 5 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.166 -0.598 19773 1299 1 5 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.422 0.225 19773 1300 1 5 . 1 1 130 130 ARG H H 130 8.450 8.450 8.431 0.019 19773 1301 1 6 . 1 1 -2 -2 LEU N N -2 122.671 122.671 121.707 0.964 19773 1302 1 6 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.180 0.098 19773 1303 1 6 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.353 -0.068 19773 1304 1 6 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.986 -0.148 19773 1305 1 6 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.378 0.320 19773 1306 1 6 . 1 1 -1 -1 GLY N N -1 109.817 109.817 104.624 5.193 19773 1307 1 6 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.272 0.826 19773 1308 1 6 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.698 0.837 19773 1309 1 6 . 1 1 75 75 LYS N N 75 122.983 122.983 119.800 3.183 19773 1310 1 6 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.309 -0.093 19773 1311 1 6 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.365 0.006 19773 1312 1 6 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.040 -0.552 19773 1313 1 6 . 1 1 75 75 LYS H H 75 8.411 8.411 7.852 0.559 19773 1314 1 6 . 1 1 76 76 ILE N N 76 122.749 122.749 121.603 1.146 19773 1315 1 6 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.095 -0.036 19773 1316 1 6 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.299 1.882 19773 1317 1 6 . 1 1 76 76 ILE CB C 76 38.371 38.371 36.908 1.463 19773 1318 1 6 . 1 1 76 76 ILE H H 76 8.242 8.242 7.321 0.921 19773 1319 1 6 . 1 1 77 77 ALA N N 77 127.358 127.358 131.237 -3.879 19773 1320 1 6 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.326 -0.143 19773 1321 1 6 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.674 0.935 19773 1322 1 6 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.307 -0.495 19773 1323 1 6 . 1 1 77 77 ALA H H 77 8.463 8.463 8.123 0.340 19773 1324 1 6 . 1 1 78 78 GLN N N 78 119.077 119.077 121.170 -2.093 19773 1325 1 6 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.265 -0.051 19773 1326 1 6 . 1 1 78 78 GLN CA C 78 55.596 55.596 56.047 -0.451 19773 1327 1 6 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.501 -0.485 19773 1328 1 6 . 1 1 78 78 GLN H H 78 8.359 8.359 8.363 -0.004 19773 1329 1 6 . 1 1 79 79 MET N N 79 121.781 121.781 122.982 -1.201 19773 1330 1 6 . 1 1 79 79 MET HA H 79 4.450 4.450 4.480 -0.030 19773 1331 1 6 . 1 1 79 79 MET CA C 79 55.906 55.906 55.093 0.813 19773 1332 1 6 . 1 1 79 79 MET CB C 79 34.019 34.019 33.251 0.769 19773 1333 1 6 . 1 1 79 79 MET H H 79 8.360 8.360 8.421 -0.061 19773 1334 1 6 . 1 1 83 83 GLU N N 83 120.249 120.249 120.483 -0.234 19773 1335 1 6 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.054 0.002 19773 1336 1 6 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.773 0.028 19773 1337 1 6 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.460 -0.145 19773 1338 1 6 . 1 1 83 83 GLU H H 83 8.776 8.776 8.840 -0.064 19773 1339 1 6 . 1 1 84 84 GLN N N 84 119.958 119.958 119.553 0.405 19773 1340 1 6 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.061 -0.076 19773 1341 1 6 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.378 -0.470 19773 1342 1 6 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.690 -0.300 19773 1343 1 6 . 1 1 84 84 GLN H H 84 8.037 8.037 7.616 0.421 19773 1344 1 6 . 1 1 85 85 PHE N N 85 121.733 121.733 120.769 0.964 19773 1345 1 6 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.170 0.135 19773 1346 1 6 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.105 -0.849 19773 1347 1 6 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.103 -0.387 19773 1348 1 6 . 1 1 85 85 PHE H H 85 8.652 8.652 8.309 0.343 19773 1349 1 6 . 1 1 86 86 ALA N N 86 121.811 121.811 121.876 -0.065 19773 1350 1 6 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.926 0.126 19773 1351 1 6 . 1 1 86 86 ALA CA C 86 54.315 54.315 54.994 -0.679 19773 1352 1 6 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.084 -0.010 19773 1353 1 6 . 1 1 86 86 ALA H H 86 8.209 8.209 7.961 0.248 19773 1354 1 6 . 1 1 87 87 LEU N N 87 119.780 119.780 120.098 -0.318 19773 1355 1 6 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.948 0.189 19773 1356 1 6 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.412 -0.586 19773 1357 1 6 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.380 0.225 19773 1358 1 6 . 1 1 87 87 LEU H H 87 7.877 7.877 7.832 0.045 19773 1359 1 6 . 1 1 88 88 ALA N N 88 122.593 122.593 121.726 0.867 19773 1360 1 6 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.907 0.145 19773 1361 1 6 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.001 -0.980 19773 1362 1 6 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.065 -0.297 19773 1363 1 6 . 1 1 88 88 ALA H H 88 8.020 8.020 7.583 0.437 19773 1364 1 6 . 1 1 89 89 LEU N N 89 120.028 120.028 118.595 1.433 19773 1365 1 6 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.897 0.155 19773 1366 1 6 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.609 -1.107 19773 1367 1 6 . 1 1 89 89 LEU CB C 89 41.538 41.538 40.718 0.820 19773 1368 1 6 . 1 1 89 89 LEU H H 89 8.021 8.021 7.466 0.555 19773 1369 1 6 . 1 1 90 90 LYS N N 90 120.483 120.483 120.014 0.469 19773 1370 1 6 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.933 0.215 19773 1371 1 6 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.564 -2.007 19773 1372 1 6 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.366 -0.151 19773 1373 1 6 . 1 1 90 90 LYS H H 90 7.896 7.896 7.899 -0.003 19773 1374 1 6 . 1 1 91 91 MET N N 91 119.156 119.156 118.879 0.277 19773 1375 1 6 . 1 1 91 91 MET HA H 91 4.291 4.291 4.095 0.196 19773 1376 1 6 . 1 1 91 91 MET CA C 91 56.541 56.541 59.171 -2.630 19773 1377 1 6 . 1 1 91 91 MET H H 91 8.320 8.320 8.376 -0.056 19773 1378 1 6 . 1 1 92 92 SER N N 92 116.382 116.382 114.986 1.396 19773 1379 1 6 . 1 1 92 92 SER HA H 92 4.291 4.291 4.055 0.236 19773 1380 1 6 . 1 1 92 92 SER CA C 92 59.584 59.584 62.058 -2.474 19773 1381 1 6 . 1 1 92 92 SER CB C 92 63.074 63.074 62.963 0.111 19773 1382 1 6 . 1 1 92 92 SER H H 92 8.297 8.297 7.801 0.496 19773 1383 1 6 . 1 1 93 93 GLU N N 93 122.202 122.202 119.972 2.230 19773 1384 1 6 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.011 0.124 19773 1385 1 6 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.953 -1.445 19773 1386 1 6 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.315 0.298 19773 1387 1 6 . 1 1 93 93 GLU H H 93 8.313 8.313 7.834 0.479 19773 1388 1 6 . 1 1 94 94 GLN N N 94 119.546 119.546 118.007 1.539 19773 1389 1 6 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.114 0.021 19773 1390 1 6 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.102 -1.225 19773 1391 1 6 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.831 -0.005 19773 1392 1 6 . 1 1 94 94 GLN H H 94 8.177 8.177 7.708 0.469 19773 1393 1 6 . 1 1 95 95 GLU N N 95 121.030 121.030 115.869 5.161 19773 1394 1 6 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.435 -0.369 19773 1395 1 6 . 1 1 95 95 GLU CA C 95 57.161 57.161 55.812 1.349 19773 1396 1 6 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.772 -0.866 19773 1397 1 6 . 1 1 95 95 GLU H H 95 8.281 8.281 7.741 0.540 19773 1398 1 6 . 1 1 96 96 ALA N N 96 123.530 123.530 121.998 1.532 19773 1399 1 6 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.938 0.245 19773 1400 1 6 . 1 1 96 96 ALA CA C 96 52.759 52.759 54.027 -1.268 19773 1401 1 6 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.409 0.996 19773 1402 1 6 . 1 1 96 96 ALA H H 96 8.242 8.242 8.176 0.066 19773 1403 1 6 . 1 1 97 97 ARG N N 97 119.624 119.624 118.780 0.844 19773 1404 1 6 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.982 0.227 19773 1405 1 6 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.666 -1.197 19773 1406 1 6 . 1 1 97 97 ARG CB C 97 30.641 30.641 28.791 1.850 19773 1407 1 6 . 1 1 97 97 ARG H H 97 8.131 8.131 8.347 -0.216 19773 1408 1 6 . 1 1 98 98 GLU N N 98 121.837 121.837 116.139 5.698 19773 1409 1 6 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.341 -0.164 19773 1410 1 6 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.104 0.427 19773 1411 1 6 . 1 1 98 98 GLU CB C 98 29.665 29.665 31.149 -1.484 19773 1412 1 6 . 1 1 98 98 GLU H H 98 8.374 8.374 8.064 0.310 19773 1413 1 6 . 1 1 99 99 VAL N N 99 121.265 121.265 121.976 -0.711 19773 1414 1 6 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.125 -0.151 19773 1415 1 6 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.141 0.362 19773 1416 1 6 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.545 -0.088 19773 1417 1 6 . 1 1 99 99 VAL H H 99 8.261 8.261 8.084 0.177 19773 1418 1 6 . 1 1 100 100 ASN N N 100 122.280 122.280 123.491 -1.211 19773 1419 1 6 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.723 -0.005 19773 1420 1 6 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.545 -0.428 19773 1421 1 6 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.478 -0.710 19773 1422 1 6 . 1 1 100 100 ASN H H 100 8.639 8.639 8.582 0.057 19773 1423 1 6 . 1 1 101 101 SER N N 101 117.046 117.046 120.904 -3.858 19773 1424 1 6 . 1 1 101 101 SER HA H 101 4.349 4.349 4.209 0.140 19773 1425 1 6 . 1 1 101 101 SER CA C 101 58.970 58.970 61.887 -2.917 19773 1426 1 6 . 1 1 101 101 SER CB C 101 63.397 63.397 63.399 -0.002 19773 1427 1 6 . 1 1 101 101 SER H H 101 8.542 8.542 9.018 -0.476 19773 1428 1 6 . 1 1 102 102 GLN N N 102 122.514 122.514 120.814 1.700 19773 1429 1 6 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.021 0.182 19773 1430 1 6 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.336 -2.166 19773 1431 1 6 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.435 -0.046 19773 1432 1 6 . 1 1 102 102 GLN H H 102 8.594 8.594 8.651 -0.057 19773 1433 1 6 . 1 1 103 103 GLU N N 103 120.874 120.874 118.269 2.605 19773 1434 1 6 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.068 0.025 19773 1435 1 6 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.460 -1.467 19773 1436 1 6 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.988 0.501 19773 1437 1 6 . 1 1 103 103 GLU H H 103 8.496 8.496 8.662 -0.166 19773 1438 1 6 . 1 1 104 104 GLU N N 104 120.874 120.874 120.095 0.779 19773 1439 1 6 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.277 -0.155 19773 1440 1 6 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.095 -1.248 19773 1441 1 6 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.625 0.018 19773 1442 1 6 . 1 1 104 104 GLU H H 104 8.379 8.379 7.847 0.532 19773 1443 1 6 . 1 1 105 105 GLU N N 105 121.421 121.421 120.030 1.391 19773 1444 1 6 . 1 1 105 105 GLU HA H 105 4.121 4.121 3.989 0.132 19773 1445 1 6 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.567 -1.485 19773 1446 1 6 . 1 1 105 105 GLU H H 105 8.437 8.437 8.116 0.321 19773 1447 1 6 . 1 1 106 106 GLU N N 106 120.640 120.640 118.605 2.035 19773 1448 1 6 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.046 -0.042 19773 1449 1 6 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.341 -0.666 19773 1450 1 6 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.244 0.077 19773 1451 1 6 . 1 1 106 106 GLU H H 106 8.463 8.463 7.850 0.613 19773 1452 1 6 . 1 1 107 107 GLU N N 107 120.249 120.249 119.762 0.487 19773 1453 1 6 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.015 0.030 19773 1454 1 6 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.484 -0.483 19773 1455 1 6 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.448 -0.412 19773 1456 1 6 . 1 1 107 107 GLU H H 107 8.385 8.385 7.923 0.462 19773 1457 1 6 . 1 1 108 108 GLU N N 108 120.902 120.902 119.441 1.461 19773 1458 1 6 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.095 0.033 19773 1459 1 6 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.055 -0.653 19773 1460 1 6 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.375 -0.555 19773 1461 1 6 . 1 1 108 108 GLU H H 108 8.125 8.125 7.858 0.267 19773 1462 1 6 . 1 1 109 109 LEU N N 109 120.327 120.327 120.058 0.269 19773 1463 1 6 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.032 -0.038 19773 1464 1 6 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.565 -0.105 19773 1465 1 6 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.743 -0.258 19773 1466 1 6 . 1 1 109 109 LEU H H 109 8.085 8.085 7.874 0.211 19773 1467 1 6 . 1 1 110 110 LEU N N 110 121.108 121.108 120.279 0.829 19773 1468 1 6 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.960 0.195 19773 1469 1 6 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.044 -0.847 19773 1470 1 6 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.534 -0.062 19773 1471 1 6 . 1 1 110 110 LEU H H 110 7.948 7.948 8.087 -0.139 19773 1472 1 6 . 1 1 111 111 ARG N N 111 119.390 119.390 119.143 0.247 19773 1473 1 6 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.909 -0.007 19773 1474 1 6 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.715 -0.702 19773 1475 1 6 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.036 -0.071 19773 1476 1 6 . 1 1 111 111 ARG H H 111 8.111 8.111 7.951 0.160 19773 1477 1 6 . 1 1 112 112 LYS N N 112 120.418 120.418 118.703 1.715 19773 1478 1 6 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.038 0.021 19773 1479 1 6 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.057 -0.342 19773 1480 1 6 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.127 0.316 19773 1481 1 6 . 1 1 112 112 LYS H H 112 8.273 8.273 7.792 0.481 19773 1482 1 6 . 1 1 113 113 ALA N N 113 122.758 122.758 122.832 -0.074 19773 1483 1 6 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.316 -0.147 19773 1484 1 6 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.905 -0.612 19773 1485 1 6 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.338 -0.285 19773 1486 1 6 . 1 1 113 113 ALA H H 113 7.978 7.978 7.889 0.089 19773 1487 1 6 . 1 1 114 114 ILE N N 114 120.171 120.171 118.984 1.187 19773 1488 1 6 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.600 0.166 19773 1489 1 6 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.298 -1.878 19773 1490 1 6 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.841 0.237 19773 1491 1 6 . 1 1 114 114 ILE H H 114 8.229 8.229 7.768 0.462 19773 1492 1 6 . 1 1 115 115 ALA N N 115 123.999 123.999 121.949 2.050 19773 1493 1 6 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.945 0.162 19773 1494 1 6 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.404 -1.083 19773 1495 1 6 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.930 0.124 19773 1496 1 6 . 1 1 115 115 ALA H H 115 8.072 8.072 7.910 0.162 19773 1497 1 6 . 1 1 116 116 GLU N N 116 118.140 118.140 118.749 -0.609 19773 1498 1 6 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.926 0.194 19773 1499 1 6 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.274 -1.498 19773 1500 1 6 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.534 -0.223 19773 1501 1 6 . 1 1 116 116 GLU H H 116 8.313 8.313 8.238 0.075 19773 1502 1 6 . 1 1 117 117 SER N N 117 115.640 115.640 115.364 0.276 19773 1503 1 6 . 1 1 117 117 SER HA H 117 4.291 4.291 4.121 0.170 19773 1504 1 6 . 1 1 117 117 SER CA C 117 59.647 59.647 61.489 -1.842 19773 1505 1 6 . 1 1 117 117 SER CB C 117 63.022 63.022 63.318 -0.296 19773 1506 1 6 . 1 1 117 117 SER H H 117 8.040 8.040 7.738 0.302 19773 1507 1 6 . 1 1 118 118 LEU N N 118 122.593 122.593 118.926 3.667 19773 1508 1 6 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.061 0.163 19773 1509 1 6 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.967 -1.092 19773 1510 1 6 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.145 -0.351 19773 1511 1 6 . 1 1 118 118 LEU H H 118 7.968 7.968 7.712 0.256 19773 1512 1 6 . 1 1 119 119 ASN N N 119 117.828 117.828 114.130 3.698 19773 1513 1 6 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.660 -0.026 19773 1514 1 6 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.165 -0.632 19773 1515 1 6 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.715 -0.170 19773 1516 1 6 . 1 1 119 119 ASN H H 119 8.183 8.183 7.799 0.384 19773 1517 1 6 . 1 1 120 120 SER N N 120 115.484 115.484 115.484 0.000 19773 1518 1 6 . 1 1 120 120 SER HA H 120 4.332 4.332 4.452 -0.120 19773 1519 1 6 . 1 1 120 120 SER CA C 120 58.417 58.417 58.115 0.302 19773 1520 1 6 . 1 1 120 120 SER CB C 120 63.386 63.386 64.462 -1.076 19773 1521 1 6 . 1 1 120 120 SER H H 120 8.183 8.183 7.664 0.519 19773 1522 1 6 . 1 1 121 121 CYS N N 121 123.139 123.139 124.446 -1.307 19773 1523 1 6 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.020 -3.122 19773 1524 1 6 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.060 1.504 19773 1525 1 6 . 1 1 121 121 CYS H H 121 8.450 8.450 8.401 0.049 19773 1526 1 6 . 1 1 124 124 SER N N 124 116.031 116.031 119.041 -3.010 19773 1527 1 6 . 1 1 124 124 SER HA H 124 4.311 4.311 4.348 -0.037 19773 1528 1 6 . 1 1 124 124 SER CA C 124 58.360 58.360 58.353 0.007 19773 1529 1 6 . 1 1 124 124 SER CB C 124 63.486 63.486 64.040 -0.553 19773 1530 1 6 . 1 1 124 124 SER H H 124 8.587 8.587 8.133 0.454 19773 1531 1 6 . 1 1 125 125 ASP N N 125 122.514 122.514 121.684 0.830 19773 1532 1 6 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.568 -0.013 19773 1533 1 6 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.877 -0.861 19773 1534 1 6 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.763 -0.899 19773 1535 1 6 . 1 1 125 125 ASP H H 125 8.424 8.424 8.604 -0.180 19773 1536 1 6 . 1 1 126 126 ALA N N 126 124.858 124.858 126.251 -1.393 19773 1537 1 6 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.073 0.150 19773 1538 1 6 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.475 -1.720 19773 1539 1 6 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.094 -0.399 19773 1540 1 6 . 1 1 126 126 ALA H H 126 8.398 8.398 8.540 -0.142 19773 1541 1 6 . 1 1 127 127 SER N N 127 114.781 114.781 114.073 0.708 19773 1542 1 6 . 1 1 127 127 SER HA H 127 4.296 4.296 4.352 -0.056 19773 1543 1 6 . 1 1 127 127 SER CA C 127 58.476 58.476 58.210 0.266 19773 1544 1 6 . 1 1 127 127 SER CB C 127 63.408 63.408 63.161 0.247 19773 1545 1 6 . 1 1 127 127 SER H H 127 8.398 8.398 7.990 0.408 19773 1546 1 6 . 1 1 128 128 ALA N N 128 125.639 125.639 121.888 3.751 19773 1547 1 6 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.028 0.258 19773 1548 1 6 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.270 -0.859 19773 1549 1 6 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.120 1.880 19773 1550 1 6 . 1 1 128 128 ALA H H 128 8.261 8.261 7.718 0.543 19773 1551 1 6 . 1 1 129 129 THR N N 129 113.687 113.687 111.954 1.733 19773 1552 1 6 . 1 1 129 129 THR HA H 129 4.223 4.223 4.316 -0.093 19773 1553 1 6 . 1 1 129 129 THR CA C 129 61.793 61.793 61.117 0.676 19773 1554 1 6 . 1 1 129 129 THR CB C 129 69.378 69.378 70.082 -0.704 19773 1555 1 6 . 1 1 129 129 THR H H 129 8.196 8.196 7.635 0.561 19773 1556 1 6 . 1 1 130 130 ARG N N 130 124.467 124.467 123.260 1.207 19773 1557 1 6 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.325 0.048 19773 1558 1 6 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.363 -0.795 19773 1559 1 6 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.678 -0.031 19773 1560 1 6 . 1 1 130 130 ARG H H 130 8.450 8.450 8.426 0.024 19773 1561 1 7 . 1 1 -2 -2 LEU N N -2 122.671 122.671 119.336 3.335 19773 1562 1 7 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.111 0.167 19773 1563 1 7 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.741 -0.456 19773 1564 1 7 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 39.943 1.895 19773 1565 1 7 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.642 0.056 19773 1566 1 7 . 1 1 -1 -1 GLY N N -1 109.817 109.817 107.627 2.190 19773 1567 1 7 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.389 0.709 19773 1568 1 7 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.686 0.849 19773 1569 1 7 . 1 1 75 75 LYS N N 75 122.983 122.983 120.310 2.673 19773 1570 1 7 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.245 -0.029 19773 1571 1 7 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.886 -0.516 19773 1572 1 7 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.376 -0.888 19773 1573 1 7 . 1 1 75 75 LYS H H 75 8.411 8.411 7.875 0.536 19773 1574 1 7 . 1 1 76 76 ILE N N 76 122.749 122.749 121.686 1.063 19773 1575 1 7 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.102 -0.043 19773 1576 1 7 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.499 1.681 19773 1577 1 7 . 1 1 76 76 ILE CB C 76 38.371 38.371 37.076 1.295 19773 1578 1 7 . 1 1 76 76 ILE H H 76 8.242 8.242 7.371 0.871 19773 1579 1 7 . 1 1 77 77 ALA N N 77 127.358 127.358 131.789 -4.431 19773 1580 1 7 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.513 -0.330 19773 1581 1 7 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.525 1.084 19773 1582 1 7 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.262 -0.450 19773 1583 1 7 . 1 1 77 77 ALA H H 77 8.463 8.463 8.441 0.022 19773 1584 1 7 . 1 1 78 78 GLN N N 78 119.077 119.077 123.487 -4.410 19773 1585 1 7 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.346 -0.132 19773 1586 1 7 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.273 0.323 19773 1587 1 7 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.760 -0.744 19773 1588 1 7 . 1 1 78 78 GLN H H 78 8.359 8.359 8.496 -0.137 19773 1589 1 7 . 1 1 79 79 MET N N 79 121.781 121.781 124.377 -2.596 19773 1590 1 7 . 1 1 79 79 MET HA H 79 4.450 4.450 4.516 -0.066 19773 1591 1 7 . 1 1 79 79 MET CA C 79 55.906 55.906 55.438 0.468 19773 1592 1 7 . 1 1 79 79 MET CB C 79 34.019 34.019 33.124 0.895 19773 1593 1 7 . 1 1 79 79 MET H H 79 8.360 8.360 8.412 -0.052 19773 1594 1 7 . 1 1 83 83 GLU N N 83 120.249 120.249 121.449 -1.200 19773 1595 1 7 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.050 0.006 19773 1596 1 7 . 1 1 83 83 GLU CA C 83 58.801 58.801 59.055 -0.254 19773 1597 1 7 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.656 -0.341 19773 1598 1 7 . 1 1 83 83 GLU H H 83 8.776 8.776 8.713 0.063 19773 1599 1 7 . 1 1 84 84 GLN N N 84 119.958 119.958 118.683 1.275 19773 1600 1 7 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.088 -0.103 19773 1601 1 7 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.440 -0.532 19773 1602 1 7 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.444 -0.054 19773 1603 1 7 . 1 1 84 84 GLN H H 84 8.037 8.037 7.564 0.473 19773 1604 1 7 . 1 1 85 85 PHE N N 85 121.733 121.733 120.813 0.920 19773 1605 1 7 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.101 0.204 19773 1606 1 7 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.280 -1.024 19773 1607 1 7 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.951 -0.235 19773 1608 1 7 . 1 1 85 85 PHE H H 85 8.652 8.652 7.991 0.661 19773 1609 1 7 . 1 1 86 86 ALA N N 86 121.811 121.811 122.448 -0.637 19773 1610 1 7 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.938 0.114 19773 1611 1 7 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.174 -0.859 19773 1612 1 7 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.085 -0.011 19773 1613 1 7 . 1 1 86 86 ALA H H 86 8.209 8.209 8.155 0.054 19773 1614 1 7 . 1 1 87 87 LEU N N 87 119.780 119.780 119.162 0.618 19773 1615 1 7 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.871 0.266 19773 1616 1 7 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.764 -0.938 19773 1617 1 7 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.625 -0.020 19773 1618 1 7 . 1 1 87 87 LEU H H 87 7.877 7.877 8.249 -0.372 19773 1619 1 7 . 1 1 88 88 ALA N N 88 122.593 122.593 121.693 0.900 19773 1620 1 7 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.979 0.073 19773 1621 1 7 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.808 -0.787 19773 1622 1 7 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.385 -0.617 19773 1623 1 7 . 1 1 88 88 ALA H H 88 8.020 8.020 7.569 0.451 19773 1624 1 7 . 1 1 89 89 LEU N N 89 120.028 120.028 118.796 1.232 19773 1625 1 7 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.859 0.193 19773 1626 1 7 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.739 -1.237 19773 1627 1 7 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.209 0.329 19773 1628 1 7 . 1 1 89 89 LEU H H 89 8.021 8.021 7.892 0.129 19773 1629 1 7 . 1 1 90 90 LYS N N 90 120.483 120.483 118.554 1.929 19773 1630 1 7 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.361 -0.213 19773 1631 1 7 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.448 -0.891 19773 1632 1 7 . 1 1 90 90 LYS CB C 90 32.215 32.215 31.772 0.443 19773 1633 1 7 . 1 1 90 90 LYS H H 90 7.896 7.896 8.374 -0.478 19773 1634 1 7 . 1 1 91 91 MET N N 91 119.156 119.156 120.997 -1.841 19773 1635 1 7 . 1 1 91 91 MET HA H 91 4.291 4.291 4.063 0.228 19773 1636 1 7 . 1 1 91 91 MET CA C 91 56.541 56.541 59.221 -2.680 19773 1637 1 7 . 1 1 91 91 MET H H 91 8.320 8.320 7.827 0.493 19773 1638 1 7 . 1 1 92 92 SER N N 92 116.382 116.382 115.936 0.446 19773 1639 1 7 . 1 1 92 92 SER HA H 92 4.291 4.291 4.160 0.131 19773 1640 1 7 . 1 1 92 92 SER CA C 92 59.584 59.584 61.955 -2.371 19773 1641 1 7 . 1 1 92 92 SER CB C 92 63.074 63.074 62.825 0.249 19773 1642 1 7 . 1 1 92 92 SER H H 92 8.297 8.297 7.885 0.412 19773 1643 1 7 . 1 1 93 93 GLU N N 93 122.202 122.202 121.332 0.870 19773 1644 1 7 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.012 0.123 19773 1645 1 7 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.130 -1.622 19773 1646 1 7 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.376 0.237 19773 1647 1 7 . 1 1 93 93 GLU H H 93 8.313 8.313 7.676 0.637 19773 1648 1 7 . 1 1 94 94 GLN N N 94 119.546 119.546 117.408 2.138 19773 1649 1 7 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.126 0.009 19773 1650 1 7 . 1 1 94 94 GLN CA C 94 56.877 56.877 57.993 -1.117 19773 1651 1 7 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.599 0.227 19773 1652 1 7 . 1 1 94 94 GLN H H 94 8.177 8.177 7.661 0.516 19773 1653 1 7 . 1 1 95 95 GLU N N 95 121.030 121.030 116.649 4.381 19773 1654 1 7 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.270 -0.204 19773 1655 1 7 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.591 0.570 19773 1656 1 7 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.152 -0.246 19773 1657 1 7 . 1 1 95 95 GLU H H 95 8.281 8.281 7.798 0.483 19773 1658 1 7 . 1 1 96 96 ALA N N 96 123.530 123.530 118.515 5.015 19773 1659 1 7 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.962 0.221 19773 1660 1 7 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.761 -1.002 19773 1661 1 7 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.947 0.458 19773 1662 1 7 . 1 1 96 96 ALA H H 96 8.242 8.242 8.238 0.004 19773 1663 1 7 . 1 1 97 97 ARG N N 97 119.624 119.624 115.624 4.000 19773 1664 1 7 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.521 -0.312 19773 1665 1 7 . 1 1 97 97 ARG CA C 97 56.469 56.469 55.143 1.326 19773 1666 1 7 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.949 -1.308 19773 1667 1 7 . 1 1 97 97 ARG H H 97 8.131 8.131 7.791 0.340 19773 1668 1 7 . 1 1 98 98 GLU N N 98 121.837 121.837 118.690 3.147 19773 1669 1 7 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.118 0.059 19773 1670 1 7 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.741 -0.210 19773 1671 1 7 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.139 -0.474 19773 1672 1 7 . 1 1 98 98 GLU H H 98 8.374 8.374 8.487 -0.113 19773 1673 1 7 . 1 1 99 99 VAL N N 99 121.265 121.265 123.439 -2.174 19773 1674 1 7 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.002 -0.028 19773 1675 1 7 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.428 0.075 19773 1676 1 7 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.511 -0.054 19773 1677 1 7 . 1 1 99 99 VAL H H 99 8.261 8.261 8.381 -0.120 19773 1678 1 7 . 1 1 100 100 ASN N N 100 122.280 122.280 121.833 0.447 19773 1679 1 7 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.684 0.034 19773 1680 1 7 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.458 -0.341 19773 1681 1 7 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.124 -0.356 19773 1682 1 7 . 1 1 100 100 ASN H H 100 8.639 8.639 8.506 0.133 19773 1683 1 7 . 1 1 101 101 SER N N 101 117.046 117.046 120.285 -3.239 19773 1684 1 7 . 1 1 101 101 SER HA H 101 4.349 4.349 4.116 0.233 19773 1685 1 7 . 1 1 101 101 SER CA C 101 58.970 58.970 61.850 -2.880 19773 1686 1 7 . 1 1 101 101 SER CB C 101 63.397 63.397 63.199 0.198 19773 1687 1 7 . 1 1 101 101 SER H H 101 8.542 8.542 8.769 -0.227 19773 1688 1 7 . 1 1 102 102 GLN N N 102 122.514 122.514 119.186 3.328 19773 1689 1 7 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.181 0.022 19773 1690 1 7 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.419 -2.249 19773 1691 1 7 . 1 1 102 102 GLN CB C 102 28.389 28.389 27.733 0.656 19773 1692 1 7 . 1 1 102 102 GLN H H 102 8.594 8.594 8.462 0.132 19773 1693 1 7 . 1 1 103 103 GLU N N 103 120.874 120.874 120.485 0.389 19773 1694 1 7 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.034 0.059 19773 1695 1 7 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.268 -1.275 19773 1696 1 7 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.974 0.514 19773 1697 1 7 . 1 1 103 103 GLU H H 103 8.496 8.496 8.319 0.177 19773 1698 1 7 . 1 1 104 104 GLU N N 104 120.874 120.874 119.037 1.837 19773 1699 1 7 . 1 1 104 104 GLU HA H 104 4.122 4.122 3.980 0.142 19773 1700 1 7 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.632 -1.785 19773 1701 1 7 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.635 0.008 19773 1702 1 7 . 1 1 104 104 GLU H H 104 8.379 8.379 7.847 0.532 19773 1703 1 7 . 1 1 105 105 GLU N N 105 121.421 121.421 119.496 1.925 19773 1704 1 7 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.018 0.103 19773 1705 1 7 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.362 -1.280 19773 1706 1 7 . 1 1 105 105 GLU H H 105 8.437 8.437 8.405 0.032 19773 1707 1 7 . 1 1 106 106 GLU N N 106 120.640 120.640 120.113 0.527 19773 1708 1 7 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.987 0.017 19773 1709 1 7 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.535 -0.860 19773 1710 1 7 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.692 -0.371 19773 1711 1 7 . 1 1 106 106 GLU H H 106 8.463 8.463 8.408 0.055 19773 1712 1 7 . 1 1 107 107 GLU N N 107 120.249 120.249 120.016 0.233 19773 1713 1 7 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.007 0.038 19773 1714 1 7 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.289 -0.287 19773 1715 1 7 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.173 -0.137 19773 1716 1 7 . 1 1 107 107 GLU H H 107 8.385 8.385 7.836 0.549 19773 1717 1 7 . 1 1 108 108 GLU N N 108 120.902 120.902 119.252 1.650 19773 1718 1 7 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.089 0.039 19773 1719 1 7 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.028 -0.626 19773 1720 1 7 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.409 -0.589 19773 1721 1 7 . 1 1 108 108 GLU H H 108 8.125 8.125 7.750 0.375 19773 1722 1 7 . 1 1 109 109 LEU N N 109 120.327 120.327 120.907 -0.580 19773 1723 1 7 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.032 -0.038 19773 1724 1 7 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.753 -0.293 19773 1725 1 7 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.753 -0.268 19773 1726 1 7 . 1 1 109 109 LEU H H 109 8.085 8.085 8.314 -0.229 19773 1727 1 7 . 1 1 110 110 LEU N N 110 121.108 121.108 120.136 0.972 19773 1728 1 7 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.986 0.169 19773 1729 1 7 . 1 1 110 110 LEU CA C 110 57.197 57.197 57.993 -0.796 19773 1730 1 7 . 1 1 110 110 LEU CB C 110 41.472 41.472 40.862 0.610 19773 1731 1 7 . 1 1 110 110 LEU H H 110 7.948 7.948 8.302 -0.354 19773 1732 1 7 . 1 1 111 111 ARG N N 111 119.390 119.390 119.209 0.181 19773 1733 1 7 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.923 -0.021 19773 1734 1 7 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.124 -0.111 19773 1735 1 7 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.894 0.071 19773 1736 1 7 . 1 1 111 111 ARG H H 111 8.111 8.111 8.071 0.040 19773 1737 1 7 . 1 1 112 112 LYS N N 112 120.418 120.418 119.511 0.907 19773 1738 1 7 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.006 0.053 19773 1739 1 7 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.655 -0.940 19773 1740 1 7 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.370 0.073 19773 1741 1 7 . 1 1 112 112 LYS H H 112 8.273 8.273 7.878 0.395 19773 1742 1 7 . 1 1 113 113 ALA N N 113 122.758 122.758 121.959 0.799 19773 1743 1 7 . 1 1 113 113 ALA HA H 113 4.169 4.169 3.971 0.198 19773 1744 1 7 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.327 -1.034 19773 1745 1 7 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.333 -0.280 19773 1746 1 7 . 1 1 113 113 ALA H H 113 7.978 7.978 7.796 0.182 19773 1747 1 7 . 1 1 114 114 ILE N N 114 120.171 120.171 119.210 0.961 19773 1748 1 7 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.879 -0.113 19773 1749 1 7 . 1 1 114 114 ILE CA C 114 63.420 63.420 62.432 0.988 19773 1750 1 7 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.356 1.722 19773 1751 1 7 . 1 1 114 114 ILE H H 114 8.229 8.229 7.696 0.533 19773 1752 1 7 . 1 1 115 115 ALA N N 115 123.999 123.999 122.592 1.407 19773 1753 1 7 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.974 0.133 19773 1754 1 7 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.602 -1.281 19773 1755 1 7 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.122 -0.067 19773 1756 1 7 . 1 1 115 115 ALA H H 115 8.072 8.072 8.285 -0.213 19773 1757 1 7 . 1 1 116 116 GLU N N 116 118.140 118.140 118.129 0.011 19773 1758 1 7 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.015 0.105 19773 1759 1 7 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.962 -1.186 19773 1760 1 7 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.396 -0.085 19773 1761 1 7 . 1 1 116 116 GLU H H 116 8.313 8.313 8.403 -0.090 19773 1762 1 7 . 1 1 117 117 SER N N 117 115.640 115.640 115.117 0.523 19773 1763 1 7 . 1 1 117 117 SER HA H 117 4.291 4.291 4.271 0.020 19773 1764 1 7 . 1 1 117 117 SER CA C 117 59.647 59.647 60.950 -1.302 19773 1765 1 7 . 1 1 117 117 SER CB C 117 63.022 63.022 62.917 0.105 19773 1766 1 7 . 1 1 117 117 SER H H 117 8.040 8.040 7.927 0.113 19773 1767 1 7 . 1 1 118 118 LEU N N 118 122.593 122.593 120.346 2.247 19773 1768 1 7 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.106 0.118 19773 1769 1 7 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.077 -1.202 19773 1770 1 7 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.098 -0.304 19773 1771 1 7 . 1 1 118 118 LEU H H 118 7.968 7.968 7.720 0.248 19773 1772 1 7 . 1 1 119 119 ASN N N 119 117.828 117.828 114.474 3.354 19773 1773 1 7 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.745 -0.111 19773 1774 1 7 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.568 -0.035 19773 1775 1 7 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.191 -0.647 19773 1776 1 7 . 1 1 119 119 ASN H H 119 8.183 8.183 7.823 0.360 19773 1777 1 7 . 1 1 120 120 SER N N 120 115.484 115.484 116.570 -1.086 19773 1778 1 7 . 1 1 120 120 SER HA H 120 4.332 4.332 4.454 -0.122 19773 1779 1 7 . 1 1 120 120 SER CA C 120 58.417 58.417 58.889 -0.472 19773 1780 1 7 . 1 1 120 120 SER CB C 120 63.386 63.386 64.306 -0.921 19773 1781 1 7 . 1 1 120 120 SER H H 120 8.183 8.183 7.703 0.480 19773 1782 1 7 . 1 1 121 121 CYS N N 121 123.139 123.139 122.807 0.332 19773 1783 1 7 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.337 -2.439 19773 1784 1 7 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.485 2.079 19773 1785 1 7 . 1 1 121 121 CYS H H 121 8.450 8.450 8.289 0.161 19773 1786 1 7 . 1 1 124 124 SER N N 124 116.031 116.031 117.498 -1.467 19773 1787 1 7 . 1 1 124 124 SER HA H 124 4.311 4.311 4.424 -0.113 19773 1788 1 7 . 1 1 124 124 SER CA C 124 58.360 58.360 58.408 -0.048 19773 1789 1 7 . 1 1 124 124 SER CB C 124 63.486 63.486 63.821 -0.335 19773 1790 1 7 . 1 1 124 124 SER H H 124 8.587 8.587 8.277 0.310 19773 1791 1 7 . 1 1 125 125 ASP N N 125 122.514 122.514 122.911 -0.397 19773 1792 1 7 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.527 0.028 19773 1793 1 7 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.312 -0.296 19773 1794 1 7 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.151 -1.287 19773 1795 1 7 . 1 1 125 125 ASP H H 125 8.424 8.424 8.387 0.037 19773 1796 1 7 . 1 1 126 126 ALA N N 126 124.858 124.858 128.626 -3.768 19773 1797 1 7 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.098 0.125 19773 1798 1 7 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.115 -1.360 19773 1799 1 7 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.098 -0.403 19773 1800 1 7 . 1 1 126 126 ALA H H 126 8.398 8.398 8.608 -0.210 19773 1801 1 7 . 1 1 127 127 SER N N 127 114.781 114.781 113.943 0.838 19773 1802 1 7 . 1 1 127 127 SER HA H 127 4.296 4.296 4.360 -0.064 19773 1803 1 7 . 1 1 127 127 SER CA C 127 58.476 58.476 58.707 -0.231 19773 1804 1 7 . 1 1 127 127 SER CB C 127 63.408 63.408 63.801 -0.393 19773 1805 1 7 . 1 1 127 127 SER H H 127 8.398 8.398 8.447 -0.049 19773 1806 1 7 . 1 1 128 128 ALA N N 128 125.639 125.639 120.590 5.049 19773 1807 1 7 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.096 0.190 19773 1808 1 7 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.163 -0.751 19773 1809 1 7 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.451 1.549 19773 1810 1 7 . 1 1 128 128 ALA H H 128 8.261 8.261 7.283 0.978 19773 1811 1 7 . 1 1 129 129 THR N N 129 113.687 113.687 115.112 -1.425 19773 1812 1 7 . 1 1 129 129 THR HA H 129 4.223 4.223 4.312 -0.089 19773 1813 1 7 . 1 1 129 129 THR CA C 129 61.793 61.793 62.448 -0.655 19773 1814 1 7 . 1 1 129 129 THR CB C 129 69.378 69.378 69.538 -0.160 19773 1815 1 7 . 1 1 129 129 THR H H 129 8.196 8.196 7.618 0.578 19773 1816 1 7 . 1 1 130 130 ARG N N 130 124.467 124.467 126.646 -2.179 19773 1817 1 7 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.311 0.062 19773 1818 1 7 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.452 -0.884 19773 1819 1 7 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.655 -0.008 19773 1820 1 7 . 1 1 130 130 ARG H H 130 8.450 8.450 8.582 -0.132 19773 1821 1 8 . 1 1 -2 -2 LEU N N -2 122.671 122.671 125.110 -2.439 19773 1822 1 8 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.523 -0.245 19773 1823 1 8 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 54.947 0.338 19773 1824 1 8 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.475 -1.637 19773 1825 1 8 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.195 0.503 19773 1826 1 8 . 1 1 -1 -1 GLY N N -1 109.817 109.817 113.148 -3.331 19773 1827 1 8 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.250 0.848 19773 1828 1 8 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.227 0.308 19773 1829 1 8 . 1 1 75 75 LYS N N 75 122.983 122.983 119.392 3.591 19773 1830 1 8 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.354 -0.138 19773 1831 1 8 . 1 1 75 75 LYS CA C 75 56.371 56.371 55.641 0.730 19773 1832 1 8 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.934 -0.446 19773 1833 1 8 . 1 1 75 75 LYS H H 75 8.411 8.411 7.896 0.515 19773 1834 1 8 . 1 1 76 76 ILE N N 76 122.749 122.749 121.788 0.961 19773 1835 1 8 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.023 0.036 19773 1836 1 8 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.218 -0.037 19773 1837 1 8 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.146 0.225 19773 1838 1 8 . 1 1 76 76 ILE H H 76 8.242 8.242 7.383 0.859 19773 1839 1 8 . 1 1 77 77 ALA N N 77 127.358 127.358 130.848 -3.490 19773 1840 1 8 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.314 -0.131 19773 1841 1 8 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.665 0.944 19773 1842 1 8 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.410 -0.598 19773 1843 1 8 . 1 1 77 77 ALA H H 77 8.463 8.463 8.173 0.290 19773 1844 1 8 . 1 1 78 78 GLN N N 78 119.077 119.077 120.626 -1.549 19773 1845 1 8 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.210 0.004 19773 1846 1 8 . 1 1 78 78 GLN CA C 78 55.596 55.596 56.099 -0.503 19773 1847 1 8 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.181 -0.165 19773 1848 1 8 . 1 1 78 78 GLN H H 78 8.359 8.359 8.379 -0.020 19773 1849 1 8 . 1 1 79 79 MET N N 79 121.781 121.781 123.226 -1.445 19773 1850 1 8 . 1 1 79 79 MET HA H 79 4.450 4.450 4.575 -0.125 19773 1851 1 8 . 1 1 79 79 MET CA C 79 55.906 55.906 55.360 0.546 19773 1852 1 8 . 1 1 79 79 MET CB C 79 34.019 34.019 33.196 0.823 19773 1853 1 8 . 1 1 79 79 MET H H 79 8.360 8.360 8.267 0.093 19773 1854 1 8 . 1 1 83 83 GLU N N 83 120.249 120.249 121.342 -1.093 19773 1855 1 8 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.033 0.023 19773 1856 1 8 . 1 1 83 83 GLU CA C 83 58.801 58.801 59.138 -0.337 19773 1857 1 8 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.837 -0.522 19773 1858 1 8 . 1 1 83 83 GLU H H 83 8.776 8.776 8.617 0.159 19773 1859 1 8 . 1 1 84 84 GLN N N 84 119.958 119.958 118.766 1.192 19773 1860 1 8 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.080 -0.095 19773 1861 1 8 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.535 -0.627 19773 1862 1 8 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.428 -0.038 19773 1863 1 8 . 1 1 84 84 GLN H H 84 8.037 8.037 7.861 0.176 19773 1864 1 8 . 1 1 85 85 PHE N N 85 121.733 121.733 121.292 0.441 19773 1865 1 8 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.210 0.095 19773 1866 1 8 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.057 -0.801 19773 1867 1 8 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.041 -0.325 19773 1868 1 8 . 1 1 85 85 PHE H H 85 8.652 8.652 8.829 -0.177 19773 1869 1 8 . 1 1 86 86 ALA N N 86 121.811 121.811 122.135 -0.324 19773 1870 1 8 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.881 0.171 19773 1871 1 8 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.065 -0.750 19773 1872 1 8 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.143 -0.069 19773 1873 1 8 . 1 1 86 86 ALA H H 86 8.209 8.209 8.261 -0.052 19773 1874 1 8 . 1 1 87 87 LEU N N 87 119.780 119.780 119.011 0.769 19773 1875 1 8 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.872 0.265 19773 1876 1 8 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.560 -0.735 19773 1877 1 8 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.593 0.012 19773 1878 1 8 . 1 1 87 87 LEU H H 87 7.877 7.877 8.009 -0.132 19773 1879 1 8 . 1 1 88 88 ALA N N 88 122.593 122.593 122.211 0.382 19773 1880 1 8 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.978 0.074 19773 1881 1 8 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.809 -0.788 19773 1882 1 8 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.270 -0.502 19773 1883 1 8 . 1 1 88 88 ALA H H 88 8.020 8.020 7.970 0.050 19773 1884 1 8 . 1 1 89 89 LEU N N 89 120.028 120.028 118.496 1.532 19773 1885 1 8 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.822 0.230 19773 1886 1 8 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.202 -0.700 19773 1887 1 8 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.391 0.147 19773 1888 1 8 . 1 1 89 89 LEU H H 89 8.021 8.021 7.537 0.484 19773 1889 1 8 . 1 1 90 90 LYS N N 90 120.483 120.483 119.553 0.930 19773 1890 1 8 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.962 0.186 19773 1891 1 8 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.530 -1.973 19773 1892 1 8 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.380 -0.165 19773 1893 1 8 . 1 1 90 90 LYS H H 90 7.896 7.896 7.679 0.217 19773 1894 1 8 . 1 1 91 91 MET N N 91 119.156 119.156 118.408 0.748 19773 1895 1 8 . 1 1 91 91 MET HA H 91 4.291 4.291 4.056 0.235 19773 1896 1 8 . 1 1 91 91 MET CA C 91 56.541 56.541 59.091 -2.550 19773 1897 1 8 . 1 1 91 91 MET H H 91 8.320 8.320 8.218 0.102 19773 1898 1 8 . 1 1 92 92 SER N N 92 116.382 116.382 114.816 1.566 19773 1899 1 8 . 1 1 92 92 SER HA H 92 4.291 4.291 4.108 0.183 19773 1900 1 8 . 1 1 92 92 SER CA C 92 59.584 59.584 61.853 -2.269 19773 1901 1 8 . 1 1 92 92 SER CB C 92 63.074 63.074 62.551 0.523 19773 1902 1 8 . 1 1 92 92 SER H H 92 8.297 8.297 7.893 0.404 19773 1903 1 8 . 1 1 93 93 GLU N N 93 122.202 122.202 120.861 1.341 19773 1904 1 8 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.088 0.047 19773 1905 1 8 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.546 -1.038 19773 1906 1 8 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.121 0.492 19773 1907 1 8 . 1 1 93 93 GLU H H 93 8.313 8.313 7.582 0.731 19773 1908 1 8 . 1 1 94 94 GLN N N 94 119.546 119.546 117.692 1.854 19773 1909 1 8 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.164 -0.029 19773 1910 1 8 . 1 1 94 94 GLN CA C 94 56.877 56.877 57.729 -0.852 19773 1911 1 8 . 1 1 94 94 GLN CB C 94 28.826 28.826 27.957 0.869 19773 1912 1 8 . 1 1 94 94 GLN H H 94 8.177 8.177 7.810 0.367 19773 1913 1 8 . 1 1 95 95 GLU N N 95 121.030 121.030 116.741 4.289 19773 1914 1 8 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.212 -0.146 19773 1915 1 8 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.514 0.647 19773 1916 1 8 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.565 0.341 19773 1917 1 8 . 1 1 95 95 GLU H H 95 8.281 8.281 7.497 0.784 19773 1918 1 8 . 1 1 96 96 ALA N N 96 123.530 123.530 119.746 3.784 19773 1919 1 8 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.091 0.092 19773 1920 1 8 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.822 -0.063 19773 1921 1 8 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.075 1.330 19773 1922 1 8 . 1 1 96 96 ALA H H 96 8.242 8.242 7.681 0.561 19773 1923 1 8 . 1 1 97 97 ARG N N 97 119.624 119.624 118.911 0.713 19773 1924 1 8 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.080 0.129 19773 1925 1 8 . 1 1 97 97 ARG CA C 97 56.469 56.469 56.463 0.006 19773 1926 1 8 . 1 1 97 97 ARG CB C 97 30.641 30.641 28.634 2.007 19773 1927 1 8 . 1 1 97 97 ARG H H 97 8.131 8.131 8.232 -0.101 19773 1928 1 8 . 1 1 98 98 GLU N N 98 121.837 121.837 119.393 2.444 19773 1929 1 8 . 1 1 98 98 GLU HA H 98 4.177 4.177 3.980 0.197 19773 1930 1 8 . 1 1 98 98 GLU CA C 98 56.531 56.531 57.370 -0.839 19773 1931 1 8 . 1 1 98 98 GLU CB C 98 29.665 29.665 28.979 0.686 19773 1932 1 8 . 1 1 98 98 GLU H H 98 8.374 8.374 8.506 -0.132 19773 1933 1 8 . 1 1 99 99 VAL N N 99 121.265 121.265 116.040 5.225 19773 1934 1 8 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.046 -0.072 19773 1935 1 8 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.279 1.224 19773 1936 1 8 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.375 0.082 19773 1937 1 8 . 1 1 99 99 VAL H H 99 8.261 8.261 7.554 0.707 19773 1938 1 8 . 1 1 100 100 ASN N N 100 122.280 122.280 123.539 -1.259 19773 1939 1 8 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.743 -0.025 19773 1940 1 8 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.237 -0.120 19773 1941 1 8 . 1 1 100 100 ASN CB C 100 38.768 38.768 38.954 -0.186 19773 1942 1 8 . 1 1 100 100 ASN H H 100 8.639 8.639 8.743 -0.104 19773 1943 1 8 . 1 1 101 101 SER N N 101 117.046 117.046 120.400 -3.354 19773 1944 1 8 . 1 1 101 101 SER HA H 101 4.349 4.349 4.325 0.024 19773 1945 1 8 . 1 1 101 101 SER CA C 101 58.970 58.970 61.871 -2.901 19773 1946 1 8 . 1 1 101 101 SER CB C 101 63.397 63.397 63.197 0.200 19773 1947 1 8 . 1 1 101 101 SER H H 101 8.542 8.542 8.959 -0.417 19773 1948 1 8 . 1 1 102 102 GLN N N 102 122.514 122.514 119.262 3.252 19773 1949 1 8 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.135 0.068 19773 1950 1 8 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.198 -2.028 19773 1951 1 8 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.364 0.025 19773 1952 1 8 . 1 1 102 102 GLN H H 102 8.594 8.594 8.578 0.016 19773 1953 1 8 . 1 1 103 103 GLU N N 103 120.874 120.874 119.927 0.947 19773 1954 1 8 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.018 0.075 19773 1955 1 8 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.447 -1.454 19773 1956 1 8 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.256 0.233 19773 1957 1 8 . 1 1 103 103 GLU H H 103 8.496 8.496 8.543 -0.047 19773 1958 1 8 . 1 1 104 104 GLU N N 104 120.874 120.874 119.277 1.597 19773 1959 1 8 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.016 0.106 19773 1960 1 8 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.171 -1.324 19773 1961 1 8 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.592 0.051 19773 1962 1 8 . 1 1 104 104 GLU H H 104 8.379 8.379 7.889 0.490 19773 1963 1 8 . 1 1 105 105 GLU N N 105 121.421 121.421 119.905 1.516 19773 1964 1 8 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.036 0.085 19773 1965 1 8 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.277 -1.195 19773 1966 1 8 . 1 1 105 105 GLU H H 105 8.437 8.437 7.822 0.615 19773 1967 1 8 . 1 1 106 106 GLU N N 106 120.640 120.640 118.539 2.101 19773 1968 1 8 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.017 -0.013 19773 1969 1 8 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.282 -0.607 19773 1970 1 8 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.313 0.008 19773 1971 1 8 . 1 1 106 106 GLU H H 106 8.463 8.463 7.795 0.668 19773 1972 1 8 . 1 1 107 107 GLU N N 107 120.249 120.249 120.297 -0.048 19773 1973 1 8 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.988 0.057 19773 1974 1 8 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.634 -0.632 19773 1975 1 8 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.599 -0.563 19773 1976 1 8 . 1 1 107 107 GLU H H 107 8.385 8.385 8.192 0.193 19773 1977 1 8 . 1 1 108 108 GLU N N 108 120.902 120.902 118.742 2.160 19773 1978 1 8 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.097 0.031 19773 1979 1 8 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.129 -0.727 19773 1980 1 8 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.368 -0.548 19773 1981 1 8 . 1 1 108 108 GLU H H 108 8.125 8.125 8.137 -0.012 19773 1982 1 8 . 1 1 109 109 LEU N N 109 120.327 120.327 121.275 -0.948 19773 1983 1 8 . 1 1 109 109 LEU HA H 109 3.994 3.994 3.950 0.044 19773 1984 1 8 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.892 -0.432 19773 1985 1 8 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.766 -0.281 19773 1986 1 8 . 1 1 109 109 LEU H H 109 8.085 8.085 7.921 0.164 19773 1987 1 8 . 1 1 110 110 LEU N N 110 121.108 121.108 118.959 2.149 19773 1988 1 8 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.904 0.251 19773 1989 1 8 . 1 1 110 110 LEU CA C 110 57.197 57.197 57.968 -0.771 19773 1990 1 8 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.389 0.083 19773 1991 1 8 . 1 1 110 110 LEU H H 110 7.948 7.948 8.275 -0.327 19773 1992 1 8 . 1 1 111 111 ARG N N 111 119.390 119.390 119.847 -0.457 19773 1993 1 8 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.920 -0.018 19773 1994 1 8 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.910 -0.897 19773 1995 1 8 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.027 -0.062 19773 1996 1 8 . 1 1 111 111 ARG H H 111 8.111 8.111 8.416 -0.305 19773 1997 1 8 . 1 1 112 112 LYS N N 112 120.418 120.418 119.020 1.398 19773 1998 1 8 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.013 0.046 19773 1999 1 8 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.325 -0.610 19773 2000 1 8 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.281 0.162 19773 2001 1 8 . 1 1 112 112 LYS H H 112 8.273 8.273 7.889 0.384 19773 2002 1 8 . 1 1 113 113 ALA N N 113 122.758 122.758 123.208 -0.450 19773 2003 1 8 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.121 0.048 19773 2004 1 8 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.954 -0.661 19773 2005 1 8 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.437 -0.384 19773 2006 1 8 . 1 1 113 113 ALA H H 113 7.978 7.978 7.721 0.257 19773 2007 1 8 . 1 1 114 114 ILE N N 114 120.171 120.171 119.613 0.558 19773 2008 1 8 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.712 0.054 19773 2009 1 8 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.147 -1.728 19773 2010 1 8 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.852 0.226 19773 2011 1 8 . 1 1 114 114 ILE H H 114 8.229 8.229 8.163 0.066 19773 2012 1 8 . 1 1 115 115 ALA N N 115 123.999 123.999 121.947 2.052 19773 2013 1 8 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.914 0.193 19773 2014 1 8 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.449 -1.128 19773 2015 1 8 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.964 0.090 19773 2016 1 8 . 1 1 115 115 ALA H H 115 8.072 8.072 7.928 0.144 19773 2017 1 8 . 1 1 116 116 GLU N N 116 118.140 118.140 118.546 -0.406 19773 2018 1 8 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.989 0.131 19773 2019 1 8 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.374 -1.598 19773 2020 1 8 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.752 -0.441 19773 2021 1 8 . 1 1 116 116 GLU H H 116 8.313 8.313 8.375 -0.062 19773 2022 1 8 . 1 1 117 117 SER N N 117 115.640 115.640 115.720 -0.080 19773 2023 1 8 . 1 1 117 117 SER HA H 117 4.291 4.291 4.193 0.098 19773 2024 1 8 . 1 1 117 117 SER CA C 117 59.647 59.647 61.325 -1.678 19773 2025 1 8 . 1 1 117 117 SER CB C 117 63.022 63.022 63.120 -0.098 19773 2026 1 8 . 1 1 117 117 SER H H 117 8.040 8.040 8.133 -0.093 19773 2027 1 8 . 1 1 118 118 LEU N N 118 122.593 122.593 119.695 2.898 19773 2028 1 8 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.127 0.097 19773 2029 1 8 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.793 -0.918 19773 2030 1 8 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.070 -0.276 19773 2031 1 8 . 1 1 118 118 LEU H H 118 7.968 7.968 7.799 0.169 19773 2032 1 8 . 1 1 119 119 ASN N N 119 117.828 117.828 114.628 3.200 19773 2033 1 8 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.725 -0.091 19773 2034 1 8 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.689 -0.156 19773 2035 1 8 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.869 -0.324 19773 2036 1 8 . 1 1 119 119 ASN H H 119 8.183 8.183 7.773 0.410 19773 2037 1 8 . 1 1 120 120 SER N N 120 115.484 115.484 116.254 -0.770 19773 2038 1 8 . 1 1 120 120 SER HA H 120 4.332 4.332 4.465 -0.133 19773 2039 1 8 . 1 1 120 120 SER CA C 120 58.417 58.417 58.428 -0.012 19773 2040 1 8 . 1 1 120 120 SER CB C 120 63.386 63.386 64.239 -0.853 19773 2041 1 8 . 1 1 120 120 SER H H 120 8.183 8.183 7.631 0.552 19773 2042 1 8 . 1 1 121 121 CYS N N 121 123.139 123.139 124.494 -1.355 19773 2043 1 8 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.564 -2.666 19773 2044 1 8 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.935 1.629 19773 2045 1 8 . 1 1 121 121 CYS H H 121 8.450 8.450 8.268 0.182 19773 2046 1 8 . 1 1 124 124 SER N N 124 116.031 116.031 119.023 -2.992 19773 2047 1 8 . 1 1 124 124 SER HA H 124 4.311 4.311 4.384 -0.073 19773 2048 1 8 . 1 1 124 124 SER CA C 124 58.360 58.360 58.058 0.302 19773 2049 1 8 . 1 1 124 124 SER CB C 124 63.486 63.486 63.983 -0.497 19773 2050 1 8 . 1 1 124 124 SER H H 124 8.587 8.587 8.323 0.264 19773 2051 1 8 . 1 1 125 125 ASP N N 125 122.514 122.514 120.136 2.378 19773 2052 1 8 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.629 -0.074 19773 2053 1 8 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.954 0.062 19773 2054 1 8 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.203 -0.339 19773 2055 1 8 . 1 1 125 125 ASP H H 125 8.424 8.424 8.336 0.088 19773 2056 1 8 . 1 1 126 126 ALA N N 126 124.858 124.858 127.650 -2.792 19773 2057 1 8 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.118 0.105 19773 2058 1 8 . 1 1 126 126 ALA CA C 126 52.755 52.755 53.868 -1.113 19773 2059 1 8 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.855 -0.160 19773 2060 1 8 . 1 1 126 126 ALA H H 126 8.398 8.398 8.565 -0.167 19773 2061 1 8 . 1 1 127 127 SER N N 127 114.781 114.781 113.918 0.863 19773 2062 1 8 . 1 1 127 127 SER HA H 127 4.296 4.296 4.352 -0.056 19773 2063 1 8 . 1 1 127 127 SER CA C 127 58.476 58.476 58.478 -0.002 19773 2064 1 8 . 1 1 127 127 SER CB C 127 63.408 63.408 63.376 0.032 19773 2065 1 8 . 1 1 127 127 SER H H 127 8.398 8.398 8.040 0.358 19773 2066 1 8 . 1 1 128 128 ALA N N 128 125.639 125.639 120.070 5.569 19773 2067 1 8 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.314 -0.028 19773 2068 1 8 . 1 1 128 128 ALA CA C 128 52.412 52.412 52.630 -0.218 19773 2069 1 8 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.077 1.923 19773 2070 1 8 . 1 1 128 128 ALA H H 128 8.261 8.261 7.408 0.853 19773 2071 1 8 . 1 1 129 129 THR N N 129 113.687 113.687 113.811 -0.124 19773 2072 1 8 . 1 1 129 129 THR HA H 129 4.223 4.223 4.219 0.004 19773 2073 1 8 . 1 1 129 129 THR CA C 129 61.793 61.793 62.709 -0.916 19773 2074 1 8 . 1 1 129 129 THR CB C 129 69.378 69.378 69.299 0.079 19773 2075 1 8 . 1 1 129 129 THR H H 129 8.196 8.196 7.695 0.501 19773 2076 1 8 . 1 1 130 130 ARG N N 130 124.467 124.467 126.055 -1.588 19773 2077 1 8 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.293 0.080 19773 2078 1 8 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.539 -0.971 19773 2079 1 8 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.470 0.177 19773 2080 1 8 . 1 1 130 130 ARG H H 130 8.450 8.450 8.531 -0.081 19773 2081 1 9 . 1 1 -2 -2 LEU N N -2 122.671 122.671 114.783 7.888 19773 2082 1 9 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.602 -0.324 19773 2083 1 9 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.717 -0.432 19773 2084 1 9 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.049 -1.211 19773 2085 1 9 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.089 0.609 19773 2086 1 9 . 1 1 -1 -1 GLY N N -1 109.817 109.817 106.051 3.766 19773 2087 1 9 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.379 0.719 19773 2088 1 9 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.634 0.901 19773 2089 1 9 . 1 1 75 75 LYS N N 75 122.983 122.983 120.505 2.478 19773 2090 1 9 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.217 -0.001 19773 2091 1 9 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.734 -0.363 19773 2092 1 9 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.411 -0.923 19773 2093 1 9 . 1 1 75 75 LYS H H 75 8.411 8.411 7.791 0.620 19773 2094 1 9 . 1 1 76 76 ILE N N 76 122.749 122.749 122.257 0.492 19773 2095 1 9 . 1 1 76 76 ILE HA H 76 4.059 4.059 3.991 0.068 19773 2096 1 9 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.304 -0.123 19773 2097 1 9 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.192 0.179 19773 2098 1 9 . 1 1 76 76 ILE H H 76 8.242 8.242 7.440 0.802 19773 2099 1 9 . 1 1 77 77 ALA N N 77 127.358 127.358 130.983 -3.625 19773 2100 1 9 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.467 -0.284 19773 2101 1 9 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.789 0.820 19773 2102 1 9 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.679 -0.867 19773 2103 1 9 . 1 1 77 77 ALA H H 77 8.463 8.463 8.371 0.092 19773 2104 1 9 . 1 1 78 78 GLN N N 78 119.077 119.077 121.640 -2.563 19773 2105 1 9 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.430 -0.216 19773 2106 1 9 . 1 1 78 78 GLN CA C 78 55.596 55.596 54.990 0.606 19773 2107 1 9 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.679 -0.663 19773 2108 1 9 . 1 1 78 78 GLN H H 78 8.359 8.359 8.473 -0.114 19773 2109 1 9 . 1 1 79 79 MET N N 79 121.781 121.781 122.577 -0.796 19773 2110 1 9 . 1 1 79 79 MET HA H 79 4.450 4.450 4.751 -0.301 19773 2111 1 9 . 1 1 79 79 MET CA C 79 55.906 55.906 55.461 0.445 19773 2112 1 9 . 1 1 79 79 MET CB C 79 34.019 34.019 33.266 0.753 19773 2113 1 9 . 1 1 79 79 MET H H 79 8.360 8.360 8.361 -0.001 19773 2114 1 9 . 1 1 83 83 GLU N N 83 120.249 120.249 121.497 -1.248 19773 2115 1 9 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.110 -0.054 19773 2116 1 9 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.755 0.046 19773 2117 1 9 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.651 -0.336 19773 2118 1 9 . 1 1 83 83 GLU H H 83 8.776 8.776 8.730 0.046 19773 2119 1 9 . 1 1 84 84 GLN N N 84 119.958 119.958 119.894 0.064 19773 2120 1 9 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.077 -0.092 19773 2121 1 9 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.842 -0.934 19773 2122 1 9 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.674 -0.284 19773 2123 1 9 . 1 1 84 84 GLN H H 84 8.037 8.037 7.781 0.256 19773 2124 1 9 . 1 1 85 85 PHE N N 85 121.733 121.733 120.631 1.102 19773 2125 1 9 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.204 0.101 19773 2126 1 9 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.114 -0.858 19773 2127 1 9 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.910 -0.194 19773 2128 1 9 . 1 1 85 85 PHE H H 85 8.652 8.652 8.313 0.339 19773 2129 1 9 . 1 1 86 86 ALA N N 86 121.811 121.811 121.790 0.021 19773 2130 1 9 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.848 0.204 19773 2131 1 9 . 1 1 86 86 ALA CA C 86 54.315 54.315 54.914 -0.599 19773 2132 1 9 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.113 -0.039 19773 2133 1 9 . 1 1 86 86 ALA H H 86 8.209 8.209 7.886 0.323 19773 2134 1 9 . 1 1 87 87 LEU N N 87 119.780 119.780 120.232 -0.452 19773 2135 1 9 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.946 0.191 19773 2136 1 9 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.430 -0.604 19773 2137 1 9 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.394 0.211 19773 2138 1 9 . 1 1 87 87 LEU H H 87 7.877 7.877 8.171 -0.294 19773 2139 1 9 . 1 1 88 88 ALA N N 88 122.593 122.593 121.622 0.971 19773 2140 1 9 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.934 0.118 19773 2141 1 9 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.051 -1.030 19773 2142 1 9 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.025 -0.257 19773 2143 1 9 . 1 1 88 88 ALA H H 88 8.020 8.020 8.103 -0.083 19773 2144 1 9 . 1 1 89 89 LEU N N 89 120.028 120.028 118.940 1.088 19773 2145 1 9 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.763 0.289 19773 2146 1 9 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.610 -1.108 19773 2147 1 9 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.288 0.250 19773 2148 1 9 . 1 1 89 89 LEU H H 89 8.021 8.021 7.433 0.588 19773 2149 1 9 . 1 1 90 90 LYS N N 90 120.483 120.483 119.816 0.667 19773 2150 1 9 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.930 0.218 19773 2151 1 9 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.444 -1.887 19773 2152 1 9 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.413 -0.198 19773 2153 1 9 . 1 1 90 90 LYS H H 90 7.896 7.896 7.747 0.149 19773 2154 1 9 . 1 1 91 91 MET N N 91 119.156 119.156 118.174 0.982 19773 2155 1 9 . 1 1 91 91 MET HA H 91 4.291 4.291 4.522 -0.231 19773 2156 1 9 . 1 1 91 91 MET CA C 91 56.541 56.541 57.273 -0.732 19773 2157 1 9 . 1 1 91 91 MET H H 91 8.320 8.320 8.186 0.134 19773 2158 1 9 . 1 1 92 92 SER N N 92 116.382 116.382 116.375 0.007 19773 2159 1 9 . 1 1 92 92 SER HA H 92 4.291 4.291 4.118 0.173 19773 2160 1 9 . 1 1 92 92 SER CA C 92 59.584 59.584 62.102 -2.518 19773 2161 1 9 . 1 1 92 92 SER CB C 92 63.074 63.074 62.864 0.210 19773 2162 1 9 . 1 1 92 92 SER H H 92 8.297 8.297 7.955 0.343 19773 2163 1 9 . 1 1 93 93 GLU N N 93 122.202 122.202 120.857 1.345 19773 2164 1 9 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.060 0.075 19773 2165 1 9 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.049 -1.541 19773 2166 1 9 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.272 0.341 19773 2167 1 9 . 1 1 93 93 GLU H H 93 8.313 8.313 7.655 0.658 19773 2168 1 9 . 1 1 94 94 GLN N N 94 119.546 119.546 118.807 0.739 19773 2169 1 9 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.084 0.051 19773 2170 1 9 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.369 -1.492 19773 2171 1 9 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.914 -0.088 19773 2172 1 9 . 1 1 94 94 GLN H H 94 8.177 8.177 7.856 0.321 19773 2173 1 9 . 1 1 95 95 GLU N N 95 121.030 121.030 116.603 4.427 19773 2174 1 9 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.318 -0.252 19773 2175 1 9 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.630 0.531 19773 2176 1 9 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.159 -0.253 19773 2177 1 9 . 1 1 95 95 GLU H H 95 8.281 8.281 8.074 0.207 19773 2178 1 9 . 1 1 96 96 ALA N N 96 123.530 123.530 121.886 1.644 19773 2179 1 9 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.945 0.238 19773 2180 1 9 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.603 -0.844 19773 2181 1 9 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.364 1.041 19773 2182 1 9 . 1 1 96 96 ALA H H 96 8.242 8.242 7.668 0.574 19773 2183 1 9 . 1 1 97 97 ARG N N 97 119.624 119.624 118.285 1.339 19773 2184 1 9 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.970 0.239 19773 2185 1 9 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.746 -1.277 19773 2186 1 9 . 1 1 97 97 ARG CB C 97 30.641 30.641 28.816 1.825 19773 2187 1 9 . 1 1 97 97 ARG H H 97 8.131 8.131 8.385 -0.254 19773 2188 1 9 . 1 1 98 98 GLU N N 98 121.837 121.837 116.585 5.252 19773 2189 1 9 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.356 -0.179 19773 2190 1 9 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.443 0.088 19773 2191 1 9 . 1 1 98 98 GLU CB C 98 29.665 29.665 31.064 -1.399 19773 2192 1 9 . 1 1 98 98 GLU H H 98 8.374 8.374 8.125 0.249 19773 2193 1 9 . 1 1 99 99 VAL N N 99 121.265 121.265 122.108 -0.843 19773 2194 1 9 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.136 -0.162 19773 2195 1 9 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.971 0.532 19773 2196 1 9 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.544 -0.087 19773 2197 1 9 . 1 1 99 99 VAL H H 99 8.261 8.261 8.188 0.073 19773 2198 1 9 . 1 1 100 100 ASN N N 100 122.280 122.280 123.793 -1.513 19773 2199 1 9 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.733 -0.015 19773 2200 1 9 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.551 -0.434 19773 2201 1 9 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.523 -0.755 19773 2202 1 9 . 1 1 100 100 ASN H H 100 8.639 8.639 8.560 0.079 19773 2203 1 9 . 1 1 101 101 SER N N 101 117.046 117.046 121.588 -4.542 19773 2204 1 9 . 1 1 101 101 SER HA H 101 4.349 4.349 4.232 0.117 19773 2205 1 9 . 1 1 101 101 SER CA C 101 58.970 58.970 61.632 -2.662 19773 2206 1 9 . 1 1 101 101 SER CB C 101 63.397 63.397 63.138 0.259 19773 2207 1 9 . 1 1 101 101 SER H H 101 8.542 8.542 9.011 -0.469 19773 2208 1 9 . 1 1 102 102 GLN N N 102 122.514 122.514 119.355 3.159 19773 2209 1 9 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.179 0.024 19773 2210 1 9 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.559 -1.389 19773 2211 1 9 . 1 1 102 102 GLN CB C 102 28.389 28.389 27.655 0.734 19773 2212 1 9 . 1 1 102 102 GLN H H 102 8.594 8.594 8.623 -0.029 19773 2213 1 9 . 1 1 103 103 GLU N N 103 120.874 120.874 121.831 -0.957 19773 2214 1 9 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.096 -0.003 19773 2215 1 9 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.002 -1.009 19773 2216 1 9 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.083 0.406 19773 2217 1 9 . 1 1 103 103 GLU H H 103 8.496 8.496 7.705 0.791 19773 2218 1 9 . 1 1 104 104 GLU N N 104 120.874 120.874 119.702 1.172 19773 2219 1 9 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.017 0.105 19773 2220 1 9 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.151 -1.304 19773 2221 1 9 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.606 0.037 19773 2222 1 9 . 1 1 104 104 GLU H H 104 8.379 8.379 7.838 0.541 19773 2223 1 9 . 1 1 105 105 GLU N N 105 121.421 121.421 119.598 1.823 19773 2224 1 9 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.031 0.090 19773 2225 1 9 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.124 -1.042 19773 2226 1 9 . 1 1 105 105 GLU H H 105 8.437 8.437 7.908 0.529 19773 2227 1 9 . 1 1 106 106 GLU N N 106 120.640 120.640 119.433 1.207 19773 2228 1 9 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.985 0.019 19773 2229 1 9 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.368 -0.693 19773 2230 1 9 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.659 -0.338 19773 2231 1 9 . 1 1 106 106 GLU H H 106 8.463 8.463 7.778 0.685 19773 2232 1 9 . 1 1 107 107 GLU N N 107 120.249 120.249 120.052 0.197 19773 2233 1 9 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.939 0.106 19773 2234 1 9 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.648 -0.646 19773 2235 1 9 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.536 -0.500 19773 2236 1 9 . 1 1 107 107 GLU H H 107 8.385 8.385 7.922 0.463 19773 2237 1 9 . 1 1 108 108 GLU N N 108 120.902 120.902 119.082 1.820 19773 2238 1 9 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.078 0.050 19773 2239 1 9 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.107 -0.705 19773 2240 1 9 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.375 -0.555 19773 2241 1 9 . 1 1 108 108 GLU H H 108 8.125 8.125 7.881 0.244 19773 2242 1 9 . 1 1 109 109 LEU N N 109 120.327 120.327 120.074 0.253 19773 2243 1 9 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.026 -0.032 19773 2244 1 9 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.568 -0.108 19773 2245 1 9 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.724 -0.239 19773 2246 1 9 . 1 1 109 109 LEU H H 109 8.085 8.085 7.886 0.199 19773 2247 1 9 . 1 1 110 110 LEU N N 110 121.108 121.108 120.280 0.828 19773 2248 1 9 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.962 0.193 19773 2249 1 9 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.066 -0.870 19773 2250 1 9 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.545 -0.073 19773 2251 1 9 . 1 1 110 110 LEU H H 110 7.948 7.948 8.230 -0.282 19773 2252 1 9 . 1 1 111 111 ARG N N 111 119.390 119.390 118.911 0.479 19773 2253 1 9 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.881 0.021 19773 2254 1 9 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.835 -0.822 19773 2255 1 9 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.032 -0.067 19773 2256 1 9 . 1 1 111 111 ARG H H 111 8.111 8.111 8.045 0.066 19773 2257 1 9 . 1 1 112 112 LYS N N 112 120.418 120.418 119.634 0.784 19773 2258 1 9 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.021 0.038 19773 2259 1 9 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.407 -0.692 19773 2260 1 9 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.382 0.061 19773 2261 1 9 . 1 1 112 112 LYS H H 112 8.273 8.273 7.808 0.465 19773 2262 1 9 . 1 1 113 113 ALA N N 113 122.758 122.758 121.956 0.802 19773 2263 1 9 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.308 -0.139 19773 2264 1 9 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.840 -0.547 19773 2265 1 9 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.405 -0.352 19773 2266 1 9 . 1 1 113 113 ALA H H 113 7.978 7.978 7.839 0.139 19773 2267 1 9 . 1 1 114 114 ILE N N 114 120.171 120.171 118.968 1.203 19773 2268 1 9 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.636 0.130 19773 2269 1 9 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.150 -1.730 19773 2270 1 9 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.851 0.227 19773 2271 1 9 . 1 1 114 114 ILE H H 114 8.229 8.229 7.914 0.315 19773 2272 1 9 . 1 1 115 115 ALA N N 115 123.999 123.999 121.944 2.055 19773 2273 1 9 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.949 0.158 19773 2274 1 9 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.384 -1.063 19773 2275 1 9 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.933 0.121 19773 2276 1 9 . 1 1 115 115 ALA H H 115 8.072 8.072 8.189 -0.117 19773 2277 1 9 . 1 1 116 116 GLU N N 116 118.140 118.140 118.714 -0.574 19773 2278 1 9 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.931 0.189 19773 2279 1 9 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.325 -1.549 19773 2280 1 9 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.459 -0.148 19773 2281 1 9 . 1 1 116 116 GLU H H 116 8.313 8.313 8.131 0.182 19773 2282 1 9 . 1 1 117 117 SER N N 117 115.640 115.640 115.187 0.453 19773 2283 1 9 . 1 1 117 117 SER HA H 117 4.291 4.291 4.153 0.138 19773 2284 1 9 . 1 1 117 117 SER CA C 117 59.647 59.647 61.765 -2.118 19773 2285 1 9 . 1 1 117 117 SER CB C 117 63.022 63.022 63.229 -0.207 19773 2286 1 9 . 1 1 117 117 SER H H 117 8.040 8.040 7.618 0.422 19773 2287 1 9 . 1 1 118 118 LEU N N 118 122.593 122.593 119.816 2.777 19773 2288 1 9 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.192 0.032 19773 2289 1 9 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.914 -1.039 19773 2290 1 9 . 1 1 118 118 LEU CB C 118 41.794 41.794 41.566 0.228 19773 2291 1 9 . 1 1 118 118 LEU H H 118 7.968 7.968 7.641 0.327 19773 2292 1 9 . 1 1 119 119 ASN N N 119 117.828 117.828 115.157 2.671 19773 2293 1 9 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.615 0.019 19773 2294 1 9 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.723 -0.190 19773 2295 1 9 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.134 -0.589 19773 2296 1 9 . 1 1 119 119 ASN H H 119 8.183 8.183 8.072 0.111 19773 2297 1 9 . 1 1 120 120 SER N N 120 115.484 115.484 116.549 -1.065 19773 2298 1 9 . 1 1 120 120 SER HA H 120 4.332 4.332 4.494 -0.162 19773 2299 1 9 . 1 1 120 120 SER CA C 120 58.417 58.417 58.554 -0.137 19773 2300 1 9 . 1 1 120 120 SER CB C 120 63.386 63.386 63.805 -0.419 19773 2301 1 9 . 1 1 120 120 SER H H 120 8.183 8.183 7.702 0.481 19773 2302 1 9 . 1 1 121 121 CYS N N 121 123.139 123.139 124.662 -1.523 19773 2303 1 9 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.101 -2.203 19773 2304 1 9 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.511 1.053 19773 2305 1 9 . 1 1 121 121 CYS H H 121 8.450 8.450 8.395 0.055 19773 2306 1 9 . 1 1 124 124 SER N N 124 116.031 116.031 117.910 -1.879 19773 2307 1 9 . 1 1 124 124 SER HA H 124 4.311 4.311 4.223 0.088 19773 2308 1 9 . 1 1 124 124 SER CA C 124 58.360 58.360 58.734 -0.374 19773 2309 1 9 . 1 1 124 124 SER CB C 124 63.486 63.486 64.126 -0.640 19773 2310 1 9 . 1 1 124 124 SER H H 124 8.587 8.587 8.277 0.310 19773 2311 1 9 . 1 1 125 125 ASP N N 125 122.514 122.514 126.873 -4.359 19773 2312 1 9 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.622 -0.067 19773 2313 1 9 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.620 -0.604 19773 2314 1 9 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.470 -0.606 19773 2315 1 9 . 1 1 125 125 ASP H H 125 8.424 8.424 8.729 -0.305 19773 2316 1 9 . 1 1 126 126 ALA N N 126 124.858 124.858 126.260 -1.402 19773 2317 1 9 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.099 0.124 19773 2318 1 9 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.453 -1.698 19773 2319 1 9 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.617 0.078 19773 2320 1 9 . 1 1 126 126 ALA H H 126 8.398 8.398 8.479 -0.081 19773 2321 1 9 . 1 1 127 127 SER N N 127 114.781 114.781 113.052 1.729 19773 2322 1 9 . 1 1 127 127 SER HA H 127 4.296 4.296 4.346 -0.050 19773 2323 1 9 . 1 1 127 127 SER CA C 127 58.476 58.476 58.215 0.261 19773 2324 1 9 . 1 1 127 127 SER CB C 127 63.408 63.408 63.121 0.287 19773 2325 1 9 . 1 1 127 127 SER H H 127 8.398 8.398 7.849 0.549 19773 2326 1 9 . 1 1 128 128 ALA N N 128 125.639 125.639 122.740 2.899 19773 2327 1 9 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.085 0.201 19773 2328 1 9 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.141 -0.729 19773 2329 1 9 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.231 1.769 19773 2330 1 9 . 1 1 128 128 ALA H H 128 8.261 8.261 7.866 0.395 19773 2331 1 9 . 1 1 129 129 THR N N 129 113.687 113.687 116.326 -2.639 19773 2332 1 9 . 1 1 129 129 THR HA H 129 4.223 4.223 4.204 0.019 19773 2333 1 9 . 1 1 129 129 THR CA C 129 61.793 61.793 63.542 -1.749 19773 2334 1 9 . 1 1 129 129 THR CB C 129 69.378 69.378 69.293 0.085 19773 2335 1 9 . 1 1 129 129 THR H H 129 8.196 8.196 7.662 0.534 19773 2336 1 9 . 1 1 130 130 ARG N N 130 124.467 124.467 126.142 -1.675 19773 2337 1 9 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.283 0.090 19773 2338 1 9 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.564 -0.996 19773 2339 1 9 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.866 -0.219 19773 2340 1 9 . 1 1 130 130 ARG H H 130 8.450 8.450 8.609 -0.159 19773 2341 1 10 . 1 1 -2 -2 LEU N N -2 122.671 122.671 123.965 -1.294 19773 2342 1 10 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.170 0.108 19773 2343 1 10 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.368 -0.083 19773 2344 1 10 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.084 -0.246 19773 2345 1 10 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.449 0.249 19773 2346 1 10 . 1 1 -1 -1 GLY N N -1 109.817 109.817 105.035 4.782 19773 2347 1 10 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.214 0.884 19773 2348 1 10 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.663 0.872 19773 2349 1 10 . 1 1 75 75 LYS N N 75 122.983 122.983 119.824 3.159 19773 2350 1 10 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.299 -0.083 19773 2351 1 10 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.153 0.218 19773 2352 1 10 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.071 -0.583 19773 2353 1 10 . 1 1 75 75 LYS H H 75 8.411 8.411 7.789 0.622 19773 2354 1 10 . 1 1 76 76 ILE N N 76 122.749 122.749 121.793 0.956 19773 2355 1 10 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.066 -0.007 19773 2356 1 10 . 1 1 76 76 ILE CA C 76 61.181 61.181 60.285 0.896 19773 2357 1 10 . 1 1 76 76 ILE CB C 76 38.371 38.371 37.291 1.080 19773 2358 1 10 . 1 1 76 76 ILE H H 76 8.242 8.242 7.363 0.879 19773 2359 1 10 . 1 1 77 77 ALA N N 77 127.358 127.358 131.298 -3.940 19773 2360 1 10 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.460 -0.277 19773 2361 1 10 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.579 1.030 19773 2362 1 10 . 1 1 77 77 ALA CB C 77 18.812 18.812 20.435 -1.623 19773 2363 1 10 . 1 1 77 77 ALA H H 77 8.463 8.463 8.264 0.199 19773 2364 1 10 . 1 1 78 78 GLN N N 78 119.077 119.077 119.804 -0.727 19773 2365 1 10 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.305 -0.091 19773 2366 1 10 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.239 0.357 19773 2367 1 10 . 1 1 78 78 GLN CB C 78 29.016 29.016 28.957 0.059 19773 2368 1 10 . 1 1 78 78 GLN H H 78 8.359 8.359 8.401 -0.042 19773 2369 1 10 . 1 1 79 79 MET N N 79 121.781 121.781 124.275 -2.494 19773 2370 1 10 . 1 1 79 79 MET HA H 79 4.450 4.450 4.569 -0.119 19773 2371 1 10 . 1 1 79 79 MET CA C 79 55.906 55.906 55.483 0.423 19773 2372 1 10 . 1 1 79 79 MET CB C 79 34.019 34.019 33.377 0.642 19773 2373 1 10 . 1 1 79 79 MET H H 79 8.360 8.360 8.527 -0.167 19773 2374 1 10 . 1 1 83 83 GLU N N 83 120.249 120.249 121.638 -1.389 19773 2375 1 10 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.082 -0.026 19773 2376 1 10 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.977 -0.176 19773 2377 1 10 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.860 -0.545 19773 2378 1 10 . 1 1 83 83 GLU H H 83 8.776 8.776 8.575 0.201 19773 2379 1 10 . 1 1 84 84 GLN N N 84 119.958 119.958 119.689 0.269 19773 2380 1 10 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.062 -0.077 19773 2381 1 10 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.840 -0.931 19773 2382 1 10 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.770 -0.380 19773 2383 1 10 . 1 1 84 84 GLN H H 84 8.037 8.037 7.722 0.315 19773 2384 1 10 . 1 1 85 85 PHE N N 85 121.733 121.733 120.690 1.043 19773 2385 1 10 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.217 0.088 19773 2386 1 10 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.272 -1.016 19773 2387 1 10 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.989 -0.273 19773 2388 1 10 . 1 1 85 85 PHE H H 85 8.652 8.652 8.704 -0.052 19773 2389 1 10 . 1 1 86 86 ALA N N 86 121.811 121.811 121.962 -0.151 19773 2390 1 10 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.946 0.106 19773 2391 1 10 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.046 -0.731 19773 2392 1 10 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.226 -0.152 19773 2393 1 10 . 1 1 86 86 ALA H H 86 8.209 8.209 8.062 0.147 19773 2394 1 10 . 1 1 87 87 LEU N N 87 119.780 119.780 119.617 0.163 19773 2395 1 10 . 1 1 87 87 LEU HA H 87 4.137 4.137 4.049 0.088 19773 2396 1 10 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.022 -0.195 19773 2397 1 10 . 1 1 87 87 LEU CB C 87 41.605 41.605 40.773 0.832 19773 2398 1 10 . 1 1 87 87 LEU H H 87 7.877 7.877 8.099 -0.222 19773 2399 1 10 . 1 1 88 88 ALA N N 88 122.593 122.593 122.362 0.231 19773 2400 1 10 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.906 0.146 19773 2401 1 10 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.113 -1.092 19773 2402 1 10 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.195 -0.427 19773 2403 1 10 . 1 1 88 88 ALA H H 88 8.020 8.020 8.172 -0.152 19773 2404 1 10 . 1 1 89 89 LEU N N 89 120.028 120.028 118.211 1.817 19773 2405 1 10 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.752 0.300 19773 2406 1 10 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.548 -1.046 19773 2407 1 10 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.370 0.168 19773 2408 1 10 . 1 1 89 89 LEU H H 89 8.021 8.021 7.516 0.505 19773 2409 1 10 . 1 1 90 90 LYS N N 90 120.483 120.483 119.038 1.445 19773 2410 1 10 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.944 0.204 19773 2411 1 10 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.964 -1.407 19773 2412 1 10 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.102 0.113 19773 2413 1 10 . 1 1 90 90 LYS H H 90 7.896 7.896 7.566 0.330 19773 2414 1 10 . 1 1 91 91 MET N N 91 119.156 119.156 119.493 -0.337 19773 2415 1 10 . 1 1 91 91 MET HA H 91 4.291 4.291 4.173 0.118 19773 2416 1 10 . 1 1 91 91 MET CA C 91 56.541 56.541 57.294 -0.753 19773 2417 1 10 . 1 1 91 91 MET H H 91 8.320 8.320 8.377 -0.057 19773 2418 1 10 . 1 1 92 92 SER N N 92 116.382 116.382 115.809 0.573 19773 2419 1 10 . 1 1 92 92 SER HA H 92 4.291 4.291 4.118 0.173 19773 2420 1 10 . 1 1 92 92 SER CA C 92 59.584 59.584 61.717 -2.133 19773 2421 1 10 . 1 1 92 92 SER CB C 92 63.074 63.074 62.809 0.265 19773 2422 1 10 . 1 1 92 92 SER H H 92 8.297 8.297 7.991 0.306 19773 2423 1 10 . 1 1 93 93 GLU N N 93 122.202 122.202 120.119 2.083 19773 2424 1 10 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.023 0.112 19773 2425 1 10 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.320 -1.812 19773 2426 1 10 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.198 0.415 19773 2427 1 10 . 1 1 93 93 GLU H H 93 8.313 8.313 7.887 0.426 19773 2428 1 10 . 1 1 94 94 GLN N N 94 119.546 119.546 119.635 -0.089 19773 2429 1 10 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.099 0.036 19773 2430 1 10 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.411 -1.534 19773 2431 1 10 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.775 0.051 19773 2432 1 10 . 1 1 94 94 GLN H H 94 8.177 8.177 7.692 0.485 19773 2433 1 10 . 1 1 95 95 GLU N N 95 121.030 121.030 115.982 5.048 19773 2434 1 10 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.356 -0.290 19773 2435 1 10 . 1 1 95 95 GLU CA C 95 57.161 57.161 55.944 1.216 19773 2436 1 10 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.632 0.274 19773 2437 1 10 . 1 1 95 95 GLU H H 95 8.281 8.281 7.769 0.512 19773 2438 1 10 . 1 1 96 96 ALA N N 96 123.530 123.530 120.681 2.849 19773 2439 1 10 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.991 0.192 19773 2440 1 10 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.857 -0.098 19773 2441 1 10 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.174 1.231 19773 2442 1 10 . 1 1 96 96 ALA H H 96 8.242 8.242 7.650 0.592 19773 2443 1 10 . 1 1 97 97 ARG N N 97 119.624 119.624 113.087 6.537 19773 2444 1 10 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.864 0.345 19773 2445 1 10 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.511 -1.042 19773 2446 1 10 . 1 1 97 97 ARG CB C 97 30.641 30.641 27.999 2.642 19773 2447 1 10 . 1 1 97 97 ARG H H 97 8.131 8.131 8.525 -0.394 19773 2448 1 10 . 1 1 98 98 GLU N N 98 121.837 121.837 117.127 4.710 19773 2449 1 10 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.353 -0.176 19773 2450 1 10 . 1 1 98 98 GLU CA C 98 56.531 56.531 57.311 -0.780 19773 2451 1 10 . 1 1 98 98 GLU CB C 98 29.665 29.665 31.011 -1.346 19773 2452 1 10 . 1 1 98 98 GLU H H 98 8.374 8.374 7.700 0.674 19773 2453 1 10 . 1 1 99 99 VAL N N 99 121.265 121.265 120.618 0.647 19773 2454 1 10 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.084 -0.110 19773 2455 1 10 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.607 0.896 19773 2456 1 10 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.574 -0.117 19773 2457 1 10 . 1 1 99 99 VAL H H 99 8.261 8.261 7.701 0.560 19773 2458 1 10 . 1 1 100 100 ASN N N 100 122.280 122.280 122.117 0.163 19773 2459 1 10 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.625 0.093 19773 2460 1 10 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.245 -0.128 19773 2461 1 10 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.129 -0.360 19773 2462 1 10 . 1 1 100 100 ASN H H 100 8.639 8.639 8.674 -0.035 19773 2463 1 10 . 1 1 101 101 SER N N 101 117.046 117.046 122.565 -5.519 19773 2464 1 10 . 1 1 101 101 SER HA H 101 4.349 4.349 4.409 -0.060 19773 2465 1 10 . 1 1 101 101 SER CA C 101 58.970 58.970 60.705 -1.735 19773 2466 1 10 . 1 1 101 101 SER CB C 101 63.397 63.397 63.217 0.180 19773 2467 1 10 . 1 1 101 101 SER H H 101 8.542 8.542 8.971 -0.429 19773 2468 1 10 . 1 1 102 102 GLN N N 102 122.514 122.514 120.306 2.208 19773 2469 1 10 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.033 0.170 19773 2470 1 10 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.568 -2.398 19773 2471 1 10 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.056 0.333 19773 2472 1 10 . 1 1 102 102 GLN H H 102 8.594 8.594 8.076 0.518 19773 2473 1 10 . 1 1 103 103 GLU N N 103 120.874 120.874 118.270 2.604 19773 2474 1 10 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.229 -0.136 19773 2475 1 10 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.233 -1.240 19773 2476 1 10 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.933 0.556 19773 2477 1 10 . 1 1 103 103 GLU H H 103 8.496 8.496 8.803 -0.307 19773 2478 1 10 . 1 1 104 104 GLU N N 104 120.874 120.874 120.405 0.469 19773 2479 1 10 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.062 0.060 19773 2480 1 10 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.037 -1.190 19773 2481 1 10 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.546 0.097 19773 2482 1 10 . 1 1 104 104 GLU H H 104 8.379 8.379 7.784 0.595 19773 2483 1 10 . 1 1 105 105 GLU N N 105 121.421 121.421 119.102 2.319 19773 2484 1 10 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.066 0.055 19773 2485 1 10 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.333 -1.251 19773 2486 1 10 . 1 1 105 105 GLU H H 105 8.437 8.437 8.397 0.040 19773 2487 1 10 . 1 1 106 106 GLU N N 106 120.640 120.640 119.561 1.079 19773 2488 1 10 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.996 0.008 19773 2489 1 10 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.448 -0.773 19773 2490 1 10 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.512 -0.191 19773 2491 1 10 . 1 1 106 106 GLU H H 106 8.463 8.463 8.127 0.336 19773 2492 1 10 . 1 1 107 107 GLU N N 107 120.249 120.249 120.109 0.140 19773 2493 1 10 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.983 0.062 19773 2494 1 10 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.597 -0.595 19773 2495 1 10 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.534 -0.498 19773 2496 1 10 . 1 1 107 107 GLU H H 107 8.385 8.385 7.804 0.581 19773 2497 1 10 . 1 1 108 108 GLU N N 108 120.902 120.902 119.417 1.485 19773 2498 1 10 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.077 0.051 19773 2499 1 10 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.149 -0.747 19773 2500 1 10 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.325 -0.505 19773 2501 1 10 . 1 1 108 108 GLU H H 108 8.125 8.125 7.794 0.331 19773 2502 1 10 . 1 1 109 109 LEU N N 109 120.327 120.327 119.696 0.631 19773 2503 1 10 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.122 -0.128 19773 2504 1 10 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.151 0.308 19773 2505 1 10 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.081 0.404 19773 2506 1 10 . 1 1 109 109 LEU H H 109 8.085 8.085 7.784 0.301 19773 2507 1 10 . 1 1 110 110 LEU N N 110 121.108 121.108 121.197 -0.089 19773 2508 1 10 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.961 0.194 19773 2509 1 10 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.181 -0.984 19773 2510 1 10 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.645 -0.173 19773 2511 1 10 . 1 1 110 110 LEU H H 110 7.948 7.948 8.384 -0.436 19773 2512 1 10 . 1 1 111 111 ARG N N 111 119.390 119.390 118.966 0.424 19773 2513 1 10 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.894 0.008 19773 2514 1 10 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.892 -0.879 19773 2515 1 10 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.093 -0.128 19773 2516 1 10 . 1 1 111 111 ARG H H 111 8.111 8.111 8.177 -0.066 19773 2517 1 10 . 1 1 112 112 LYS N N 112 120.418 120.418 119.017 1.401 19773 2518 1 10 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.053 0.006 19773 2519 1 10 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.491 -0.776 19773 2520 1 10 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.307 0.136 19773 2521 1 10 . 1 1 112 112 LYS H H 112 8.273 8.273 7.779 0.494 19773 2522 1 10 . 1 1 113 113 ALA N N 113 122.758 122.758 122.731 0.027 19773 2523 1 10 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.064 0.105 19773 2524 1 10 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.230 -0.937 19773 2525 1 10 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.258 -0.205 19773 2526 1 10 . 1 1 113 113 ALA H H 113 7.978 7.978 8.173 -0.195 19773 2527 1 10 . 1 1 114 114 ILE N N 114 120.171 120.171 118.809 1.362 19773 2528 1 10 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.692 0.074 19773 2529 1 10 . 1 1 114 114 ILE CA C 114 63.420 63.420 63.859 -0.439 19773 2530 1 10 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.859 1.219 19773 2531 1 10 . 1 1 114 114 ILE H H 114 8.229 8.229 7.872 0.357 19773 2532 1 10 . 1 1 115 115 ALA N N 115 123.999 123.999 122.636 1.363 19773 2533 1 10 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.946 0.161 19773 2534 1 10 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.425 -1.104 19773 2535 1 10 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.184 -0.130 19773 2536 1 10 . 1 1 115 115 ALA H H 115 8.072 8.072 8.039 0.033 19773 2537 1 10 . 1 1 116 116 GLU N N 116 118.140 118.140 118.416 -0.276 19773 2538 1 10 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.029 0.091 19773 2539 1 10 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.179 -1.403 19773 2540 1 10 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.166 0.145 19773 2541 1 10 . 1 1 116 116 GLU H H 116 8.313 8.313 8.191 0.122 19773 2542 1 10 . 1 1 117 117 SER N N 117 115.640 115.640 115.810 -0.170 19773 2543 1 10 . 1 1 117 117 SER HA H 117 4.291 4.291 4.213 0.078 19773 2544 1 10 . 1 1 117 117 SER CA C 117 59.647 59.647 61.784 -2.137 19773 2545 1 10 . 1 1 117 117 SER CB C 117 63.022 63.022 63.160 -0.138 19773 2546 1 10 . 1 1 117 117 SER H H 117 8.040 8.040 8.078 -0.038 19773 2547 1 10 . 1 1 118 118 LEU N N 118 122.593 122.593 120.350 2.243 19773 2548 1 10 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.118 0.106 19773 2549 1 10 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.010 -1.135 19773 2550 1 10 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.122 -0.328 19773 2551 1 10 . 1 1 118 118 LEU H H 118 7.968 7.968 8.023 -0.055 19773 2552 1 10 . 1 1 119 119 ASN N N 119 117.828 117.828 114.811 3.017 19773 2553 1 10 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.647 -0.013 19773 2554 1 10 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.543 -0.010 19773 2555 1 10 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.886 -0.341 19773 2556 1 10 . 1 1 119 119 ASN H H 119 8.183 8.183 8.000 0.183 19773 2557 1 10 . 1 1 120 120 SER N N 120 115.484 115.484 115.893 -0.409 19773 2558 1 10 . 1 1 120 120 SER HA H 120 4.332 4.332 4.372 -0.040 19773 2559 1 10 . 1 1 120 120 SER CA C 120 58.417 58.417 58.527 -0.110 19773 2560 1 10 . 1 1 120 120 SER CB C 120 63.386 63.386 63.865 -0.479 19773 2561 1 10 . 1 1 120 120 SER H H 120 8.183 8.183 7.474 0.709 19773 2562 1 10 . 1 1 121 121 CYS N N 121 123.139 123.139 123.175 -0.036 19773 2563 1 10 . 1 1 121 121 CYS CA C 121 55.898 55.898 57.956 -2.058 19773 2564 1 10 . 1 1 121 121 CYS CB C 121 30.564 30.564 30.744 -0.180 19773 2565 1 10 . 1 1 121 121 CYS H H 121 8.450 8.450 8.457 -0.007 19773 2566 1 10 . 1 1 124 124 SER N N 124 116.031 116.031 118.161 -2.130 19773 2567 1 10 . 1 1 124 124 SER HA H 124 4.311 4.311 4.253 0.058 19773 2568 1 10 . 1 1 124 124 SER CA C 124 58.360 58.360 58.839 -0.479 19773 2569 1 10 . 1 1 124 124 SER CB C 124 63.486 63.486 63.817 -0.331 19773 2570 1 10 . 1 1 124 124 SER H H 124 8.587 8.587 8.223 0.364 19773 2571 1 10 . 1 1 125 125 ASP N N 125 122.514 122.514 126.076 -3.562 19773 2572 1 10 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.582 -0.027 19773 2573 1 10 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.777 -0.761 19773 2574 1 10 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.595 -0.731 19773 2575 1 10 . 1 1 125 125 ASP H H 125 8.424 8.424 8.534 -0.110 19773 2576 1 10 . 1 1 126 126 ALA N N 126 124.858 124.858 127.293 -2.435 19773 2577 1 10 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.136 0.087 19773 2578 1 10 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.180 -1.425 19773 2579 1 10 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.923 -0.228 19773 2580 1 10 . 1 1 126 126 ALA H H 126 8.398 8.398 8.428 -0.030 19773 2581 1 10 . 1 1 127 127 SER N N 127 114.781 114.781 113.574 1.207 19773 2582 1 10 . 1 1 127 127 SER HA H 127 4.296 4.296 4.370 -0.074 19773 2583 1 10 . 1 1 127 127 SER CA C 127 58.476 58.476 58.645 -0.169 19773 2584 1 10 . 1 1 127 127 SER CB C 127 63.408 63.408 63.589 -0.180 19773 2585 1 10 . 1 1 127 127 SER H H 127 8.398 8.398 8.364 0.033 19773 2586 1 10 . 1 1 128 128 ALA N N 128 125.639 125.639 121.204 4.435 19773 2587 1 10 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.077 0.209 19773 2588 1 10 . 1 1 128 128 ALA CA C 128 52.412 52.412 52.773 -0.361 19773 2589 1 10 . 1 1 128 128 ALA CB C 128 19.000 19.000 16.931 2.069 19773 2590 1 10 . 1 1 128 128 ALA H H 128 8.261 8.261 7.357 0.904 19773 2591 1 10 . 1 1 129 129 THR N N 129 113.687 113.687 112.960 0.727 19773 2592 1 10 . 1 1 129 129 THR HA H 129 4.223 4.223 4.311 -0.088 19773 2593 1 10 . 1 1 129 129 THR CA C 129 61.793 61.793 61.013 0.780 19773 2594 1 10 . 1 1 129 129 THR CB C 129 69.378 69.378 69.671 -0.293 19773 2595 1 10 . 1 1 129 129 THR H H 129 8.196 8.196 7.755 0.441 19773 2596 1 10 . 1 1 130 130 ARG N N 130 124.467 124.467 126.110 -1.643 19773 2597 1 10 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.369 0.004 19773 2598 1 10 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.958 -1.390 19773 2599 1 10 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.739 -0.092 19773 2600 1 10 . 1 1 130 130 ARG H H 130 8.450 8.450 8.565 -0.115 19773 2601 1 11 . 1 1 -2 -2 LEU N N -2 122.671 122.671 122.060 0.611 19773 2602 1 11 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.148 0.130 19773 2603 1 11 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 56.705 -1.420 19773 2604 1 11 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.128 -0.290 19773 2605 1 11 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.369 0.329 19773 2606 1 11 . 1 1 -1 -1 GLY N N -1 109.817 109.817 103.213 6.604 19773 2607 1 11 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.587 0.511 19773 2608 1 11 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.713 0.822 19773 2609 1 11 . 1 1 75 75 LYS N N 75 122.983 122.983 119.339 3.644 19773 2610 1 11 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.359 -0.143 19773 2611 1 11 . 1 1 75 75 LYS CA C 75 56.371 56.371 55.633 0.738 19773 2612 1 11 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.002 -0.514 19773 2613 1 11 . 1 1 75 75 LYS H H 75 8.411 8.411 7.916 0.495 19773 2614 1 11 . 1 1 76 76 ILE N N 76 122.749 122.749 121.692 1.057 19773 2615 1 11 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.039 0.020 19773 2616 1 11 . 1 1 76 76 ILE CA C 76 61.181 61.181 60.114 1.067 19773 2617 1 11 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.167 0.204 19773 2618 1 11 . 1 1 76 76 ILE H H 76 8.242 8.242 7.317 0.925 19773 2619 1 11 . 1 1 77 77 ALA N N 77 127.358 127.358 131.245 -3.887 19773 2620 1 11 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.337 -0.154 19773 2621 1 11 . 1 1 77 77 ALA CA C 77 52.609 52.609 52.288 0.321 19773 2622 1 11 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.463 -0.651 19773 2623 1 11 . 1 1 77 77 ALA H H 77 8.463 8.463 8.240 0.223 19773 2624 1 11 . 1 1 78 78 GLN N N 78 119.077 119.077 120.740 -1.663 19773 2625 1 11 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.377 -0.163 19773 2626 1 11 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.290 0.306 19773 2627 1 11 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.966 -0.950 19773 2628 1 11 . 1 1 78 78 GLN H H 78 8.359 8.359 8.319 0.040 19773 2629 1 11 . 1 1 79 79 MET N N 79 121.781 121.781 122.578 -0.797 19773 2630 1 11 . 1 1 79 79 MET HA H 79 4.450 4.450 4.536 -0.086 19773 2631 1 11 . 1 1 79 79 MET CA C 79 55.906 55.906 55.223 0.683 19773 2632 1 11 . 1 1 79 79 MET CB C 79 34.019 34.019 33.095 0.924 19773 2633 1 11 . 1 1 79 79 MET H H 79 8.360 8.360 8.425 -0.065 19773 2634 1 11 . 1 1 83 83 GLU N N 83 120.249 120.249 121.594 -1.345 19773 2635 1 11 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.000 0.056 19773 2636 1 11 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.903 -0.102 19773 2637 1 11 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.745 -0.430 19773 2638 1 11 . 1 1 83 83 GLU H H 83 8.776 8.776 8.675 0.101 19773 2639 1 11 . 1 1 84 84 GLN N N 84 119.958 119.958 118.909 1.049 19773 2640 1 11 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.100 -0.115 19773 2641 1 11 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.523 -0.615 19773 2642 1 11 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.297 0.093 19773 2643 1 11 . 1 1 84 84 GLN H H 84 8.037 8.037 7.580 0.457 19773 2644 1 11 . 1 1 85 85 PHE N N 85 121.733 121.733 121.167 0.566 19773 2645 1 11 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.139 0.166 19773 2646 1 11 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.219 -0.963 19773 2647 1 11 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.931 -0.215 19773 2648 1 11 . 1 1 85 85 PHE H H 85 8.652 8.652 8.022 0.630 19773 2649 1 11 . 1 1 86 86 ALA N N 86 121.811 121.811 122.147 -0.336 19773 2650 1 11 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.927 0.125 19773 2651 1 11 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.092 -0.777 19773 2652 1 11 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.227 -0.153 19773 2653 1 11 . 1 1 86 86 ALA H H 86 8.209 8.209 7.978 0.231 19773 2654 1 11 . 1 1 87 87 LEU N N 87 119.780 119.780 119.004 0.776 19773 2655 1 11 . 1 1 87 87 LEU HA H 87 4.137 4.137 4.015 0.122 19773 2656 1 11 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.279 -0.453 19773 2657 1 11 . 1 1 87 87 LEU CB C 87 41.605 41.605 40.758 0.847 19773 2658 1 11 . 1 1 87 87 LEU H H 87 7.877 7.877 7.981 -0.103 19773 2659 1 11 . 1 1 88 88 ALA N N 88 122.593 122.593 122.487 0.106 19773 2660 1 11 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.926 0.126 19773 2661 1 11 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.032 -1.011 19773 2662 1 11 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.167 -0.399 19773 2663 1 11 . 1 1 88 88 ALA H H 88 8.020 8.020 8.096 -0.076 19773 2664 1 11 . 1 1 89 89 LEU N N 89 120.028 120.028 118.062 1.966 19773 2665 1 11 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.747 0.305 19773 2666 1 11 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.151 -0.649 19773 2667 1 11 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.522 0.016 19773 2668 1 11 . 1 1 89 89 LEU H H 89 8.021 8.021 7.543 0.478 19773 2669 1 11 . 1 1 90 90 LYS N N 90 120.483 120.483 117.644 2.839 19773 2670 1 11 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.911 0.237 19773 2671 1 11 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.449 -1.892 19773 2672 1 11 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.282 -0.067 19773 2673 1 11 . 1 1 90 90 LYS H H 90 7.896 7.896 7.597 0.299 19773 2674 1 11 . 1 1 91 91 MET N N 91 119.156 119.156 120.486 -1.330 19773 2675 1 11 . 1 1 91 91 MET HA H 91 4.291 4.291 4.122 0.169 19773 2676 1 11 . 1 1 91 91 MET CA C 91 56.541 56.541 58.686 -2.145 19773 2677 1 11 . 1 1 91 91 MET H H 91 8.320 8.320 8.503 -0.183 19773 2678 1 11 . 1 1 92 92 SER N N 92 116.382 116.382 114.941 1.441 19773 2679 1 11 . 1 1 92 92 SER HA H 92 4.291 4.291 4.112 0.179 19773 2680 1 11 . 1 1 92 92 SER CA C 92 59.584 59.584 61.701 -2.117 19773 2681 1 11 . 1 1 92 92 SER CB C 92 63.074 63.074 61.833 1.242 19773 2682 1 11 . 1 1 92 92 SER H H 92 8.297 8.297 7.938 0.359 19773 2683 1 11 . 1 1 93 93 GLU N N 93 122.202 122.202 122.042 0.160 19773 2684 1 11 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.315 -0.180 19773 2685 1 11 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.016 -1.508 19773 2686 1 11 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.300 0.313 19773 2687 1 11 . 1 1 93 93 GLU H H 93 8.313 8.313 7.685 0.628 19773 2688 1 11 . 1 1 94 94 GLN N N 94 119.546 119.546 118.845 0.701 19773 2689 1 11 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.132 0.003 19773 2690 1 11 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.038 -1.161 19773 2691 1 11 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.233 0.593 19773 2692 1 11 . 1 1 94 94 GLN H H 94 8.177 8.177 7.523 0.654 19773 2693 1 11 . 1 1 95 95 GLU N N 95 121.030 121.030 116.770 4.260 19773 2694 1 11 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.300 -0.234 19773 2695 1 11 . 1 1 95 95 GLU CA C 95 57.161 57.161 55.900 1.261 19773 2696 1 11 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.265 0.641 19773 2697 1 11 . 1 1 95 95 GLU H H 95 8.281 8.281 7.606 0.675 19773 2698 1 11 . 1 1 96 96 ALA N N 96 123.530 123.530 119.041 4.489 19773 2699 1 11 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.879 0.304 19773 2700 1 11 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.251 -0.492 19773 2701 1 11 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.676 0.729 19773 2702 1 11 . 1 1 96 96 ALA H H 96 8.242 8.242 7.549 0.693 19773 2703 1 11 . 1 1 97 97 ARG N N 97 119.624 119.624 118.709 0.915 19773 2704 1 11 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.576 -0.367 19773 2705 1 11 . 1 1 97 97 ARG CA C 97 56.469 56.469 53.828 2.641 19773 2706 1 11 . 1 1 97 97 ARG CB C 97 30.641 30.641 32.288 -1.647 19773 2707 1 11 . 1 1 97 97 ARG H H 97 8.131 8.131 8.260 -0.129 19773 2708 1 11 . 1 1 98 98 GLU N N 98 121.837 121.837 117.415 4.422 19773 2709 1 11 . 1 1 98 98 GLU HA H 98 4.177 4.177 3.966 0.211 19773 2710 1 11 . 1 1 98 98 GLU CA C 98 56.531 56.531 57.173 -0.642 19773 2711 1 11 . 1 1 98 98 GLU CB C 98 29.665 29.665 28.560 1.105 19773 2712 1 11 . 1 1 98 98 GLU H H 98 8.374 8.374 8.745 -0.371 19773 2713 1 11 . 1 1 99 99 VAL N N 99 121.265 121.265 117.202 4.063 19773 2714 1 11 . 1 1 99 99 VAL HA H 99 3.974 3.974 3.902 0.072 19773 2715 1 11 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.883 -0.380 19773 2716 1 11 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.432 0.025 19773 2717 1 11 . 1 1 99 99 VAL H H 99 8.261 8.261 7.555 0.706 19773 2718 1 11 . 1 1 100 100 ASN N N 100 122.280 122.280 122.296 -0.016 19773 2719 1 11 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.692 0.026 19773 2720 1 11 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.475 -0.358 19773 2721 1 11 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.228 -0.460 19773 2722 1 11 . 1 1 100 100 ASN H H 100 8.639 8.639 8.446 0.193 19773 2723 1 11 . 1 1 101 101 SER N N 101 117.046 117.046 119.524 -2.478 19773 2724 1 11 . 1 1 101 101 SER HA H 101 4.349 4.349 4.089 0.260 19773 2725 1 11 . 1 1 101 101 SER CA C 101 58.970 58.970 60.877 -1.907 19773 2726 1 11 . 1 1 101 101 SER CB C 101 63.397 63.397 63.137 0.260 19773 2727 1 11 . 1 1 101 101 SER H H 101 8.542 8.542 8.974 -0.432 19773 2728 1 11 . 1 1 102 102 GLN N N 102 122.514 122.514 119.157 3.357 19773 2729 1 11 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.034 0.169 19773 2730 1 11 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.325 -2.155 19773 2731 1 11 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.370 0.018 19773 2732 1 11 . 1 1 102 102 GLN H H 102 8.594 8.594 8.441 0.153 19773 2733 1 11 . 1 1 103 103 GLU N N 103 120.874 120.874 119.870 1.004 19773 2734 1 11 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.023 0.070 19773 2735 1 11 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.355 -1.362 19773 2736 1 11 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.226 0.263 19773 2737 1 11 . 1 1 103 103 GLU H H 103 8.496 8.496 8.088 0.408 19773 2738 1 11 . 1 1 104 104 GLU N N 104 120.874 120.874 118.549 2.325 19773 2739 1 11 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.057 0.065 19773 2740 1 11 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.068 -1.221 19773 2741 1 11 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.193 0.450 19773 2742 1 11 . 1 1 104 104 GLU H H 104 8.379 8.379 7.604 0.775 19773 2743 1 11 . 1 1 105 105 GLU N N 105 121.421 121.421 118.893 2.528 19773 2744 1 11 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.105 0.016 19773 2745 1 11 . 1 1 105 105 GLU CA C 105 58.082 58.082 58.918 -0.836 19773 2746 1 11 . 1 1 105 105 GLU H H 105 8.437 8.437 8.113 0.324 19773 2747 1 11 . 1 1 106 106 GLU N N 106 120.640 120.640 120.044 0.596 19773 2748 1 11 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.039 -0.035 19773 2749 1 11 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.201 -0.526 19773 2750 1 11 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.382 -0.061 19773 2751 1 11 . 1 1 106 106 GLU H H 106 8.463 8.463 8.006 0.457 19773 2752 1 11 . 1 1 107 107 GLU N N 107 120.249 120.249 119.433 0.816 19773 2753 1 11 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.972 0.073 19773 2754 1 11 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.461 -0.459 19773 2755 1 11 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.649 -0.613 19773 2756 1 11 . 1 1 107 107 GLU H H 107 8.385 8.385 7.773 0.612 19773 2757 1 11 . 1 1 108 108 GLU N N 108 120.902 120.902 120.153 0.749 19773 2758 1 11 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.067 0.061 19773 2759 1 11 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.283 -0.881 19773 2760 1 11 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.620 -0.800 19773 2761 1 11 . 1 1 108 108 GLU H H 108 8.125 8.125 7.764 0.361 19773 2762 1 11 . 1 1 109 109 LEU N N 109 120.327 120.327 120.107 0.220 19773 2763 1 11 . 1 1 109 109 LEU HA H 109 3.994 3.994 3.989 0.005 19773 2764 1 11 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.860 -0.400 19773 2765 1 11 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.887 -0.402 19773 2766 1 11 . 1 1 109 109 LEU H H 109 8.085 8.085 8.209 -0.124 19773 2767 1 11 . 1 1 110 110 LEU N N 110 121.108 121.108 118.960 2.148 19773 2768 1 11 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.896 0.259 19773 2769 1 11 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.245 -1.048 19773 2770 1 11 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.403 0.069 19773 2771 1 11 . 1 1 110 110 LEU H H 110 7.948 7.948 8.127 -0.179 19773 2772 1 11 . 1 1 111 111 ARG N N 111 119.390 119.390 118.642 0.748 19773 2773 1 11 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.961 -0.059 19773 2774 1 11 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.834 -0.820 19773 2775 1 11 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.939 0.026 19773 2776 1 11 . 1 1 111 111 ARG H H 111 8.111 8.111 7.996 0.115 19773 2777 1 11 . 1 1 112 112 LYS N N 112 120.418 120.418 120.462 -0.044 19773 2778 1 11 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.018 0.041 19773 2779 1 11 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.432 -0.717 19773 2780 1 11 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.376 0.067 19773 2781 1 11 . 1 1 112 112 LYS H H 112 8.273 8.273 8.127 0.146 19773 2782 1 11 . 1 1 113 113 ALA N N 113 122.758 122.758 121.843 0.915 19773 2783 1 11 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.081 0.088 19773 2784 1 11 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.040 -0.747 19773 2785 1 11 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.141 -0.088 19773 2786 1 11 . 1 1 113 113 ALA H H 113 7.978 7.978 7.969 0.009 19773 2787 1 11 . 1 1 114 114 ILE N N 114 120.171 120.171 119.472 0.699 19773 2788 1 11 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.710 0.056 19773 2789 1 11 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.049 -1.629 19773 2790 1 11 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.849 0.229 19773 2791 1 11 . 1 1 114 114 ILE H H 114 8.229 8.229 7.722 0.507 19773 2792 1 11 . 1 1 115 115 ALA N N 115 123.999 123.999 121.729 2.270 19773 2793 1 11 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.962 0.145 19773 2794 1 11 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.418 -1.097 19773 2795 1 11 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.946 0.108 19773 2796 1 11 . 1 1 115 115 ALA H H 115 8.072 8.072 8.049 0.023 19773 2797 1 11 . 1 1 116 116 GLU N N 116 118.140 118.140 118.738 -0.598 19773 2798 1 11 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.042 0.078 19773 2799 1 11 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.717 -0.941 19773 2800 1 11 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.411 -0.100 19773 2801 1 11 . 1 1 116 116 GLU H H 116 8.313 8.313 8.284 0.029 19773 2802 1 11 . 1 1 117 117 SER N N 117 115.640 115.640 115.946 -0.306 19773 2803 1 11 . 1 1 117 117 SER HA H 117 4.291 4.291 4.201 0.090 19773 2804 1 11 . 1 1 117 117 SER CA C 117 59.647 59.647 61.477 -1.829 19773 2805 1 11 . 1 1 117 117 SER CB C 117 63.022 63.022 62.921 0.101 19773 2806 1 11 . 1 1 117 117 SER H H 117 8.040 8.040 7.953 0.087 19773 2807 1 11 . 1 1 118 118 LEU N N 118 122.593 122.593 120.118 2.475 19773 2808 1 11 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.066 0.158 19773 2809 1 11 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.856 -0.981 19773 2810 1 11 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.047 -0.253 19773 2811 1 11 . 1 1 118 118 LEU H H 118 7.968 7.968 7.757 0.211 19773 2812 1 11 . 1 1 119 119 ASN N N 119 117.828 117.828 113.955 3.873 19773 2813 1 11 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.679 -0.045 19773 2814 1 11 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.304 -0.771 19773 2815 1 11 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.858 -0.313 19773 2816 1 11 . 1 1 119 119 ASN H H 119 8.183 8.183 7.673 0.510 19773 2817 1 11 . 1 1 120 120 SER N N 120 115.484 115.484 115.352 0.132 19773 2818 1 11 . 1 1 120 120 SER HA H 120 4.332 4.332 4.544 -0.212 19773 2819 1 11 . 1 1 120 120 SER CA C 120 58.417 58.417 57.875 0.542 19773 2820 1 11 . 1 1 120 120 SER CB C 120 63.386 63.386 63.885 -0.499 19773 2821 1 11 . 1 1 120 120 SER H H 120 8.183 8.183 7.743 0.440 19773 2822 1 11 . 1 1 121 121 CYS N N 121 123.139 123.139 120.907 2.232 19773 2823 1 11 . 1 1 121 121 CYS CA C 121 55.898 55.898 57.821 -1.923 19773 2824 1 11 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.290 2.274 19773 2825 1 11 . 1 1 121 121 CYS H H 121 8.450 8.450 8.224 0.226 19773 2826 1 11 . 1 1 124 124 SER N N 124 116.031 116.031 117.009 -0.978 19773 2827 1 11 . 1 1 124 124 SER HA H 124 4.311 4.311 4.382 -0.071 19773 2828 1 11 . 1 1 124 124 SER CA C 124 58.360 58.360 58.368 -0.008 19773 2829 1 11 . 1 1 124 124 SER CB C 124 63.486 63.486 63.984 -0.498 19773 2830 1 11 . 1 1 124 124 SER H H 124 8.587 8.587 8.327 0.260 19773 2831 1 11 . 1 1 125 125 ASP N N 125 122.514 122.514 125.351 -2.837 19773 2832 1 11 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.687 -0.132 19773 2833 1 11 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.020 -0.004 19773 2834 1 11 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.467 -0.603 19773 2835 1 11 . 1 1 125 125 ASP H H 125 8.424 8.424 8.450 -0.026 19773 2836 1 11 . 1 1 126 126 ALA N N 126 124.858 124.858 127.529 -2.671 19773 2837 1 11 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.101 0.122 19773 2838 1 11 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.249 -1.494 19773 2839 1 11 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.974 -0.279 19773 2840 1 11 . 1 1 126 126 ALA H H 126 8.398 8.398 8.616 -0.218 19773 2841 1 11 . 1 1 127 127 SER N N 127 114.781 114.781 114.093 0.688 19773 2842 1 11 . 1 1 127 127 SER HA H 127 4.296 4.296 4.346 -0.050 19773 2843 1 11 . 1 1 127 127 SER CA C 127 58.476 58.476 58.686 -0.210 19773 2844 1 11 . 1 1 127 127 SER CB C 127 63.408 63.408 63.576 -0.168 19773 2845 1 11 . 1 1 127 127 SER H H 127 8.398 8.398 7.952 0.446 19773 2846 1 11 . 1 1 128 128 ALA N N 128 125.639 125.639 122.438 3.201 19773 2847 1 11 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.034 0.252 19773 2848 1 11 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.149 -0.737 19773 2849 1 11 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.356 1.644 19773 2850 1 11 . 1 1 128 128 ALA H H 128 8.261 8.261 7.439 0.822 19773 2851 1 11 . 1 1 129 129 THR N N 129 113.687 113.687 117.139 -3.452 19773 2852 1 11 . 1 1 129 129 THR HA H 129 4.223 4.223 4.352 -0.129 19773 2853 1 11 . 1 1 129 129 THR CA C 129 61.793 61.793 62.739 -0.946 19773 2854 1 11 . 1 1 129 129 THR CB C 129 69.378 69.378 69.616 -0.238 19773 2855 1 11 . 1 1 129 129 THR H H 129 8.196 8.196 7.671 0.525 19773 2856 1 11 . 1 1 130 130 ARG N N 130 124.467 124.467 125.161 -0.694 19773 2857 1 11 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.351 0.022 19773 2858 1 11 . 1 1 130 130 ARG CA C 130 55.568 55.568 55.921 -0.353 19773 2859 1 11 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.728 -0.081 19773 2860 1 11 . 1 1 130 130 ARG H H 130 8.450 8.450 8.396 0.054 19773 2861 1 12 . 1 1 -2 -2 LEU N N -2 122.671 122.671 124.695 -2.024 19773 2862 1 12 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.036 0.242 19773 2863 1 12 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.755 -0.470 19773 2864 1 12 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.482 0.356 19773 2865 1 12 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.078 0.620 19773 2866 1 12 . 1 1 -1 -1 GLY N N -1 109.817 109.817 111.487 -1.670 19773 2867 1 12 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.572 0.526 19773 2868 1 12 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.179 0.356 19773 2869 1 12 . 1 1 75 75 LYS N N 75 122.983 122.983 119.461 3.522 19773 2870 1 12 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.287 -0.071 19773 2871 1 12 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.590 -0.219 19773 2872 1 12 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.596 -1.108 19773 2873 1 12 . 1 1 75 75 LYS H H 75 8.411 8.411 7.855 0.556 19773 2874 1 12 . 1 1 76 76 ILE N N 76 122.749 122.749 121.419 1.330 19773 2875 1 12 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.027 0.032 19773 2876 1 12 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.217 -0.036 19773 2877 1 12 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.227 0.144 19773 2878 1 12 . 1 1 76 76 ILE H H 76 8.242 8.242 7.377 0.865 19773 2879 1 12 . 1 1 77 77 ALA N N 77 127.358 127.358 130.511 -3.153 19773 2880 1 12 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.506 -0.323 19773 2881 1 12 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.567 1.042 19773 2882 1 12 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.971 -1.159 19773 2883 1 12 . 1 1 77 77 ALA H H 77 8.463 8.463 8.285 0.178 19773 2884 1 12 . 1 1 78 78 GLN N N 78 119.077 119.077 120.040 -0.963 19773 2885 1 12 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.317 -0.103 19773 2886 1 12 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.849 -0.253 19773 2887 1 12 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.308 -0.292 19773 2888 1 12 . 1 1 78 78 GLN H H 78 8.359 8.359 8.354 0.005 19773 2889 1 12 . 1 1 79 79 MET N N 79 121.781 121.781 122.971 -1.190 19773 2890 1 12 . 1 1 79 79 MET HA H 79 4.450 4.450 4.842 -0.392 19773 2891 1 12 . 1 1 79 79 MET CA C 79 55.906 55.906 55.384 0.522 19773 2892 1 12 . 1 1 79 79 MET CB C 79 34.019 34.019 33.257 0.762 19773 2893 1 12 . 1 1 79 79 MET H H 79 8.360 8.360 8.176 0.184 19773 2894 1 12 . 1 1 83 83 GLU N N 83 120.249 120.249 121.152 -0.903 19773 2895 1 12 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.032 0.024 19773 2896 1 12 . 1 1 83 83 GLU CA C 83 58.801 58.801 59.282 -0.481 19773 2897 1 12 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.736 -0.421 19773 2898 1 12 . 1 1 83 83 GLU H H 83 8.776 8.776 8.723 0.053 19773 2899 1 12 . 1 1 84 84 GLN N N 84 119.958 119.958 119.256 0.702 19773 2900 1 12 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.071 -0.086 19773 2901 1 12 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.611 -0.703 19773 2902 1 12 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.793 -0.403 19773 2903 1 12 . 1 1 84 84 GLN H H 84 8.037 8.037 7.659 0.378 19773 2904 1 12 . 1 1 85 85 PHE N N 85 121.733 121.733 121.056 0.677 19773 2905 1 12 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.179 0.126 19773 2906 1 12 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.176 -0.920 19773 2907 1 12 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.110 -0.394 19773 2908 1 12 . 1 1 85 85 PHE H H 85 8.652 8.652 8.567 0.085 19773 2909 1 12 . 1 1 86 86 ALA N N 86 121.811 121.811 121.896 -0.085 19773 2910 1 12 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.889 0.163 19773 2911 1 12 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.115 -0.800 19773 2912 1 12 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.430 -0.356 19773 2913 1 12 . 1 1 86 86 ALA H H 86 8.209 8.209 8.186 0.023 19773 2914 1 12 . 1 1 87 87 LEU N N 87 119.780 119.780 120.122 -0.342 19773 2915 1 12 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.973 0.164 19773 2916 1 12 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.307 -0.481 19773 2917 1 12 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.393 0.212 19773 2918 1 12 . 1 1 87 87 LEU H H 87 7.877 7.877 7.892 -0.015 19773 2919 1 12 . 1 1 88 88 ALA N N 88 122.593 122.593 121.615 0.978 19773 2920 1 12 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.966 0.086 19773 2921 1 12 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.830 -0.809 19773 2922 1 12 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.141 -0.373 19773 2923 1 12 . 1 1 88 88 ALA H H 88 8.020 8.020 8.045 -0.025 19773 2924 1 12 . 1 1 89 89 LEU N N 89 120.028 120.028 118.501 1.527 19773 2925 1 12 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.781 0.271 19773 2926 1 12 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.340 -0.838 19773 2927 1 12 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.368 0.170 19773 2928 1 12 . 1 1 89 89 LEU H H 89 8.021 8.021 7.513 0.508 19773 2929 1 12 . 1 1 90 90 LYS N N 90 120.483 120.483 120.274 0.209 19773 2930 1 12 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.983 0.165 19773 2931 1 12 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.288 -1.731 19773 2932 1 12 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.430 -0.215 19773 2933 1 12 . 1 1 90 90 LYS H H 90 7.896 7.896 7.781 0.115 19773 2934 1 12 . 1 1 91 91 MET N N 91 119.156 119.156 118.823 0.333 19773 2935 1 12 . 1 1 91 91 MET HA H 91 4.291 4.291 4.308 -0.017 19773 2936 1 12 . 1 1 91 91 MET CA C 91 56.541 56.541 59.108 -2.567 19773 2937 1 12 . 1 1 91 91 MET H H 91 8.320 8.320 8.446 -0.126 19773 2938 1 12 . 1 1 92 92 SER N N 92 116.382 116.382 116.110 0.272 19773 2939 1 12 . 1 1 92 92 SER HA H 92 4.291 4.291 4.318 -0.027 19773 2940 1 12 . 1 1 92 92 SER CA C 92 59.584 59.584 62.211 -2.627 19773 2941 1 12 . 1 1 92 92 SER CB C 92 63.074 63.074 62.920 0.154 19773 2942 1 12 . 1 1 92 92 SER H H 92 8.297 8.297 7.830 0.467 19773 2943 1 12 . 1 1 93 93 GLU N N 93 122.202 122.202 121.183 1.019 19773 2944 1 12 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.986 0.149 19773 2945 1 12 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.241 -1.733 19773 2946 1 12 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.411 0.202 19773 2947 1 12 . 1 1 93 93 GLU H H 93 8.313 8.313 7.721 0.592 19773 2948 1 12 . 1 1 94 94 GLN N N 94 119.546 119.546 119.134 0.412 19773 2949 1 12 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.125 0.010 19773 2950 1 12 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.478 -1.601 19773 2951 1 12 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.764 0.062 19773 2952 1 12 . 1 1 94 94 GLN H H 94 8.177 8.177 8.012 0.165 19773 2953 1 12 . 1 1 95 95 GLU N N 95 121.030 121.030 116.972 4.058 19773 2954 1 12 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.200 -0.134 19773 2955 1 12 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.774 0.387 19773 2956 1 12 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.769 0.137 19773 2957 1 12 . 1 1 95 95 GLU H H 95 8.281 8.281 7.739 0.542 19773 2958 1 12 . 1 1 96 96 ALA N N 96 123.530 123.530 119.706 3.824 19773 2959 1 12 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.064 0.119 19773 2960 1 12 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.644 0.115 19773 2961 1 12 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.103 1.302 19773 2962 1 12 . 1 1 96 96 ALA H H 96 8.242 8.242 7.609 0.633 19773 2963 1 12 . 1 1 97 97 ARG N N 97 119.624 119.624 119.014 0.610 19773 2964 1 12 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.007 0.202 19773 2965 1 12 . 1 1 97 97 ARG CA C 97 56.469 56.469 58.491 -2.022 19773 2966 1 12 . 1 1 97 97 ARG CB C 97 30.641 30.641 30.655 -0.014 19773 2967 1 12 . 1 1 97 97 ARG H H 97 8.131 8.131 7.827 0.304 19773 2968 1 12 . 1 1 98 98 GLU N N 98 121.837 121.837 114.252 7.585 19773 2969 1 12 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.321 -0.143 19773 2970 1 12 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.084 0.447 19773 2971 1 12 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.597 -0.932 19773 2972 1 12 . 1 1 98 98 GLU H H 98 8.374 8.374 8.427 -0.053 19773 2973 1 12 . 1 1 99 99 VAL N N 99 121.265 121.265 120.035 1.230 19773 2974 1 12 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.097 -0.123 19773 2975 1 12 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.420 1.083 19773 2976 1 12 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.404 0.053 19773 2977 1 12 . 1 1 99 99 VAL H H 99 8.261 8.261 7.872 0.389 19773 2978 1 12 . 1 1 100 100 ASN N N 100 122.280 122.280 121.822 0.458 19773 2979 1 12 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.767 -0.049 19773 2980 1 12 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.390 -0.273 19773 2981 1 12 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.685 -0.917 19773 2982 1 12 . 1 1 100 100 ASN H H 100 8.639 8.639 8.440 0.199 19773 2983 1 12 . 1 1 101 101 SER N N 101 117.046 117.046 120.392 -3.346 19773 2984 1 12 . 1 1 101 101 SER HA H 101 4.349 4.349 4.334 0.015 19773 2985 1 12 . 1 1 101 101 SER CA C 101 58.970 58.970 61.546 -2.576 19773 2986 1 12 . 1 1 101 101 SER CB C 101 63.397 63.397 62.754 0.643 19773 2987 1 12 . 1 1 101 101 SER H H 101 8.542 8.542 8.875 -0.333 19773 2988 1 12 . 1 1 102 102 GLN N N 102 122.514 122.514 120.402 2.112 19773 2989 1 12 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.090 0.113 19773 2990 1 12 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.974 -1.804 19773 2991 1 12 . 1 1 102 102 GLN CB C 102 28.389 28.389 27.830 0.559 19773 2992 1 12 . 1 1 102 102 GLN H H 102 8.594 8.594 8.604 -0.010 19773 2993 1 12 . 1 1 103 103 GLU N N 103 120.874 120.874 120.322 0.552 19773 2994 1 12 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.054 0.039 19773 2995 1 12 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.268 -1.275 19773 2996 1 12 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.407 0.083 19773 2997 1 12 . 1 1 103 103 GLU H H 103 8.496 8.496 7.851 0.645 19773 2998 1 12 . 1 1 104 104 GLU N N 104 120.874 120.874 119.861 1.013 19773 2999 1 12 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.026 0.096 19773 3000 1 12 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.208 -1.361 19773 3001 1 12 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.520 0.123 19773 3002 1 12 . 1 1 104 104 GLU H H 104 8.379 8.379 7.731 0.648 19773 3003 1 12 . 1 1 105 105 GLU N N 105 121.421 121.421 119.933 1.488 19773 3004 1 12 . 1 1 105 105 GLU HA H 105 4.121 4.121 3.986 0.135 19773 3005 1 12 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.523 -1.441 19773 3006 1 12 . 1 1 105 105 GLU H H 105 8.437 8.437 7.727 0.710 19773 3007 1 12 . 1 1 106 106 GLU N N 106 120.640 120.640 118.297 2.343 19773 3008 1 12 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.056 -0.052 19773 3009 1 12 . 1 1 106 106 GLU CA C 106 58.675 58.675 58.990 -0.315 19773 3010 1 12 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.262 0.059 19773 3011 1 12 . 1 1 106 106 GLU H H 106 8.463 8.463 7.664 0.799 19773 3012 1 12 . 1 1 107 107 GLU N N 107 120.249 120.249 120.532 -0.283 19773 3013 1 12 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.939 0.106 19773 3014 1 12 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.612 -0.610 19773 3015 1 12 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.561 -0.524 19773 3016 1 12 . 1 1 107 107 GLU H H 107 8.385 8.385 8.220 0.165 19773 3017 1 12 . 1 1 108 108 GLU N N 108 120.902 120.902 118.921 1.981 19773 3018 1 12 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.067 0.061 19773 3019 1 12 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.163 -0.761 19773 3020 1 12 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.258 -0.438 19773 3021 1 12 . 1 1 108 108 GLU H H 108 8.125 8.125 7.921 0.204 19773 3022 1 12 . 1 1 109 109 LEU N N 109 120.327 120.327 119.926 0.401 19773 3023 1 12 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.026 -0.032 19773 3024 1 12 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.519 -0.059 19773 3025 1 12 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.745 -0.259 19773 3026 1 12 . 1 1 109 109 LEU H H 109 8.085 8.085 7.340 0.745 19773 3027 1 12 . 1 1 110 110 LEU N N 110 121.108 121.108 120.182 0.926 19773 3028 1 12 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.966 0.189 19773 3029 1 12 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.028 -0.831 19773 3030 1 12 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.652 -0.180 19773 3031 1 12 . 1 1 110 110 LEU H H 110 7.948 7.948 7.710 0.238 19773 3032 1 12 . 1 1 111 111 ARG N N 111 119.390 119.390 118.532 0.858 19773 3033 1 12 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.896 0.006 19773 3034 1 12 . 1 1 111 111 ARG CA C 111 59.013 59.013 60.088 -1.075 19773 3035 1 12 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.836 0.129 19773 3036 1 12 . 1 1 111 111 ARG H H 111 8.111 8.111 8.184 -0.073 19773 3037 1 12 . 1 1 112 112 LYS N N 112 120.418 120.418 120.543 -0.125 19773 3038 1 12 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.006 0.053 19773 3039 1 12 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.548 -0.833 19773 3040 1 12 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.313 0.130 19773 3041 1 12 . 1 1 112 112 LYS H H 112 8.273 8.273 7.850 0.423 19773 3042 1 12 . 1 1 113 113 ALA N N 113 122.758 122.758 122.199 0.559 19773 3043 1 12 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.124 0.045 19773 3044 1 12 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.886 -0.593 19773 3045 1 12 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.491 -0.439 19773 3046 1 12 . 1 1 113 113 ALA H H 113 7.978 7.978 7.572 0.406 19773 3047 1 12 . 1 1 114 114 ILE N N 114 120.171 120.171 119.392 0.779 19773 3048 1 12 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.736 0.030 19773 3049 1 12 . 1 1 114 114 ILE CA C 114 63.420 63.420 64.974 -1.554 19773 3050 1 12 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.913 0.165 19773 3051 1 12 . 1 1 114 114 ILE H H 114 8.229 8.229 7.995 0.234 19773 3052 1 12 . 1 1 115 115 ALA N N 115 123.999 123.999 122.335 1.664 19773 3053 1 12 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.891 0.216 19773 3054 1 12 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.713 -1.392 19773 3055 1 12 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.975 0.079 19773 3056 1 12 . 1 1 115 115 ALA H H 115 8.072 8.072 8.679 -0.607 19773 3057 1 12 . 1 1 116 116 GLU N N 116 118.140 118.140 118.680 -0.540 19773 3058 1 12 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.972 0.148 19773 3059 1 12 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.466 -1.690 19773 3060 1 12 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.654 -0.343 19773 3061 1 12 . 1 1 116 116 GLU H H 116 8.313 8.313 8.338 -0.025 19773 3062 1 12 . 1 1 117 117 SER N N 117 115.640 115.640 114.099 1.541 19773 3063 1 12 . 1 1 117 117 SER HA H 117 4.291 4.291 4.203 0.088 19773 3064 1 12 . 1 1 117 117 SER CA C 117 59.647 59.647 60.926 -1.279 19773 3065 1 12 . 1 1 117 117 SER CB C 117 63.022 63.022 63.509 -0.487 19773 3066 1 12 . 1 1 117 117 SER H H 117 8.040 8.040 7.711 0.329 19773 3067 1 12 . 1 1 118 118 LEU N N 118 122.593 122.593 119.672 2.921 19773 3068 1 12 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.220 0.004 19773 3069 1 12 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.775 -0.900 19773 3070 1 12 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.158 -0.364 19773 3071 1 12 . 1 1 118 118 LEU H H 118 7.968 7.968 7.887 0.081 19773 3072 1 12 . 1 1 119 119 ASN N N 119 117.828 117.828 115.469 2.359 19773 3073 1 12 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.646 -0.012 19773 3074 1 12 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.035 -0.502 19773 3075 1 12 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.697 -0.152 19773 3076 1 12 . 1 1 119 119 ASN H H 119 8.183 8.183 8.337 -0.154 19773 3077 1 12 . 1 1 120 120 SER N N 120 115.484 115.484 115.882 -0.398 19773 3078 1 12 . 1 1 120 120 SER HA H 120 4.332 4.332 4.419 -0.087 19773 3079 1 12 . 1 1 120 120 SER CA C 120 58.417 58.417 58.678 -0.261 19773 3080 1 12 . 1 1 120 120 SER CB C 120 63.386 63.386 64.130 -0.744 19773 3081 1 12 . 1 1 120 120 SER H H 120 8.183 8.183 7.631 0.552 19773 3082 1 12 . 1 1 121 121 CYS N N 121 123.139 123.139 122.741 0.398 19773 3083 1 12 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.377 -2.478 19773 3084 1 12 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.515 2.049 19773 3085 1 12 . 1 1 121 121 CYS H H 121 8.450 8.450 8.270 0.180 19773 3086 1 12 . 1 1 124 124 SER N N 124 116.031 116.031 116.789 -0.758 19773 3087 1 12 . 1 1 124 124 SER HA H 124 4.311 4.311 4.322 -0.011 19773 3088 1 12 . 1 1 124 124 SER CA C 124 58.360 58.360 57.996 0.364 19773 3089 1 12 . 1 1 124 124 SER CB C 124 63.486 63.486 64.093 -0.607 19773 3090 1 12 . 1 1 124 124 SER H H 124 8.587 8.587 8.145 0.442 19773 3091 1 12 . 1 1 125 125 ASP N N 125 122.514 122.514 121.449 1.065 19773 3092 1 12 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.544 0.011 19773 3093 1 12 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.393 -0.377 19773 3094 1 12 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.149 -1.285 19773 3095 1 12 . 1 1 125 125 ASP H H 125 8.424 8.424 8.118 0.306 19773 3096 1 12 . 1 1 126 126 ALA N N 126 124.858 124.858 127.795 -2.937 19773 3097 1 12 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.141 0.082 19773 3098 1 12 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.109 -1.354 19773 3099 1 12 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.962 -0.267 19773 3100 1 12 . 1 1 126 126 ALA H H 126 8.398 8.398 8.680 -0.282 19773 3101 1 12 . 1 1 127 127 SER N N 127 114.781 114.781 113.613 1.168 19773 3102 1 12 . 1 1 127 127 SER HA H 127 4.296 4.296 4.420 -0.124 19773 3103 1 12 . 1 1 127 127 SER CA C 127 58.476 58.476 58.857 -0.381 19773 3104 1 12 . 1 1 127 127 SER CB C 127 63.408 63.408 63.851 -0.443 19773 3105 1 12 . 1 1 127 127 SER H H 127 8.398 8.398 8.145 0.253 19773 3106 1 12 . 1 1 128 128 ALA N N 128 125.639 125.639 121.502 4.137 19773 3107 1 12 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.056 0.230 19773 3108 1 12 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.235 -0.823 19773 3109 1 12 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.422 1.577 19773 3110 1 12 . 1 1 128 128 ALA H H 128 8.261 8.261 7.793 0.468 19773 3111 1 12 . 1 1 129 129 THR N N 129 113.687 113.687 115.497 -1.810 19773 3112 1 12 . 1 1 129 129 THR HA H 129 4.223 4.223 4.254 -0.031 19773 3113 1 12 . 1 1 129 129 THR CA C 129 61.793 61.793 61.969 -0.176 19773 3114 1 12 . 1 1 129 129 THR CB C 129 69.378 69.378 69.578 -0.200 19773 3115 1 12 . 1 1 129 129 THR H H 129 8.196 8.196 7.744 0.452 19773 3116 1 12 . 1 1 130 130 ARG N N 130 124.467 124.467 127.238 -2.771 19773 3117 1 12 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.292 0.081 19773 3118 1 12 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.484 -0.916 19773 3119 1 12 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.779 -0.132 19773 3120 1 12 . 1 1 130 130 ARG H H 130 8.450 8.450 8.745 -0.295 19773 3121 1 13 . 1 1 -2 -2 LEU N N -2 122.671 122.671 115.194 7.477 19773 3122 1 13 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.620 -0.342 19773 3123 1 13 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.632 -0.346 19773 3124 1 13 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.052 -1.214 19773 3125 1 13 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.057 0.641 19773 3126 1 13 . 1 1 -1 -1 GLY N N -1 109.817 109.817 104.879 4.938 19773 3127 1 13 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.627 0.471 19773 3128 1 13 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.620 0.915 19773 3129 1 13 . 1 1 75 75 LYS N N 75 122.983 122.983 120.036 2.947 19773 3130 1 13 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.284 -0.068 19773 3131 1 13 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.248 0.123 19773 3132 1 13 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.906 -0.418 19773 3133 1 13 . 1 1 75 75 LYS H H 75 8.411 8.411 7.777 0.634 19773 3134 1 13 . 1 1 76 76 ILE N N 76 122.749 122.749 121.514 1.235 19773 3135 1 13 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.089 -0.030 19773 3136 1 13 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.374 1.807 19773 3137 1 13 . 1 1 76 76 ILE CB C 76 38.371 38.371 36.881 1.490 19773 3138 1 13 . 1 1 76 76 ILE H H 76 8.242 8.242 7.303 0.939 19773 3139 1 13 . 1 1 77 77 ALA N N 77 127.358 127.358 131.791 -4.433 19773 3140 1 13 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.281 -0.098 19773 3141 1 13 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.513 1.096 19773 3142 1 13 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.517 -0.705 19773 3143 1 13 . 1 1 77 77 ALA H H 77 8.463 8.463 8.084 0.379 19773 3144 1 13 . 1 1 78 78 GLN N N 78 119.077 119.077 119.462 -0.385 19773 3145 1 13 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.210 0.004 19773 3146 1 13 . 1 1 78 78 GLN CA C 78 55.596 55.596 56.199 -0.603 19773 3147 1 13 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.263 -0.247 19773 3148 1 13 . 1 1 78 78 GLN H H 78 8.359 8.359 8.368 -0.009 19773 3149 1 13 . 1 1 79 79 MET N N 79 121.781 121.781 121.719 0.062 19773 3150 1 13 . 1 1 79 79 MET HA H 79 4.450 4.450 4.641 -0.191 19773 3151 1 13 . 1 1 79 79 MET CA C 79 55.906 55.906 55.585 0.321 19773 3152 1 13 . 1 1 79 79 MET CB C 79 34.019 34.019 33.060 0.959 19773 3153 1 13 . 1 1 79 79 MET H H 79 8.360 8.360 8.414 -0.054 19773 3154 1 13 . 1 1 83 83 GLU N N 83 120.249 120.249 121.217 -0.968 19773 3155 1 13 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.102 -0.046 19773 3156 1 13 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.968 -0.167 19773 3157 1 13 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.603 -0.288 19773 3158 1 13 . 1 1 83 83 GLU H H 83 8.776 8.776 8.806 -0.030 19773 3159 1 13 . 1 1 84 84 GLN N N 84 119.958 119.958 119.259 0.699 19773 3160 1 13 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.073 -0.088 19773 3161 1 13 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.556 -0.648 19773 3162 1 13 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.738 -0.348 19773 3163 1 13 . 1 1 84 84 GLN H H 84 8.037 8.037 7.581 0.456 19773 3164 1 13 . 1 1 85 85 PHE N N 85 121.733 121.733 120.863 0.870 19773 3165 1 13 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.142 0.163 19773 3166 1 13 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.070 -0.814 19773 3167 1 13 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.019 -0.303 19773 3168 1 13 . 1 1 85 85 PHE H H 85 8.652 8.652 7.999 0.653 19773 3169 1 13 . 1 1 86 86 ALA N N 86 121.811 121.811 122.025 -0.214 19773 3170 1 13 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.861 0.191 19773 3171 1 13 . 1 1 86 86 ALA CA C 86 54.315 54.315 54.955 -0.639 19773 3172 1 13 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.045 0.029 19773 3173 1 13 . 1 1 86 86 ALA H H 86 8.209 8.209 7.985 0.224 19773 3174 1 13 . 1 1 87 87 LEU N N 87 119.780 119.780 119.783 -0.003 19773 3175 1 13 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.907 0.230 19773 3176 1 13 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.755 -0.929 19773 3177 1 13 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.853 -0.248 19773 3178 1 13 . 1 1 87 87 LEU H H 87 7.877 7.877 7.930 -0.053 19773 3179 1 13 . 1 1 88 88 ALA N N 88 122.593 122.593 121.797 0.796 19773 3180 1 13 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.906 0.146 19773 3181 1 13 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.030 -1.009 19773 3182 1 13 . 1 1 88 88 ALA CB C 88 17.768 17.768 17.980 -0.212 19773 3183 1 13 . 1 1 88 88 ALA H H 88 8.020 8.020 7.810 0.210 19773 3184 1 13 . 1 1 89 89 LEU N N 89 120.028 120.028 119.193 0.835 19773 3185 1 13 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.778 0.274 19773 3186 1 13 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.198 -0.696 19773 3187 1 13 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.309 0.229 19773 3188 1 13 . 1 1 89 89 LEU H H 89 8.021 8.021 7.462 0.559 19773 3189 1 13 . 1 1 90 90 LYS N N 90 120.483 120.483 119.442 1.041 19773 3190 1 13 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.873 0.275 19773 3191 1 13 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.527 -1.970 19773 3192 1 13 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.383 -0.168 19773 3193 1 13 . 1 1 90 90 LYS H H 90 7.896 7.896 7.674 0.222 19773 3194 1 13 . 1 1 91 91 MET N N 91 119.156 119.156 117.126 2.030 19773 3195 1 13 . 1 1 91 91 MET HA H 91 4.291 4.291 4.570 -0.279 19773 3196 1 13 . 1 1 91 91 MET CA C 91 56.541 56.541 56.934 -0.393 19773 3197 1 13 . 1 1 91 91 MET H H 91 8.320 8.320 8.036 0.284 19773 3198 1 13 . 1 1 92 92 SER N N 92 116.382 116.382 114.989 1.393 19773 3199 1 13 . 1 1 92 92 SER HA H 92 4.291 4.291 4.335 -0.044 19773 3200 1 13 . 1 1 92 92 SER CA C 92 59.584 59.584 61.366 -1.782 19773 3201 1 13 . 1 1 92 92 SER CB C 92 63.074 63.074 62.017 1.057 19773 3202 1 13 . 1 1 92 92 SER H H 92 8.297 8.297 8.119 0.178 19773 3203 1 13 . 1 1 93 93 GLU N N 93 122.202 122.202 121.115 1.087 19773 3204 1 13 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.040 0.095 19773 3205 1 13 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.161 -1.653 19773 3206 1 13 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.108 0.505 19773 3207 1 13 . 1 1 93 93 GLU H H 93 8.313 8.313 7.761 0.552 19773 3208 1 13 . 1 1 94 94 GLN N N 94 119.546 119.546 118.305 1.241 19773 3209 1 13 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.149 -0.014 19773 3210 1 13 . 1 1 94 94 GLN CA C 94 56.877 56.877 57.716 -0.839 19773 3211 1 13 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.540 0.286 19773 3212 1 13 . 1 1 94 94 GLN H H 94 8.177 8.177 7.583 0.594 19773 3213 1 13 . 1 1 95 95 GLU N N 95 121.030 121.030 117.064 3.966 19773 3214 1 13 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.219 -0.153 19773 3215 1 13 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.647 0.514 19773 3216 1 13 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.793 0.113 19773 3217 1 13 . 1 1 95 95 GLU H H 95 8.281 8.281 7.624 0.657 19773 3218 1 13 . 1 1 96 96 ALA N N 96 123.530 123.530 119.271 4.259 19773 3219 1 13 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.000 0.183 19773 3220 1 13 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.956 -0.197 19773 3221 1 13 . 1 1 96 96 ALA CB C 96 18.405 18.405 16.889 1.516 19773 3222 1 13 . 1 1 96 96 ALA H H 96 8.242 8.242 7.452 0.790 19773 3223 1 13 . 1 1 97 97 ARG N N 97 119.624 119.624 119.494 0.130 19773 3224 1 13 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.142 0.067 19773 3225 1 13 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.784 -1.315 19773 3226 1 13 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.161 -0.520 19773 3227 1 13 . 1 1 97 97 ARG H H 97 8.131 8.131 7.816 0.315 19773 3228 1 13 . 1 1 98 98 GLU N N 98 121.837 121.837 118.583 3.254 19773 3229 1 13 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.171 0.006 19773 3230 1 13 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.825 -0.294 19773 3231 1 13 . 1 1 98 98 GLU CB C 98 29.665 29.665 28.753 0.912 19773 3232 1 13 . 1 1 98 98 GLU H H 98 8.374 8.374 8.512 -0.138 19773 3233 1 13 . 1 1 99 99 VAL N N 99 121.265 121.265 119.246 2.019 19773 3234 1 13 . 1 1 99 99 VAL HA H 99 3.974 3.974 3.860 0.114 19773 3235 1 13 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.556 -0.053 19773 3236 1 13 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.422 0.035 19773 3237 1 13 . 1 1 99 99 VAL H H 99 8.261 8.261 7.732 0.529 19773 3238 1 13 . 1 1 100 100 ASN N N 100 122.280 122.280 121.829 0.451 19773 3239 1 13 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.689 0.029 19773 3240 1 13 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.938 -0.821 19773 3241 1 13 . 1 1 100 100 ASN CB C 100 38.768 38.768 38.820 -0.052 19773 3242 1 13 . 1 1 100 100 ASN H H 100 8.639 8.639 8.513 0.126 19773 3243 1 13 . 1 1 101 101 SER N N 101 117.046 117.046 120.824 -3.778 19773 3244 1 13 . 1 1 101 101 SER HA H 101 4.349 4.349 4.002 0.347 19773 3245 1 13 . 1 1 101 101 SER CA C 101 58.970 58.970 61.180 -2.210 19773 3246 1 13 . 1 1 101 101 SER CB C 101 63.397 63.397 63.007 0.390 19773 3247 1 13 . 1 1 101 101 SER H H 101 8.542 8.542 8.927 -0.385 19773 3248 1 13 . 1 1 102 102 GLN N N 102 122.514 122.514 122.852 -0.338 19773 3249 1 13 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.247 -0.044 19773 3250 1 13 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.804 -1.634 19773 3251 1 13 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.381 0.008 19773 3252 1 13 . 1 1 102 102 GLN H H 102 8.594 8.594 8.527 0.067 19773 3253 1 13 . 1 1 103 103 GLU N N 103 120.874 120.874 120.140 0.734 19773 3254 1 13 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.011 0.082 19773 3255 1 13 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.635 -1.642 19773 3256 1 13 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.452 0.037 19773 3257 1 13 . 1 1 103 103 GLU H H 103 8.496 8.496 8.108 0.388 19773 3258 1 13 . 1 1 104 104 GLU N N 104 120.874 120.874 119.057 1.817 19773 3259 1 13 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.049 0.073 19773 3260 1 13 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.188 -1.341 19773 3261 1 13 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.569 0.074 19773 3262 1 13 . 1 1 104 104 GLU H H 104 8.379 8.379 7.724 0.655 19773 3263 1 13 . 1 1 105 105 GLU N N 105 121.421 121.421 119.791 1.630 19773 3264 1 13 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.053 0.068 19773 3265 1 13 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.128 -1.046 19773 3266 1 13 . 1 1 105 105 GLU H H 105 8.437 8.437 7.788 0.649 19773 3267 1 13 . 1 1 106 106 GLU N N 106 120.640 120.640 120.278 0.362 19773 3268 1 13 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.965 0.039 19773 3269 1 13 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.581 -0.906 19773 3270 1 13 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.657 -0.336 19773 3271 1 13 . 1 1 106 106 GLU H H 106 8.463 8.463 8.405 0.058 19773 3272 1 13 . 1 1 107 107 GLU N N 107 120.249 120.249 119.281 0.968 19773 3273 1 13 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.026 0.019 19773 3274 1 13 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.107 -0.105 19773 3275 1 13 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.458 -0.422 19773 3276 1 13 . 1 1 107 107 GLU H H 107 8.385 8.385 7.721 0.664 19773 3277 1 13 . 1 1 108 108 GLU N N 108 120.902 120.902 120.177 0.725 19773 3278 1 13 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.072 0.056 19773 3279 1 13 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.254 -0.852 19773 3280 1 13 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.582 -0.763 19773 3281 1 13 . 1 1 108 108 GLU H H 108 8.125 8.125 7.612 0.513 19773 3282 1 13 . 1 1 109 109 LEU N N 109 120.327 120.327 120.098 0.229 19773 3283 1 13 . 1 1 109 109 LEU HA H 109 3.994 3.994 3.984 0.010 19773 3284 1 13 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.763 -0.303 19773 3285 1 13 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.850 -0.365 19773 3286 1 13 . 1 1 109 109 LEU H H 109 8.085 8.085 8.358 -0.273 19773 3287 1 13 . 1 1 110 110 LEU N N 110 121.108 121.108 119.470 1.638 19773 3288 1 13 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.928 0.227 19773 3289 1 13 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.438 -1.241 19773 3290 1 13 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.384 0.088 19773 3291 1 13 . 1 1 110 110 LEU H H 110 7.948 7.948 7.843 0.105 19773 3292 1 13 . 1 1 111 111 ARG N N 111 119.390 119.390 119.077 0.313 19773 3293 1 13 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.894 0.008 19773 3294 1 13 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.681 -0.668 19773 3295 1 13 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.051 -0.086 19773 3296 1 13 . 1 1 111 111 ARG H H 111 8.111 8.111 7.868 0.243 19773 3297 1 13 . 1 1 112 112 LYS N N 112 120.418 120.418 119.577 0.841 19773 3298 1 13 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.026 0.033 19773 3299 1 13 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.327 -0.612 19773 3300 1 13 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.383 0.060 19773 3301 1 13 . 1 1 112 112 LYS H H 112 8.273 8.273 7.915 0.358 19773 3302 1 13 . 1 1 113 113 ALA N N 113 122.758 122.758 122.223 0.535 19773 3303 1 13 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.045 0.124 19773 3304 1 13 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.207 -0.914 19773 3305 1 13 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.280 -0.227 19773 3306 1 13 . 1 1 113 113 ALA H H 113 7.978 7.978 7.819 0.159 19773 3307 1 13 . 1 1 114 114 ILE N N 114 120.171 120.171 118.912 1.259 19773 3308 1 13 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.686 0.080 19773 3309 1 13 . 1 1 114 114 ILE CA C 114 63.420 63.420 62.966 0.454 19773 3310 1 13 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.331 1.747 19773 3311 1 13 . 1 1 114 114 ILE H H 114 8.229 8.229 7.576 0.653 19773 3312 1 13 . 1 1 115 115 ALA N N 115 123.999 123.999 122.111 1.888 19773 3313 1 13 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.981 0.126 19773 3314 1 13 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.520 -1.199 19773 3315 1 13 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.980 0.074 19773 3316 1 13 . 1 1 115 115 ALA H H 115 8.072 8.072 7.813 0.259 19773 3317 1 13 . 1 1 116 116 GLU N N 116 118.140 118.140 119.109 -0.969 19773 3318 1 13 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.052 0.068 19773 3319 1 13 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.051 -1.275 19773 3320 1 13 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.434 -0.123 19773 3321 1 13 . 1 1 116 116 GLU H H 116 8.313 8.313 8.295 0.018 19773 3322 1 13 . 1 1 117 117 SER N N 117 115.640 115.640 115.672 -0.032 19773 3323 1 13 . 1 1 117 117 SER HA H 117 4.291 4.291 4.164 0.127 19773 3324 1 13 . 1 1 117 117 SER CA C 117 59.647 59.647 61.878 -2.231 19773 3325 1 13 . 1 1 117 117 SER CB C 117 63.022 63.022 63.131 -0.109 19773 3326 1 13 . 1 1 117 117 SER H H 117 8.040 8.040 8.031 0.009 19773 3327 1 13 . 1 1 118 118 LEU N N 118 122.593 122.593 118.933 3.660 19773 3328 1 13 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.034 0.190 19773 3329 1 13 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.022 -1.147 19773 3330 1 13 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.052 -0.258 19773 3331 1 13 . 1 1 118 118 LEU H H 118 7.968 7.968 7.638 0.330 19773 3332 1 13 . 1 1 119 119 ASN N N 119 117.828 117.828 113.726 4.102 19773 3333 1 13 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.627 0.007 19773 3334 1 13 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.325 -0.792 19773 3335 1 13 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.874 -0.329 19773 3336 1 13 . 1 1 119 119 ASN H H 119 8.183 8.183 7.589 0.594 19773 3337 1 13 . 1 1 120 120 SER N N 120 115.484 115.484 115.190 0.294 19773 3338 1 13 . 1 1 120 120 SER HA H 120 4.332 4.332 4.388 -0.056 19773 3339 1 13 . 1 1 120 120 SER CA C 120 58.417 58.417 58.098 0.319 19773 3340 1 13 . 1 1 120 120 SER CB C 120 63.386 63.386 64.302 -0.916 19773 3341 1 13 . 1 1 120 120 SER H H 120 8.183 8.183 7.255 0.928 19773 3342 1 13 . 1 1 121 121 CYS N N 121 123.139 123.139 123.084 0.055 19773 3343 1 13 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.480 -3.582 19773 3344 1 13 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.896 1.668 19773 3345 1 13 . 1 1 121 121 CYS H H 121 8.450 8.450 8.343 0.107 19773 3346 1 13 . 1 1 124 124 SER N N 124 116.031 116.031 116.243 -0.212 19773 3347 1 13 . 1 1 124 124 SER HA H 124 4.311 4.311 4.375 -0.064 19773 3348 1 13 . 1 1 124 124 SER CA C 124 58.360 58.360 58.444 -0.083 19773 3349 1 13 . 1 1 124 124 SER CB C 124 63.486 63.486 63.555 -0.069 19773 3350 1 13 . 1 1 124 124 SER H H 124 8.587 8.587 8.242 0.345 19773 3351 1 13 . 1 1 125 125 ASP N N 125 122.514 122.514 122.931 -0.417 19773 3352 1 13 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.586 -0.031 19773 3353 1 13 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.760 0.256 19773 3354 1 13 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.308 -1.444 19773 3355 1 13 . 1 1 125 125 ASP H H 125 8.424 8.424 8.385 0.039 19773 3356 1 13 . 1 1 126 126 ALA N N 126 124.858 124.858 127.402 -2.544 19773 3357 1 13 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.168 0.055 19773 3358 1 13 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.303 -1.548 19773 3359 1 13 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.990 -0.295 19773 3360 1 13 . 1 1 126 126 ALA H H 126 8.398 8.398 8.602 -0.204 19773 3361 1 13 . 1 1 127 127 SER N N 127 114.781 114.781 113.140 1.641 19773 3362 1 13 . 1 1 127 127 SER HA H 127 4.296 4.296 4.449 -0.153 19773 3363 1 13 . 1 1 127 127 SER CA C 127 58.476 58.476 58.716 -0.240 19773 3364 1 13 . 1 1 127 127 SER CB C 127 63.408 63.408 64.175 -0.767 19773 3365 1 13 . 1 1 127 127 SER H H 127 8.398 8.398 8.433 -0.035 19773 3366 1 13 . 1 1 128 128 ALA N N 128 125.639 125.639 120.745 4.894 19773 3367 1 13 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.067 0.219 19773 3368 1 13 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.382 -0.970 19773 3369 1 13 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.383 1.617 19773 3370 1 13 . 1 1 128 128 ALA H H 128 8.261 8.261 7.546 0.715 19773 3371 1 13 . 1 1 129 129 THR N N 129 113.687 113.687 110.224 3.463 19773 3372 1 13 . 1 1 129 129 THR HA H 129 4.223 4.223 4.329 -0.106 19773 3373 1 13 . 1 1 129 129 THR CA C 129 61.793 61.793 60.874 0.919 19773 3374 1 13 . 1 1 129 129 THR CB C 129 69.378 69.378 69.945 -0.567 19773 3375 1 13 . 1 1 129 129 THR H H 129 8.196 8.196 7.651 0.545 19773 3376 1 13 . 1 1 130 130 ARG N N 130 124.467 124.467 123.436 1.031 19773 3377 1 13 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.382 -0.009 19773 3378 1 13 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.053 -0.485 19773 3379 1 13 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.670 -0.023 19773 3380 1 13 . 1 1 130 130 ARG H H 130 8.450 8.450 8.422 0.028 19773 3381 1 14 . 1 1 -2 -2 LEU N N -2 122.671 122.671 119.723 2.948 19773 3382 1 14 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 3.928 0.350 19773 3383 1 14 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.979 -0.694 19773 3384 1 14 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.361 0.477 19773 3385 1 14 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.668 1.030 19773 3386 1 14 . 1 1 -1 -1 GLY N N -1 109.817 109.817 106.709 3.108 19773 3387 1 14 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.312 0.786 19773 3388 1 14 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.167 0.368 19773 3389 1 14 . 1 1 75 75 LYS N N 75 122.983 122.983 118.957 4.026 19773 3390 1 14 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.311 -0.095 19773 3391 1 14 . 1 1 75 75 LYS CA C 75 56.371 56.371 55.769 0.602 19773 3392 1 14 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.981 -0.493 19773 3393 1 14 . 1 1 75 75 LYS H H 75 8.411 8.411 7.887 0.524 19773 3394 1 14 . 1 1 76 76 ILE N N 76 122.749 122.749 121.583 1.166 19773 3395 1 14 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.098 -0.039 19773 3396 1 14 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.066 2.115 19773 3397 1 14 . 1 1 76 76 ILE CB C 76 38.371 38.371 37.185 1.186 19773 3398 1 14 . 1 1 76 76 ILE H H 76 8.242 8.242 7.377 0.865 19773 3399 1 14 . 1 1 77 77 ALA N N 77 127.358 127.358 131.641 -4.283 19773 3400 1 14 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.310 -0.127 19773 3401 1 14 . 1 1 77 77 ALA CA C 77 52.609 52.609 52.232 0.377 19773 3402 1 14 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.426 -0.614 19773 3403 1 14 . 1 1 77 77 ALA H H 77 8.463 8.463 8.345 0.118 19773 3404 1 14 . 1 1 78 78 GLN N N 78 119.077 119.077 122.342 -3.265 19773 3405 1 14 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.422 -0.208 19773 3406 1 14 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.270 0.326 19773 3407 1 14 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.958 -0.942 19773 3408 1 14 . 1 1 78 78 GLN H H 78 8.359 8.359 8.469 -0.110 19773 3409 1 14 . 1 1 79 79 MET N N 79 121.781 121.781 121.937 -0.156 19773 3410 1 14 . 1 1 79 79 MET HA H 79 4.450 4.450 4.668 -0.218 19773 3411 1 14 . 1 1 79 79 MET CA C 79 55.906 55.906 55.436 0.470 19773 3412 1 14 . 1 1 79 79 MET CB C 79 34.019 34.019 33.252 0.767 19773 3413 1 14 . 1 1 79 79 MET H H 79 8.360 8.360 8.315 0.045 19773 3414 1 14 . 1 1 83 83 GLU N N 83 120.249 120.249 121.421 -1.172 19773 3415 1 14 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.035 0.021 19773 3416 1 14 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.944 -0.143 19773 3417 1 14 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.807 -0.492 19773 3418 1 14 . 1 1 83 83 GLU H H 83 8.776 8.776 8.586 0.190 19773 3419 1 14 . 1 1 84 84 GLN N N 84 119.958 119.958 119.584 0.374 19773 3420 1 14 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.072 -0.087 19773 3421 1 14 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.433 -0.525 19773 3422 1 14 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.321 0.069 19773 3423 1 14 . 1 1 84 84 GLN H H 84 8.037 8.037 7.736 0.301 19773 3424 1 14 . 1 1 85 85 PHE N N 85 121.733 121.733 120.816 0.917 19773 3425 1 14 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.209 0.096 19773 3426 1 14 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.172 -0.916 19773 3427 1 14 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.905 -0.189 19773 3428 1 14 . 1 1 85 85 PHE H H 85 8.652 8.652 8.436 0.216 19773 3429 1 14 . 1 1 86 86 ALA N N 86 121.811 121.811 121.953 -0.142 19773 3430 1 14 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.785 0.267 19773 3431 1 14 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.056 -0.741 19773 3432 1 14 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.482 -0.408 19773 3433 1 14 . 1 1 86 86 ALA H H 86 8.209 8.209 8.280 -0.071 19773 3434 1 14 . 1 1 87 87 LEU N N 87 119.780 119.780 120.144 -0.364 19773 3435 1 14 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.942 0.195 19773 3436 1 14 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.420 -0.594 19773 3437 1 14 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.396 0.209 19773 3438 1 14 . 1 1 87 87 LEU H H 87 7.877 7.877 8.122 -0.245 19773 3439 1 14 . 1 1 88 88 ALA N N 88 122.593 122.593 121.443 1.150 19773 3440 1 14 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.900 0.152 19773 3441 1 14 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.020 -0.999 19773 3442 1 14 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.104 -0.336 19773 3443 1 14 . 1 1 88 88 ALA H H 88 8.020 8.020 7.814 0.206 19773 3444 1 14 . 1 1 89 89 LEU N N 89 120.028 120.028 118.616 1.412 19773 3445 1 14 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.815 0.237 19773 3446 1 14 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.327 -0.825 19773 3447 1 14 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.395 0.143 19773 3448 1 14 . 1 1 89 89 LEU H H 89 8.021 8.021 7.411 0.610 19773 3449 1 14 . 1 1 90 90 LYS N N 90 120.483 120.483 119.031 1.452 19773 3450 1 14 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.888 0.260 19773 3451 1 14 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.541 -1.984 19773 3452 1 14 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.207 0.008 19773 3453 1 14 . 1 1 90 90 LYS H H 90 7.896 7.896 7.778 0.118 19773 3454 1 14 . 1 1 91 91 MET N N 91 119.156 119.156 120.597 -1.441 19773 3455 1 14 . 1 1 91 91 MET HA H 91 4.291 4.291 4.358 -0.067 19773 3456 1 14 . 1 1 91 91 MET CA C 91 56.541 56.541 58.762 -2.221 19773 3457 1 14 . 1 1 91 91 MET H H 91 8.320 8.320 8.142 0.178 19773 3458 1 14 . 1 1 92 92 SER N N 92 116.382 116.382 115.203 1.179 19773 3459 1 14 . 1 1 92 92 SER HA H 92 4.291 4.291 4.069 0.222 19773 3460 1 14 . 1 1 92 92 SER CA C 92 59.584 59.584 61.107 -1.523 19773 3461 1 14 . 1 1 92 92 SER CB C 92 63.074 63.074 62.887 0.187 19773 3462 1 14 . 1 1 92 92 SER H H 92 8.297 8.297 7.968 0.329 19773 3463 1 14 . 1 1 93 93 GLU N N 93 122.202 122.202 121.271 0.931 19773 3464 1 14 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.065 0.070 19773 3465 1 14 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.905 -1.397 19773 3466 1 14 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.144 0.469 19773 3467 1 14 . 1 1 93 93 GLU H H 93 8.313 8.313 7.773 0.540 19773 3468 1 14 . 1 1 94 94 GLN N N 94 119.546 119.546 118.307 1.239 19773 3469 1 14 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.026 0.109 19773 3470 1 14 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.552 -1.675 19773 3471 1 14 . 1 1 94 94 GLN CB C 94 28.826 28.826 29.062 -0.236 19773 3472 1 14 . 1 1 94 94 GLN H H 94 8.177 8.177 7.864 0.313 19773 3473 1 14 . 1 1 95 95 GLU N N 95 121.030 121.030 116.167 4.863 19773 3474 1 14 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.233 -0.167 19773 3475 1 14 . 1 1 95 95 GLU CA C 95 57.161 57.161 57.128 0.033 19773 3476 1 14 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.332 -0.426 19773 3477 1 14 . 1 1 95 95 GLU H H 95 8.281 8.281 7.809 0.472 19773 3478 1 14 . 1 1 96 96 ALA N N 96 123.530 123.530 120.298 3.232 19773 3479 1 14 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.939 0.244 19773 3480 1 14 . 1 1 96 96 ALA CA C 96 52.759 52.759 54.360 -1.601 19773 3481 1 14 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.730 0.675 19773 3482 1 14 . 1 1 96 96 ALA H H 96 8.242 8.242 8.363 -0.121 19773 3483 1 14 . 1 1 97 97 ARG N N 97 119.624 119.624 117.508 2.116 19773 3484 1 14 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.537 -0.328 19773 3485 1 14 . 1 1 97 97 ARG CA C 97 56.469 56.469 54.639 1.830 19773 3486 1 14 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.841 -1.200 19773 3487 1 14 . 1 1 97 97 ARG H H 97 8.131 8.131 8.106 0.025 19773 3488 1 14 . 1 1 98 98 GLU N N 98 121.837 121.837 119.284 2.553 19773 3489 1 14 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.148 0.029 19773 3490 1 14 . 1 1 98 98 GLU CA C 98 56.531 56.531 58.275 -1.744 19773 3491 1 14 . 1 1 98 98 GLU CB C 98 29.665 29.665 29.987 -0.322 19773 3492 1 14 . 1 1 98 98 GLU H H 98 8.374 8.374 8.509 -0.135 19773 3493 1 14 . 1 1 99 99 VAL N N 99 121.265 121.265 118.877 2.388 19773 3494 1 14 . 1 1 99 99 VAL HA H 99 3.974 3.974 3.964 0.010 19773 3495 1 14 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.015 0.488 19773 3496 1 14 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.203 0.254 19773 3497 1 14 . 1 1 99 99 VAL H H 99 8.261 8.261 7.602 0.659 19773 3498 1 14 . 1 1 100 100 ASN N N 100 122.280 122.280 121.885 0.395 19773 3499 1 14 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.736 -0.018 19773 3500 1 14 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.297 -0.180 19773 3501 1 14 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.249 -0.481 19773 3502 1 14 . 1 1 100 100 ASN H H 100 8.639 8.639 8.353 0.286 19773 3503 1 14 . 1 1 101 101 SER N N 101 117.046 117.046 120.829 -3.783 19773 3504 1 14 . 1 1 101 101 SER HA H 101 4.349 4.349 4.024 0.325 19773 3505 1 14 . 1 1 101 101 SER CA C 101 58.970 58.970 61.758 -2.788 19773 3506 1 14 . 1 1 101 101 SER CB C 101 63.397 63.397 63.241 0.156 19773 3507 1 14 . 1 1 101 101 SER H H 101 8.542 8.542 8.919 -0.377 19773 3508 1 14 . 1 1 102 102 GLN N N 102 122.514 122.514 121.126 1.388 19773 3509 1 14 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.044 0.159 19773 3510 1 14 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.330 -2.159 19773 3511 1 14 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.355 0.034 19773 3512 1 14 . 1 1 102 102 GLN H H 102 8.594 8.594 8.654 -0.060 19773 3513 1 14 . 1 1 103 103 GLU N N 103 120.874 120.874 118.721 2.153 19773 3514 1 14 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.020 0.073 19773 3515 1 14 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.393 -1.400 19773 3516 1 14 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.272 0.217 19773 3517 1 14 . 1 1 103 103 GLU H H 103 8.496 8.496 7.826 0.670 19773 3518 1 14 . 1 1 104 104 GLU N N 104 120.874 120.874 118.685 2.189 19773 3519 1 14 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.258 -0.136 19773 3520 1 14 . 1 1 104 104 GLU CA C 104 57.847 57.847 58.968 -1.121 19773 3521 1 14 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.249 0.394 19773 3522 1 14 . 1 1 104 104 GLU H H 104 8.379 8.379 7.659 0.720 19773 3523 1 14 . 1 1 105 105 GLU N N 105 121.421 121.421 118.950 2.471 19773 3524 1 14 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.280 -0.159 19773 3525 1 14 . 1 1 105 105 GLU CA C 105 58.082 58.082 58.975 -0.893 19773 3526 1 14 . 1 1 105 105 GLU H H 105 8.437 8.437 8.035 0.402 19773 3527 1 14 . 1 1 106 106 GLU N N 106 120.640 120.640 119.739 0.901 19773 3528 1 14 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.023 -0.019 19773 3529 1 14 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.372 -0.697 19773 3530 1 14 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.470 -0.149 19773 3531 1 14 . 1 1 106 106 GLU H H 106 8.463 8.463 7.878 0.585 19773 3532 1 14 . 1 1 107 107 GLU N N 107 120.249 120.249 119.535 0.714 19773 3533 1 14 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.999 0.046 19773 3534 1 14 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.495 -0.493 19773 3535 1 14 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.436 -0.400 19773 3536 1 14 . 1 1 107 107 GLU H H 107 8.385 8.385 7.911 0.474 19773 3537 1 14 . 1 1 108 108 GLU N N 108 120.902 120.902 119.856 1.046 19773 3538 1 14 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.044 0.084 19773 3539 1 14 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.178 -0.776 19773 3540 1 14 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.532 -0.712 19773 3541 1 14 . 1 1 108 108 GLU H H 108 8.125 8.125 7.676 0.449 19773 3542 1 14 . 1 1 109 109 LEU N N 109 120.327 120.327 120.134 0.193 19773 3543 1 14 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.072 -0.078 19773 3544 1 14 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.991 -0.531 19773 3545 1 14 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.639 -0.153 19773 3546 1 14 . 1 1 109 109 LEU H H 109 8.085 8.085 7.672 0.413 19773 3547 1 14 . 1 1 110 110 LEU N N 110 121.108 121.108 120.363 0.745 19773 3548 1 14 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.926 0.229 19773 3549 1 14 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.172 -0.975 19773 3550 1 14 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.599 -0.127 19773 3551 1 14 . 1 1 110 110 LEU H H 110 7.948 7.948 7.969 -0.021 19773 3552 1 14 . 1 1 111 111 ARG N N 111 119.390 119.390 118.348 1.042 19773 3553 1 14 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.881 0.021 19773 3554 1 14 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.928 -0.915 19773 3555 1 14 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.899 0.066 19773 3556 1 14 . 1 1 111 111 ARG H H 111 8.111 8.111 7.934 0.177 19773 3557 1 14 . 1 1 112 112 LYS N N 112 120.418 120.418 120.114 0.304 19773 3558 1 14 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.043 0.016 19773 3559 1 14 . 1 1 112 112 LYS CA C 112 58.715 58.715 58.945 -0.230 19773 3560 1 14 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.011 0.432 19773 3561 1 14 . 1 1 112 112 LYS H H 112 8.273 8.273 7.698 0.575 19773 3562 1 14 . 1 1 113 113 ALA N N 113 122.758 122.758 122.664 0.094 19773 3563 1 14 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.105 0.064 19773 3564 1 14 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.909 -0.616 19773 3565 1 14 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.294 -0.241 19773 3566 1 14 . 1 1 113 113 ALA H H 113 7.978 7.978 7.691 0.287 19773 3567 1 14 . 1 1 114 114 ILE N N 114 120.171 120.171 119.141 1.030 19773 3568 1 14 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.655 0.111 19773 3569 1 14 . 1 1 114 114 ILE CA C 114 63.420 63.420 64.529 -1.109 19773 3570 1 14 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.657 0.421 19773 3571 1 14 . 1 1 114 114 ILE H H 114 8.229 8.229 7.499 0.730 19773 3572 1 14 . 1 1 115 115 ALA N N 115 123.999 123.999 121.434 2.565 19773 3573 1 14 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.945 0.162 19773 3574 1 14 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.174 -0.853 19773 3575 1 14 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.227 -0.173 19773 3576 1 14 . 1 1 115 115 ALA H H 115 8.072 8.072 7.749 0.323 19773 3577 1 14 . 1 1 116 116 GLU N N 116 118.140 118.140 118.534 -0.394 19773 3578 1 14 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.984 0.136 19773 3579 1 14 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.171 -1.395 19773 3580 1 14 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.643 -0.332 19773 3581 1 14 . 1 1 116 116 GLU H H 116 8.313 8.313 8.577 -0.264 19773 3582 1 14 . 1 1 117 117 SER N N 117 115.640 115.640 113.871 1.769 19773 3583 1 14 . 1 1 117 117 SER HA H 117 4.291 4.291 4.221 0.070 19773 3584 1 14 . 1 1 117 117 SER CA C 117 59.647 59.647 61.178 -1.531 19773 3585 1 14 . 1 1 117 117 SER CB C 117 63.022 63.022 63.113 -0.091 19773 3586 1 14 . 1 1 117 117 SER H H 117 8.040 8.040 7.716 0.324 19773 3587 1 14 . 1 1 118 118 LEU N N 118 122.593 122.593 119.771 2.822 19773 3588 1 14 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.191 0.033 19773 3589 1 14 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.506 -0.631 19773 3590 1 14 . 1 1 118 118 LEU CB C 118 41.794 41.794 41.799 -0.005 19773 3591 1 14 . 1 1 118 118 LEU H H 118 7.968 7.968 7.526 0.442 19773 3592 1 14 . 1 1 119 119 ASN N N 119 117.828 117.828 114.661 3.167 19773 3593 1 14 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.713 -0.079 19773 3594 1 14 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.714 -0.181 19773 3595 1 14 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.682 -0.138 19773 3596 1 14 . 1 1 119 119 ASN H H 119 8.183 8.183 7.586 0.597 19773 3597 1 14 . 1 1 120 120 SER N N 120 115.484 115.484 116.046 -0.562 19773 3598 1 14 . 1 1 120 120 SER HA H 120 4.332 4.332 4.506 -0.174 19773 3599 1 14 . 1 1 120 120 SER CA C 120 58.417 58.417 58.699 -0.282 19773 3600 1 14 . 1 1 120 120 SER CB C 120 63.386 63.386 64.159 -0.773 19773 3601 1 14 . 1 1 120 120 SER H H 120 8.183 8.183 7.976 0.207 19773 3602 1 14 . 1 1 121 121 CYS N N 121 123.139 123.139 120.584 2.555 19773 3603 1 14 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.079 -2.181 19773 3604 1 14 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.448 1.115 19773 3605 1 14 . 1 1 121 121 CYS H H 121 8.450 8.450 8.058 0.392 19773 3606 1 14 . 1 1 124 124 SER N N 124 116.031 116.031 118.658 -2.627 19773 3607 1 14 . 1 1 124 124 SER HA H 124 4.311 4.311 4.324 -0.013 19773 3608 1 14 . 1 1 124 124 SER CA C 124 58.360 58.360 58.012 0.348 19773 3609 1 14 . 1 1 124 124 SER CB C 124 63.486 63.486 63.982 -0.496 19773 3610 1 14 . 1 1 124 124 SER H H 124 8.587 8.587 8.290 0.297 19773 3611 1 14 . 1 1 125 125 ASP N N 125 122.514 122.514 121.676 0.838 19773 3612 1 14 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.608 -0.053 19773 3613 1 14 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.317 -0.301 19773 3614 1 14 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.049 -1.185 19773 3615 1 14 . 1 1 125 125 ASP H H 125 8.424 8.424 8.492 -0.068 19773 3616 1 14 . 1 1 126 126 ALA N N 126 124.858 124.858 130.736 -5.878 19773 3617 1 14 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.075 0.148 19773 3618 1 14 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.361 -1.606 19773 3619 1 14 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.966 -0.271 19773 3620 1 14 . 1 1 126 126 ALA H H 126 8.398 8.398 8.694 -0.296 19773 3621 1 14 . 1 1 127 127 SER N N 127 114.781 114.781 114.099 0.682 19773 3622 1 14 . 1 1 127 127 SER HA H 127 4.296 4.296 4.377 -0.081 19773 3623 1 14 . 1 1 127 127 SER CA C 127 58.476 58.476 58.361 0.115 19773 3624 1 14 . 1 1 127 127 SER CB C 127 63.408 63.408 63.706 -0.298 19773 3625 1 14 . 1 1 127 127 SER H H 127 8.398 8.398 8.471 -0.073 19773 3626 1 14 . 1 1 128 128 ALA N N 128 125.639 125.639 120.962 4.677 19773 3627 1 14 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.021 0.265 19773 3628 1 14 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.222 -0.810 19773 3629 1 14 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.053 1.946 19773 3630 1 14 . 1 1 128 128 ALA H H 128 8.261 8.261 7.751 0.510 19773 3631 1 14 . 1 1 129 129 THR N N 129 113.687 113.687 112.968 0.719 19773 3632 1 14 . 1 1 129 129 THR HA H 129 4.223 4.223 4.303 -0.080 19773 3633 1 14 . 1 1 129 129 THR CA C 129 61.793 61.793 61.555 0.238 19773 3634 1 14 . 1 1 129 129 THR CB C 129 69.378 69.378 69.856 -0.478 19773 3635 1 14 . 1 1 129 129 THR H H 129 8.196 8.196 7.607 0.589 19773 3636 1 14 . 1 1 130 130 ARG N N 130 124.467 124.467 122.802 1.665 19773 3637 1 14 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.386 -0.013 19773 3638 1 14 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.516 -0.948 19773 3639 1 14 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.566 0.081 19773 3640 1 14 . 1 1 130 130 ARG H H 130 8.450 8.450 8.448 0.002 19773 3641 1 15 . 1 1 -2 -2 LEU N N -2 122.671 122.671 116.544 6.127 19773 3642 1 15 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.663 -0.385 19773 3643 1 15 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 54.210 1.075 19773 3644 1 15 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.837 -1.999 19773 3645 1 15 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.478 1.220 19773 3646 1 15 . 1 1 -1 -1 GLY N N -1 109.817 109.817 106.908 2.909 19773 3647 1 15 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.679 0.419 19773 3648 1 15 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.821 0.714 19773 3649 1 15 . 1 1 75 75 LYS N N 75 122.983 122.983 120.132 2.851 19773 3650 1 15 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.232 -0.016 19773 3651 1 15 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.851 -0.480 19773 3652 1 15 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.563 -1.075 19773 3653 1 15 . 1 1 75 75 LYS H H 75 8.411 8.411 7.887 0.524 19773 3654 1 15 . 1 1 76 76 ILE N N 76 122.749 122.749 121.726 1.023 19773 3655 1 15 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.011 0.048 19773 3656 1 15 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.181 0.000 19773 3657 1 15 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.299 0.072 19773 3658 1 15 . 1 1 76 76 ILE H H 76 8.242 8.242 7.334 0.908 19773 3659 1 15 . 1 1 77 77 ALA N N 77 127.358 127.358 130.993 -3.635 19773 3660 1 15 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.273 -0.090 19773 3661 1 15 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.642 0.968 19773 3662 1 15 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.361 -0.549 19773 3663 1 15 . 1 1 77 77 ALA H H 77 8.463 8.463 8.196 0.267 19773 3664 1 15 . 1 1 78 78 GLN N N 78 119.077 119.077 120.905 -1.828 19773 3665 1 15 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.325 -0.111 19773 3666 1 15 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.641 -0.045 19773 3667 1 15 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.318 -0.302 19773 3668 1 15 . 1 1 78 78 GLN H H 78 8.359 8.359 8.334 0.025 19773 3669 1 15 . 1 1 79 79 MET N N 79 121.781 121.781 121.036 0.745 19773 3670 1 15 . 1 1 79 79 MET HA H 79 4.450 4.450 4.627 -0.177 19773 3671 1 15 . 1 1 79 79 MET CA C 79 55.906 55.906 55.300 0.606 19773 3672 1 15 . 1 1 79 79 MET CB C 79 34.019 34.019 32.309 1.710 19773 3673 1 15 . 1 1 79 79 MET H H 79 8.360 8.360 8.490 -0.130 19773 3674 1 15 . 1 1 83 83 GLU N N 83 120.249 120.249 121.029 -0.780 19773 3675 1 15 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.092 -0.036 19773 3676 1 15 . 1 1 83 83 GLU CA C 83 58.801 58.801 59.098 -0.297 19773 3677 1 15 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.607 -0.292 19773 3678 1 15 . 1 1 83 83 GLU H H 83 8.776 8.776 8.834 -0.058 19773 3679 1 15 . 1 1 84 84 GLN N N 84 119.958 119.958 119.230 0.728 19773 3680 1 15 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.073 -0.088 19773 3681 1 15 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.575 -0.667 19773 3682 1 15 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.784 -0.394 19773 3683 1 15 . 1 1 84 84 GLN H H 84 8.037 8.037 7.629 0.408 19773 3684 1 15 . 1 1 85 85 PHE N N 85 121.733 121.733 120.684 1.049 19773 3685 1 15 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.083 0.222 19773 3686 1 15 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.081 -0.825 19773 3687 1 15 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.010 -0.294 19773 3688 1 15 . 1 1 85 85 PHE H H 85 8.652 8.652 8.159 0.493 19773 3689 1 15 . 1 1 86 86 ALA N N 86 121.811 121.811 121.876 -0.065 19773 3690 1 15 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.896 0.156 19773 3691 1 15 . 1 1 86 86 ALA CA C 86 54.315 54.315 54.975 -0.660 19773 3692 1 15 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.057 0.017 19773 3693 1 15 . 1 1 86 86 ALA H H 86 8.209 8.209 8.215 -0.006 19773 3694 1 15 . 1 1 87 87 LEU N N 87 119.780 119.780 120.208 -0.428 19773 3695 1 15 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.935 0.202 19773 3696 1 15 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.487 -0.661 19773 3697 1 15 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.360 0.245 19773 3698 1 15 . 1 1 87 87 LEU H H 87 7.877 7.877 7.861 0.016 19773 3699 1 15 . 1 1 88 88 ALA N N 88 122.593 122.593 121.749 0.844 19773 3700 1 15 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.922 0.130 19773 3701 1 15 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.093 -1.072 19773 3702 1 15 . 1 1 88 88 ALA CB C 88 17.768 17.768 17.986 -0.218 19773 3703 1 15 . 1 1 88 88 ALA H H 88 8.020 8.020 7.581 0.439 19773 3704 1 15 . 1 1 89 89 LEU N N 89 120.028 120.028 119.034 0.994 19773 3705 1 15 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.849 0.203 19773 3706 1 15 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.988 -1.486 19773 3707 1 15 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.205 0.333 19773 3708 1 15 . 1 1 89 89 LEU H H 89 8.021 8.021 7.455 0.566 19773 3709 1 15 . 1 1 90 90 LYS N N 90 120.483 120.483 120.279 0.204 19773 3710 1 15 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.978 0.170 19773 3711 1 15 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.218 -1.661 19773 3712 1 15 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.416 -0.201 19773 3713 1 15 . 1 1 90 90 LYS H H 90 7.896 7.896 8.070 -0.174 19773 3714 1 15 . 1 1 91 91 MET N N 91 119.156 119.156 117.800 1.356 19773 3715 1 15 . 1 1 91 91 MET HA H 91 4.291 4.291 4.197 0.094 19773 3716 1 15 . 1 1 91 91 MET CA C 91 56.541 56.541 57.558 -1.017 19773 3717 1 15 . 1 1 91 91 MET H H 91 8.320 8.320 8.224 0.096 19773 3718 1 15 . 1 1 92 92 SER N N 92 116.382 116.382 116.605 -0.223 19773 3719 1 15 . 1 1 92 92 SER HA H 92 4.291 4.291 4.127 0.164 19773 3720 1 15 . 1 1 92 92 SER CA C 92 59.584 59.584 61.729 -2.145 19773 3721 1 15 . 1 1 92 92 SER CB C 92 63.074 63.074 62.994 0.080 19773 3722 1 15 . 1 1 92 92 SER H H 92 8.297 8.297 7.864 0.433 19773 3723 1 15 . 1 1 93 93 GLU N N 93 122.202 122.202 120.974 1.228 19773 3724 1 15 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.967 0.168 19773 3725 1 15 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.179 -1.671 19773 3726 1 15 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.489 0.124 19773 3727 1 15 . 1 1 93 93 GLU H H 93 8.313 8.313 7.774 0.539 19773 3728 1 15 . 1 1 94 94 GLN N N 94 119.546 119.546 117.899 1.647 19773 3729 1 15 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.115 0.020 19773 3730 1 15 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.098 -1.221 19773 3731 1 15 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.393 0.433 19773 3732 1 15 . 1 1 94 94 GLN H H 94 8.177 8.177 7.639 0.538 19773 3733 1 15 . 1 1 95 95 GLU N N 95 121.030 121.030 117.688 3.342 19773 3734 1 15 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.201 -0.135 19773 3735 1 15 . 1 1 95 95 GLU CA C 95 57.161 57.161 57.385 -0.224 19773 3736 1 15 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.172 -0.266 19773 3737 1 15 . 1 1 95 95 GLU H H 95 8.281 8.281 7.784 0.497 19773 3738 1 15 . 1 1 96 96 ALA N N 96 123.530 123.530 121.613 1.917 19773 3739 1 15 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.955 0.228 19773 3740 1 15 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.673 -0.914 19773 3741 1 15 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.478 0.927 19773 3742 1 15 . 1 1 96 96 ALA H H 96 8.242 8.242 7.728 0.514 19773 3743 1 15 . 1 1 97 97 ARG N N 97 119.624 119.624 119.781 -0.157 19773 3744 1 15 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.008 0.201 19773 3745 1 15 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.348 -0.879 19773 3746 1 15 . 1 1 97 97 ARG CB C 97 30.641 30.641 28.735 1.906 19773 3747 1 15 . 1 1 97 97 ARG H H 97 8.131 8.131 8.198 -0.067 19773 3748 1 15 . 1 1 98 98 GLU N N 98 121.837 121.837 117.799 4.038 19773 3749 1 15 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.434 -0.257 19773 3750 1 15 . 1 1 98 98 GLU CA C 98 56.531 56.531 55.313 1.218 19773 3751 1 15 . 1 1 98 98 GLU CB C 98 29.665 29.665 32.401 -2.736 19773 3752 1 15 . 1 1 98 98 GLU H H 98 8.374 8.374 8.165 0.209 19773 3753 1 15 . 1 1 99 99 VAL N N 99 121.265 121.265 120.800 0.465 19773 3754 1 15 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.141 -0.167 19773 3755 1 15 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.492 0.011 19773 3756 1 15 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.166 0.291 19773 3757 1 15 . 1 1 99 99 VAL H H 99 8.261 8.261 8.224 0.037 19773 3758 1 15 . 1 1 100 100 ASN N N 100 122.280 122.280 121.736 0.544 19773 3759 1 15 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.692 0.026 19773 3760 1 15 . 1 1 100 100 ASN CA C 100 53.117 53.117 52.845 0.272 19773 3761 1 15 . 1 1 100 100 ASN CB C 100 38.768 38.768 38.709 0.059 19773 3762 1 15 . 1 1 100 100 ASN H H 100 8.639 8.639 8.660 -0.021 19773 3763 1 15 . 1 1 101 101 SER N N 101 117.046 117.046 119.167 -2.121 19773 3764 1 15 . 1 1 101 101 SER HA H 101 4.349 4.349 4.045 0.304 19773 3765 1 15 . 1 1 101 101 SER CA C 101 58.970 58.970 61.120 -2.150 19773 3766 1 15 . 1 1 101 101 SER CB C 101 63.397 63.397 63.199 0.198 19773 3767 1 15 . 1 1 101 101 SER H H 101 8.542 8.542 8.929 -0.387 19773 3768 1 15 . 1 1 102 102 GLN N N 102 122.514 122.514 121.482 1.032 19773 3769 1 15 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.058 0.145 19773 3770 1 15 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.818 -1.648 19773 3771 1 15 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.134 0.255 19773 3772 1 15 . 1 1 102 102 GLN H H 102 8.594 8.594 8.626 -0.032 19773 3773 1 15 . 1 1 103 103 GLU N N 103 120.874 120.874 119.404 1.470 19773 3774 1 15 . 1 1 103 103 GLU HA H 103 4.093 4.093 3.989 0.104 19773 3775 1 15 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.500 -1.507 19773 3776 1 15 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.369 0.120 19773 3777 1 15 . 1 1 103 103 GLU H H 103 8.496 8.496 7.821 0.675 19773 3778 1 15 . 1 1 104 104 GLU N N 104 120.874 120.874 118.494 2.380 19773 3779 1 15 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.027 0.095 19773 3780 1 15 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.159 -1.312 19773 3781 1 15 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.192 0.451 19773 3782 1 15 . 1 1 104 104 GLU H H 104 8.379 8.379 7.566 0.813 19773 3783 1 15 . 1 1 105 105 GLU N N 105 121.421 121.421 120.747 0.674 19773 3784 1 15 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.008 0.113 19773 3785 1 15 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.365 -1.283 19773 3786 1 15 . 1 1 105 105 GLU H H 105 8.437 8.437 7.870 0.567 19773 3787 1 15 . 1 1 106 106 GLU N N 106 120.640 120.640 118.711 1.929 19773 3788 1 15 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.011 -0.007 19773 3789 1 15 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.253 -0.578 19773 3790 1 15 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.120 0.201 19773 3791 1 15 . 1 1 106 106 GLU H H 106 8.463 8.463 7.946 0.517 19773 3792 1 15 . 1 1 107 107 GLU N N 107 120.249 120.249 119.801 0.448 19773 3793 1 15 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.025 0.020 19773 3794 1 15 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.461 -0.459 19773 3795 1 15 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.504 -0.468 19773 3796 1 15 . 1 1 107 107 GLU H H 107 8.385 8.385 7.805 0.580 19773 3797 1 15 . 1 1 108 108 GLU N N 108 120.902 120.902 120.036 0.866 19773 3798 1 15 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.061 0.067 19773 3799 1 15 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.372 -0.970 19773 3800 1 15 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.516 -0.696 19773 3801 1 15 . 1 1 108 108 GLU H H 108 8.125 8.125 7.640 0.485 19773 3802 1 15 . 1 1 109 109 LEU N N 109 120.327 120.327 120.223 0.104 19773 3803 1 15 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.076 -0.082 19773 3804 1 15 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.974 -0.514 19773 3805 1 15 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.724 -0.239 19773 3806 1 15 . 1 1 109 109 LEU H H 109 8.085 8.085 7.790 0.295 19773 3807 1 15 . 1 1 110 110 LEU N N 110 121.108 121.108 120.549 0.559 19773 3808 1 15 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.931 0.224 19773 3809 1 15 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.156 -0.959 19773 3810 1 15 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.536 -0.064 19773 3811 1 15 . 1 1 110 110 LEU H H 110 7.948 7.948 8.391 -0.443 19773 3812 1 15 . 1 1 111 111 ARG N N 111 119.390 119.390 119.168 0.222 19773 3813 1 15 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.959 -0.057 19773 3814 1 15 . 1 1 111 111 ARG CA C 111 59.013 59.013 58.960 0.053 19773 3815 1 15 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.711 0.254 19773 3816 1 15 . 1 1 111 111 ARG H H 111 8.111 8.111 8.236 -0.125 19773 3817 1 15 . 1 1 112 112 LYS N N 112 120.418 120.418 119.011 1.407 19773 3818 1 15 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.038 0.021 19773 3819 1 15 . 1 1 112 112 LYS CA C 112 58.715 58.715 58.995 -0.280 19773 3820 1 15 . 1 1 112 112 LYS CB C 112 32.443 32.443 31.951 0.492 19773 3821 1 15 . 1 1 112 112 LYS H H 112 8.273 8.273 7.649 0.624 19773 3822 1 15 . 1 1 113 113 ALA N N 113 122.758 122.758 122.610 0.148 19773 3823 1 15 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.060 0.109 19773 3824 1 15 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.090 -0.797 19773 3825 1 15 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.215 -0.162 19773 3826 1 15 . 1 1 113 113 ALA H H 113 7.978 7.978 7.725 0.253 19773 3827 1 15 . 1 1 114 114 ILE N N 114 120.171 120.171 119.225 0.946 19773 3828 1 15 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.666 0.100 19773 3829 1 15 . 1 1 114 114 ILE CA C 114 63.420 63.420 64.445 -1.025 19773 3830 1 15 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.573 0.505 19773 3831 1 15 . 1 1 114 114 ILE H H 114 8.229 8.229 7.546 0.683 19773 3832 1 15 . 1 1 115 115 ALA N N 115 123.999 123.999 122.386 1.613 19773 3833 1 15 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.949 0.158 19773 3834 1 15 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.495 -1.174 19773 3835 1 15 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.184 -0.130 19773 3836 1 15 . 1 1 115 115 ALA H H 115 8.072 8.072 7.897 0.175 19773 3837 1 15 . 1 1 116 116 GLU N N 116 118.140 118.140 117.834 0.306 19773 3838 1 15 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.059 0.061 19773 3839 1 15 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.746 -0.970 19773 3840 1 15 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.194 0.117 19773 3841 1 15 . 1 1 116 116 GLU H H 116 8.313 8.313 8.325 -0.012 19773 3842 1 15 . 1 1 117 117 SER N N 117 115.640 115.640 114.830 0.810 19773 3843 1 15 . 1 1 117 117 SER HA H 117 4.291 4.291 4.263 0.028 19773 3844 1 15 . 1 1 117 117 SER CA C 117 59.647 59.647 61.392 -1.745 19773 3845 1 15 . 1 1 117 117 SER CB C 117 63.022 63.022 63.151 -0.129 19773 3846 1 15 . 1 1 117 117 SER H H 117 8.040 8.040 7.701 0.339 19773 3847 1 15 . 1 1 118 118 LEU N N 118 122.593 122.593 119.422 3.171 19773 3848 1 15 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.217 0.007 19773 3849 1 15 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.567 -0.692 19773 3850 1 15 . 1 1 118 118 LEU CB C 118 41.794 41.794 41.639 0.155 19773 3851 1 15 . 1 1 118 118 LEU H H 118 7.968 7.968 7.723 0.245 19773 3852 1 15 . 1 1 119 119 ASN N N 119 117.828 117.828 113.875 3.953 19773 3853 1 15 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.787 -0.153 19773 3854 1 15 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.207 0.326 19773 3855 1 15 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.111 -0.566 19773 3856 1 15 . 1 1 119 119 ASN H H 119 8.183 8.183 7.672 0.511 19773 3857 1 15 . 1 1 120 120 SER N N 120 115.484 115.484 116.230 -0.746 19773 3858 1 15 . 1 1 120 120 SER HA H 120 4.332 4.332 4.362 -0.030 19773 3859 1 15 . 1 1 120 120 SER CA C 120 58.417 58.417 58.228 0.189 19773 3860 1 15 . 1 1 120 120 SER CB C 120 63.386 63.386 64.036 -0.650 19773 3861 1 15 . 1 1 120 120 SER H H 120 8.183 8.183 7.505 0.678 19773 3862 1 15 . 1 1 121 121 CYS N N 121 123.139 123.139 124.214 -1.075 19773 3863 1 15 . 1 1 121 121 CYS CA C 121 55.898 55.898 57.959 -2.061 19773 3864 1 15 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.939 1.625 19773 3865 1 15 . 1 1 121 121 CYS H H 121 8.450 8.450 8.360 0.090 19773 3866 1 15 . 1 1 124 124 SER N N 124 116.031 116.031 117.326 -1.295 19773 3867 1 15 . 1 1 124 124 SER HA H 124 4.311 4.311 4.330 -0.019 19773 3868 1 15 . 1 1 124 124 SER CA C 124 58.360 58.360 57.986 0.374 19773 3869 1 15 . 1 1 124 124 SER CB C 124 63.486 63.486 64.073 -0.587 19773 3870 1 15 . 1 1 124 124 SER H H 124 8.587 8.587 8.214 0.373 19773 3871 1 15 . 1 1 125 125 ASP N N 125 122.514 122.514 121.966 0.548 19773 3872 1 15 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.654 -0.099 19773 3873 1 15 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.373 -0.357 19773 3874 1 15 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.462 -0.598 19773 3875 1 15 . 1 1 125 125 ASP H H 125 8.424 8.424 8.031 0.393 19773 3876 1 15 . 1 1 126 126 ALA N N 126 124.858 124.858 125.681 -0.823 19773 3877 1 15 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.132 0.091 19773 3878 1 15 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.527 -1.772 19773 3879 1 15 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.808 -0.113 19773 3880 1 15 . 1 1 126 126 ALA H H 126 8.398 8.398 8.579 -0.181 19773 3881 1 15 . 1 1 127 127 SER N N 127 114.781 114.781 113.564 1.217 19773 3882 1 15 . 1 1 127 127 SER HA H 127 4.296 4.296 4.388 -0.092 19773 3883 1 15 . 1 1 127 127 SER CA C 127 58.476 58.476 58.451 0.025 19773 3884 1 15 . 1 1 127 127 SER CB C 127 63.408 63.408 63.526 -0.118 19773 3885 1 15 . 1 1 127 127 SER H H 127 8.398 8.398 7.946 0.452 19773 3886 1 15 . 1 1 128 128 ALA N N 128 125.639 125.639 122.500 3.139 19773 3887 1 15 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.015 0.271 19773 3888 1 15 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.379 -0.967 19773 3889 1 15 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.354 1.647 19773 3890 1 15 . 1 1 128 128 ALA H H 128 8.261 8.261 8.152 0.109 19773 3891 1 15 . 1 1 129 129 THR N N 129 113.687 113.687 112.057 1.630 19773 3892 1 15 . 1 1 129 129 THR HA H 129 4.223 4.223 4.378 -0.155 19773 3893 1 15 . 1 1 129 129 THR CA C 129 61.793 61.793 61.130 0.663 19773 3894 1 15 . 1 1 129 129 THR CB C 129 69.378 69.378 70.130 -0.752 19773 3895 1 15 . 1 1 129 129 THR H H 129 8.196 8.196 7.591 0.605 19773 3896 1 15 . 1 1 130 130 ARG N N 130 124.467 124.467 123.299 1.168 19773 3897 1 15 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.370 0.003 19773 3898 1 15 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.633 -1.065 19773 3899 1 15 . 1 1 130 130 ARG CB C 130 30.647 30.647 31.023 -0.376 19773 3900 1 15 . 1 1 130 130 ARG H H 130 8.450 8.450 8.582 -0.132 19773 3901 1 16 . 1 1 -2 -2 LEU N N -2 122.671 122.671 121.962 0.709 19773 3902 1 16 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.192 0.086 19773 3903 1 16 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 56.412 -1.127 19773 3904 1 16 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.884 -0.046 19773 3905 1 16 . 1 1 -2 -2 LEU H H -2 8.698 8.698 8.328 0.370 19773 3906 1 16 . 1 1 -1 -1 GLY N N -1 109.817 109.817 104.551 5.266 19773 3907 1 16 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.713 0.385 19773 3908 1 16 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.825 0.710 19773 3909 1 16 . 1 1 75 75 LYS N N 75 122.983 122.983 119.661 3.322 19773 3910 1 16 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.256 -0.040 19773 3911 1 16 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.473 -0.102 19773 3912 1 16 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.138 -0.650 19773 3913 1 16 . 1 1 75 75 LYS H H 75 8.411 8.411 7.805 0.606 19773 3914 1 16 . 1 1 76 76 ILE N N 76 122.749 122.749 121.804 0.945 19773 3915 1 16 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.020 0.039 19773 3916 1 16 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.092 0.089 19773 3917 1 16 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.392 -0.021 19773 3918 1 16 . 1 1 76 76 ILE H H 76 8.242 8.242 7.319 0.923 19773 3919 1 16 . 1 1 77 77 ALA N N 77 127.358 127.358 130.660 -3.302 19773 3920 1 16 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.336 -0.153 19773 3921 1 16 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.745 0.864 19773 3922 1 16 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.492 -0.680 19773 3923 1 16 . 1 1 77 77 ALA H H 77 8.463 8.463 8.331 0.132 19773 3924 1 16 . 1 1 78 78 GLN N N 78 119.077 119.077 121.613 -2.536 19773 3925 1 16 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.208 0.006 19773 3926 1 16 . 1 1 78 78 GLN CA C 78 55.596 55.596 56.501 -0.905 19773 3927 1 16 . 1 1 78 78 GLN CB C 78 29.016 29.016 28.390 0.626 19773 3928 1 16 . 1 1 78 78 GLN H H 78 8.359 8.359 8.561 -0.202 19773 3929 1 16 . 1 1 79 79 MET N N 79 121.781 121.781 123.688 -1.907 19773 3930 1 16 . 1 1 79 79 MET HA H 79 4.450 4.450 4.643 -0.193 19773 3931 1 16 . 1 1 79 79 MET CA C 79 55.906 55.906 55.361 0.545 19773 3932 1 16 . 1 1 79 79 MET CB C 79 34.019 34.019 33.193 0.826 19773 3933 1 16 . 1 1 79 79 MET H H 79 8.360 8.360 8.340 0.020 19773 3934 1 16 . 1 1 83 83 GLU N N 83 120.249 120.249 121.926 -1.677 19773 3935 1 16 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.129 -0.073 19773 3936 1 16 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.769 0.032 19773 3937 1 16 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.655 -0.340 19773 3938 1 16 . 1 1 83 83 GLU H H 83 8.776 8.776 8.510 0.266 19773 3939 1 16 . 1 1 84 84 GLN N N 84 119.958 119.958 119.751 0.207 19773 3940 1 16 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.088 -0.103 19773 3941 1 16 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.544 -0.636 19773 3942 1 16 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.346 0.044 19773 3943 1 16 . 1 1 84 84 GLN H H 84 8.037 8.037 7.670 0.367 19773 3944 1 16 . 1 1 85 85 PHE N N 85 121.733 121.733 120.499 1.234 19773 3945 1 16 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.142 0.163 19773 3946 1 16 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.446 -1.190 19773 3947 1 16 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.005 -0.289 19773 3948 1 16 . 1 1 85 85 PHE H H 85 8.652 8.652 8.162 0.490 19773 3949 1 16 . 1 1 86 86 ALA N N 86 121.811 121.811 121.930 -0.119 19773 3950 1 16 . 1 1 86 86 ALA HA H 86 4.052 4.052 4.007 0.045 19773 3951 1 16 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.048 -0.733 19773 3952 1 16 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.135 -0.061 19773 3953 1 16 . 1 1 86 86 ALA H H 86 8.209 8.209 8.068 0.141 19773 3954 1 16 . 1 1 87 87 LEU N N 87 119.780 119.780 120.373 -0.593 19773 3955 1 16 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.943 0.194 19773 3956 1 16 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.712 -0.886 19773 3957 1 16 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.413 0.192 19773 3958 1 16 . 1 1 87 87 LEU H H 87 7.877 7.877 8.164 -0.287 19773 3959 1 16 . 1 1 88 88 ALA N N 88 122.593 122.593 121.746 0.847 19773 3960 1 16 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.908 0.144 19773 3961 1 16 . 1 1 88 88 ALA CA C 88 54.021 54.021 55.027 -1.006 19773 3962 1 16 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.063 -0.295 19773 3963 1 16 . 1 1 88 88 ALA H H 88 8.020 8.020 7.752 0.268 19773 3964 1 16 . 1 1 89 89 LEU N N 89 120.028 120.028 118.497 1.531 19773 3965 1 16 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.908 0.144 19773 3966 1 16 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.590 -1.088 19773 3967 1 16 . 1 1 89 89 LEU CB C 89 41.538 41.538 40.810 0.728 19773 3968 1 16 . 1 1 89 89 LEU H H 89 8.021 8.021 7.561 0.460 19773 3969 1 16 . 1 1 90 90 LYS N N 90 120.483 120.483 119.337 1.146 19773 3970 1 16 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.101 0.047 19773 3971 1 16 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.903 -1.346 19773 3972 1 16 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.014 0.201 19773 3973 1 16 . 1 1 90 90 LYS H H 90 7.896 7.896 8.314 -0.418 19773 3974 1 16 . 1 1 91 91 MET N N 91 119.156 119.156 121.114 -1.958 19773 3975 1 16 . 1 1 91 91 MET HA H 91 4.291 4.291 4.353 -0.062 19773 3976 1 16 . 1 1 91 91 MET CA C 91 56.541 56.541 58.956 -2.415 19773 3977 1 16 . 1 1 91 91 MET H H 91 8.320 8.320 8.675 -0.355 19773 3978 1 16 . 1 1 92 92 SER N N 92 116.382 116.382 115.433 0.949 19773 3979 1 16 . 1 1 92 92 SER HA H 92 4.291 4.291 4.091 0.200 19773 3980 1 16 . 1 1 92 92 SER CA C 92 59.584 59.584 62.280 -2.696 19773 3981 1 16 . 1 1 92 92 SER CB C 92 63.074 63.074 62.541 0.534 19773 3982 1 16 . 1 1 92 92 SER H H 92 8.297 8.297 7.953 0.344 19773 3983 1 16 . 1 1 93 93 GLU N N 93 122.202 122.202 121.647 0.555 19773 3984 1 16 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.998 0.137 19773 3985 1 16 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.167 -1.659 19773 3986 1 16 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.464 0.149 19773 3987 1 16 . 1 1 93 93 GLU H H 93 8.313 8.313 7.785 0.528 19773 3988 1 16 . 1 1 94 94 GLN N N 94 119.546 119.546 118.405 1.141 19773 3989 1 16 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.075 0.060 19773 3990 1 16 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.314 -1.437 19773 3991 1 16 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.756 0.070 19773 3992 1 16 . 1 1 94 94 GLN H H 94 8.177 8.177 7.854 0.323 19773 3993 1 16 . 1 1 95 95 GLU N N 95 121.030 121.030 117.232 3.798 19773 3994 1 16 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.259 -0.193 19773 3995 1 16 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.394 0.767 19773 3996 1 16 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.792 0.114 19773 3997 1 16 . 1 1 95 95 GLU H H 95 8.281 8.281 7.887 0.394 19773 3998 1 16 . 1 1 96 96 ALA N N 96 123.530 123.530 120.909 2.621 19773 3999 1 16 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.948 0.235 19773 4000 1 16 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.486 0.273 19773 4001 1 16 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.561 0.844 19773 4002 1 16 . 1 1 96 96 ALA H H 96 8.242 8.242 7.418 0.824 19773 4003 1 16 . 1 1 97 97 ARG N N 97 119.624 119.624 117.709 1.915 19773 4004 1 16 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.937 0.272 19773 4005 1 16 . 1 1 97 97 ARG CA C 97 56.469 56.469 56.429 0.040 19773 4006 1 16 . 1 1 97 97 ARG CB C 97 30.641 30.641 30.550 0.091 19773 4007 1 16 . 1 1 97 97 ARG H H 97 8.131 8.131 8.045 0.086 19773 4008 1 16 . 1 1 98 98 GLU N N 98 121.837 121.837 120.905 0.932 19773 4009 1 16 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.035 0.142 19773 4010 1 16 . 1 1 98 98 GLU CA C 98 56.531 56.531 57.078 -0.547 19773 4011 1 16 . 1 1 98 98 GLU CB C 98 29.665 29.665 29.037 0.628 19773 4012 1 16 . 1 1 98 98 GLU H H 98 8.374 8.374 8.610 -0.236 19773 4013 1 16 . 1 1 99 99 VAL N N 99 121.265 121.265 122.002 -0.737 19773 4014 1 16 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.080 -0.106 19773 4015 1 16 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.710 0.793 19773 4016 1 16 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.707 -0.250 19773 4017 1 16 . 1 1 99 99 VAL H H 99 8.261 8.261 8.135 0.126 19773 4018 1 16 . 1 1 100 100 ASN N N 100 122.280 122.280 121.811 0.469 19773 4019 1 16 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.695 0.023 19773 4020 1 16 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.180 -0.063 19773 4021 1 16 . 1 1 100 100 ASN CB C 100 38.768 38.768 38.930 -0.162 19773 4022 1 16 . 1 1 100 100 ASN H H 100 8.639 8.639 8.350 0.289 19773 4023 1 16 . 1 1 101 101 SER N N 101 117.046 117.046 120.701 -3.655 19773 4024 1 16 . 1 1 101 101 SER HA H 101 4.349 4.349 4.070 0.279 19773 4025 1 16 . 1 1 101 101 SER CA C 101 58.970 58.970 62.435 -3.465 19773 4026 1 16 . 1 1 101 101 SER CB C 101 63.397 63.397 63.094 0.302 19773 4027 1 16 . 1 1 101 101 SER H H 101 8.542 8.542 8.953 -0.411 19773 4028 1 16 . 1 1 102 102 GLN N N 102 122.514 122.514 119.483 3.031 19773 4029 1 16 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.134 0.069 19773 4030 1 16 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.177 -2.007 19773 4031 1 16 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.010 0.379 19773 4032 1 16 . 1 1 102 102 GLN H H 102 8.594 8.594 8.629 -0.035 19773 4033 1 16 . 1 1 103 103 GLU N N 103 120.874 120.874 119.520 1.354 19773 4034 1 16 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.059 0.034 19773 4035 1 16 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.330 -1.337 19773 4036 1 16 . 1 1 103 103 GLU CB C 103 29.489 29.489 28.959 0.530 19773 4037 1 16 . 1 1 103 103 GLU H H 103 8.496 8.496 8.542 -0.046 19773 4038 1 16 . 1 1 104 104 GLU N N 104 120.874 120.874 119.528 1.346 19773 4039 1 16 . 1 1 104 104 GLU HA H 104 4.122 4.122 3.938 0.184 19773 4040 1 16 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.511 -1.664 19773 4041 1 16 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.479 0.164 19773 4042 1 16 . 1 1 104 104 GLU H H 104 8.379 8.379 8.059 0.320 19773 4043 1 16 . 1 1 105 105 GLU N N 105 121.421 121.421 120.091 1.330 19773 4044 1 16 . 1 1 105 105 GLU HA H 105 4.121 4.121 3.984 0.137 19773 4045 1 16 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.591 -1.509 19773 4046 1 16 . 1 1 105 105 GLU H H 105 8.437 8.437 7.868 0.569 19773 4047 1 16 . 1 1 106 106 GLU N N 106 120.640 120.640 118.561 2.079 19773 4048 1 16 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.011 -0.007 19773 4049 1 16 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.207 -0.532 19773 4050 1 16 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.207 0.114 19773 4051 1 16 . 1 1 106 106 GLU H H 106 8.463 8.463 7.783 0.680 19773 4052 1 16 . 1 1 107 107 GLU N N 107 120.249 120.249 118.794 1.455 19773 4053 1 16 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.009 0.036 19773 4054 1 16 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.287 -0.285 19773 4055 1 16 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.066 -0.030 19773 4056 1 16 . 1 1 107 107 GLU H H 107 8.385 8.385 8.075 0.310 19773 4057 1 16 . 1 1 108 108 GLU N N 108 120.902 120.902 120.495 0.407 19773 4058 1 16 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.103 0.025 19773 4059 1 16 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.184 -0.783 19773 4060 1 16 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.483 -0.663 19773 4061 1 16 . 1 1 108 108 GLU H H 108 8.125 8.125 7.972 0.153 19773 4062 1 16 . 1 1 109 109 LEU N N 109 120.327 120.327 119.919 0.408 19773 4063 1 16 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.019 -0.025 19773 4064 1 16 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.546 -0.086 19773 4065 1 16 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.820 -0.335 19773 4066 1 16 . 1 1 109 109 LEU H H 109 8.085 8.085 7.734 0.351 19773 4067 1 16 . 1 1 110 110 LEU N N 110 121.108 121.108 120.086 1.022 19773 4068 1 16 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.991 0.164 19773 4069 1 16 . 1 1 110 110 LEU CA C 110 57.197 57.197 57.901 -0.704 19773 4070 1 16 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.580 -0.108 19773 4071 1 16 . 1 1 110 110 LEU H H 110 7.948 7.948 7.997 -0.049 19773 4072 1 16 . 1 1 111 111 ARG N N 111 119.390 119.390 119.151 0.239 19773 4073 1 16 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.875 0.027 19773 4074 1 16 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.936 -0.923 19773 4075 1 16 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.056 -0.091 19773 4076 1 16 . 1 1 111 111 ARG H H 111 8.111 8.111 8.486 -0.375 19773 4077 1 16 . 1 1 112 112 LYS N N 112 120.418 120.418 119.614 0.804 19773 4078 1 16 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.016 0.043 19773 4079 1 16 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.484 -0.769 19773 4080 1 16 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.340 0.103 19773 4081 1 16 . 1 1 112 112 LYS H H 112 8.273 8.273 7.938 0.335 19773 4082 1 16 . 1 1 113 113 ALA N N 113 122.758 122.758 121.795 0.963 19773 4083 1 16 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.088 0.081 19773 4084 1 16 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.013 -0.720 19773 4085 1 16 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.181 -0.128 19773 4086 1 16 . 1 1 113 113 ALA H H 113 7.978 7.978 7.692 0.286 19773 4087 1 16 . 1 1 114 114 ILE N N 114 120.171 120.171 119.317 0.854 19773 4088 1 16 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.728 0.038 19773 4089 1 16 . 1 1 114 114 ILE CA C 114 63.420 63.420 64.987 -1.567 19773 4090 1 16 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.833 0.245 19773 4091 1 16 . 1 1 114 114 ILE H H 114 8.229 8.229 7.929 0.300 19773 4092 1 16 . 1 1 115 115 ALA N N 115 123.999 123.999 122.174 1.825 19773 4093 1 16 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.940 0.167 19773 4094 1 16 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.419 -1.098 19773 4095 1 16 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.038 0.016 19773 4096 1 16 . 1 1 115 115 ALA H H 115 8.072 8.072 8.311 -0.239 19773 4097 1 16 . 1 1 116 116 GLU N N 116 118.140 118.140 118.744 -0.604 19773 4098 1 16 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.024 0.096 19773 4099 1 16 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.800 -1.024 19773 4100 1 16 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.358 -0.047 19773 4101 1 16 . 1 1 116 116 GLU H H 116 8.313 8.313 8.245 0.068 19773 4102 1 16 . 1 1 117 117 SER N N 117 115.640 115.640 115.402 0.238 19773 4103 1 16 . 1 1 117 117 SER HA H 117 4.291 4.291 4.181 0.110 19773 4104 1 16 . 1 1 117 117 SER CA C 117 59.647 59.647 61.317 -1.670 19773 4105 1 16 . 1 1 117 117 SER CB C 117 63.022 63.022 63.173 -0.151 19773 4106 1 16 . 1 1 117 117 SER H H 117 8.040 8.040 7.771 0.269 19773 4107 1 16 . 1 1 118 118 LEU N N 118 122.593 122.593 119.286 3.307 19773 4108 1 16 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.161 0.063 19773 4109 1 16 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.634 -0.759 19773 4110 1 16 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.122 -0.328 19773 4111 1 16 . 1 1 118 118 LEU H H 118 7.968 7.968 7.703 0.265 19773 4112 1 16 . 1 1 119 119 ASN N N 119 117.828 117.828 115.540 2.288 19773 4113 1 16 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.665 -0.031 19773 4114 1 16 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.963 -0.430 19773 4115 1 16 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.658 -0.113 19773 4116 1 16 . 1 1 119 119 ASN H H 119 8.183 8.183 8.120 0.063 19773 4117 1 16 . 1 1 120 120 SER N N 120 115.484 115.484 116.298 -0.814 19773 4118 1 16 . 1 1 120 120 SER HA H 120 4.332 4.332 4.367 -0.035 19773 4119 1 16 . 1 1 120 120 SER CA C 120 58.417 58.417 58.359 0.058 19773 4120 1 16 . 1 1 120 120 SER CB C 120 63.386 63.386 63.691 -0.305 19773 4121 1 16 . 1 1 120 120 SER H H 120 8.183 8.183 7.555 0.628 19773 4122 1 16 . 1 1 121 121 CYS N N 121 123.139 123.139 122.302 0.837 19773 4123 1 16 . 1 1 121 121 CYS CA C 121 55.898 55.898 59.592 -3.694 19773 4124 1 16 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.582 1.982 19773 4125 1 16 . 1 1 121 121 CYS H H 121 8.450 8.450 8.344 0.106 19773 4126 1 16 . 1 1 124 124 SER N N 124 116.031 116.031 118.455 -2.424 19773 4127 1 16 . 1 1 124 124 SER HA H 124 4.311 4.311 4.396 -0.085 19773 4128 1 16 . 1 1 124 124 SER CA C 124 58.360 58.360 58.139 0.221 19773 4129 1 16 . 1 1 124 124 SER CB C 124 63.486 63.486 64.087 -0.601 19773 4130 1 16 . 1 1 124 124 SER H H 124 8.587 8.587 8.164 0.423 19773 4131 1 16 . 1 1 125 125 ASP N N 125 122.514 122.514 121.663 0.851 19773 4132 1 16 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.705 -0.150 19773 4133 1 16 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.436 -0.420 19773 4134 1 16 . 1 1 125 125 ASP CB C 125 40.864 40.864 40.997 -0.133 19773 4135 1 16 . 1 1 125 125 ASP H H 125 8.424 8.424 8.539 -0.115 19773 4136 1 16 . 1 1 126 126 ALA N N 126 124.858 124.858 127.251 -2.393 19773 4137 1 16 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.317 -0.094 19773 4138 1 16 . 1 1 126 126 ALA CA C 126 52.755 52.755 53.238 -0.483 19773 4139 1 16 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.942 -0.247 19773 4140 1 16 . 1 1 126 126 ALA H H 126 8.398 8.398 8.466 -0.068 19773 4141 1 16 . 1 1 127 127 SER N N 127 114.781 114.781 113.240 1.541 19773 4142 1 16 . 1 1 127 127 SER HA H 127 4.296 4.296 4.331 -0.035 19773 4143 1 16 . 1 1 127 127 SER CA C 127 58.476 58.476 58.132 0.344 19773 4144 1 16 . 1 1 127 127 SER CB C 127 63.408 63.408 63.285 0.123 19773 4145 1 16 . 1 1 127 127 SER H H 127 8.398 8.398 7.806 0.592 19773 4146 1 16 . 1 1 128 128 ALA N N 128 125.639 125.639 123.003 2.636 19773 4147 1 16 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.075 0.211 19773 4148 1 16 . 1 1 128 128 ALA CA C 128 52.412 52.412 52.898 -0.486 19773 4149 1 16 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.583 1.417 19773 4150 1 16 . 1 1 128 128 ALA H H 128 8.261 8.261 7.651 0.610 19773 4151 1 16 . 1 1 129 129 THR N N 129 113.687 113.687 116.339 -2.652 19773 4152 1 16 . 1 1 129 129 THR HA H 129 4.223 4.223 4.227 -0.004 19773 4153 1 16 . 1 1 129 129 THR CA C 129 61.793 61.793 63.554 -1.761 19773 4154 1 16 . 1 1 129 129 THR CB C 129 69.378 69.378 69.364 0.014 19773 4155 1 16 . 1 1 129 129 THR H H 129 8.196 8.196 7.746 0.450 19773 4156 1 16 . 1 1 130 130 ARG N N 130 124.467 124.467 125.106 -0.639 19773 4157 1 16 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.458 -0.085 19773 4158 1 16 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.497 -0.929 19773 4159 1 16 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.991 -0.344 19773 4160 1 16 . 1 1 130 130 ARG H H 130 8.450 8.450 8.505 -0.055 19773 4161 1 17 . 1 1 -2 -2 LEU N N -2 122.671 122.671 119.524 3.147 19773 4162 1 17 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.092 0.186 19773 4163 1 17 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 56.734 -1.449 19773 4164 1 17 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.083 -0.245 19773 4165 1 17 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.778 0.920 19773 4166 1 17 . 1 1 -1 -1 GLY N N -1 109.817 109.817 111.968 -2.151 19773 4167 1 17 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 45.349 -0.251 19773 4168 1 17 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.356 0.179 19773 4169 1 17 . 1 1 75 75 LYS N N 75 122.983 122.983 119.579 3.404 19773 4170 1 17 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.252 -0.036 19773 4171 1 17 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.597 -0.227 19773 4172 1 17 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.157 -0.669 19773 4173 1 17 . 1 1 75 75 LYS H H 75 8.411 8.411 7.860 0.551 19773 4174 1 17 . 1 1 76 76 ILE N N 76 122.749 122.749 121.357 1.392 19773 4175 1 17 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.089 -0.030 19773 4176 1 17 . 1 1 76 76 ILE CA C 76 61.181 61.181 59.134 2.047 19773 4177 1 17 . 1 1 76 76 ILE CB C 76 38.371 38.371 37.079 1.292 19773 4178 1 17 . 1 1 76 76 ILE H H 76 8.242 8.242 7.480 0.762 19773 4179 1 17 . 1 1 77 77 ALA N N 77 127.358 127.358 131.032 -3.674 19773 4180 1 17 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.453 -0.270 19773 4181 1 17 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.728 0.881 19773 4182 1 17 . 1 1 77 77 ALA CB C 77 18.812 18.812 20.019 -1.207 19773 4183 1 17 . 1 1 77 77 ALA H H 77 8.463 8.463 8.297 0.166 19773 4184 1 17 . 1 1 78 78 GLN N N 78 119.077 119.077 122.280 -3.203 19773 4185 1 17 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.346 -0.132 19773 4186 1 17 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.491 0.105 19773 4187 1 17 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.175 -0.159 19773 4188 1 17 . 1 1 78 78 GLN H H 78 8.359 8.359 8.444 -0.084 19773 4189 1 17 . 1 1 79 79 MET N N 79 121.781 121.781 124.442 -2.661 19773 4190 1 17 . 1 1 79 79 MET HA H 79 4.450 4.450 4.703 -0.253 19773 4191 1 17 . 1 1 79 79 MET CA C 79 55.906 55.906 53.805 2.101 19773 4192 1 17 . 1 1 79 79 MET CB C 79 34.019 34.019 32.524 1.495 19773 4193 1 17 . 1 1 79 79 MET H H 79 8.360 8.360 8.484 -0.124 19773 4194 1 17 . 1 1 83 83 GLU N N 83 120.249 120.249 121.845 -1.596 19773 4195 1 17 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.059 -0.003 19773 4196 1 17 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.869 -0.068 19773 4197 1 17 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.851 -0.536 19773 4198 1 17 . 1 1 83 83 GLU H H 83 8.776 8.776 8.491 0.285 19773 4199 1 17 . 1 1 84 84 GLN N N 84 119.958 119.958 119.586 0.372 19773 4200 1 17 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.081 -0.096 19773 4201 1 17 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.399 -0.491 19773 4202 1 17 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.399 -0.010 19773 4203 1 17 . 1 1 84 84 GLN H H 84 8.037 8.037 7.752 0.285 19773 4204 1 17 . 1 1 85 85 PHE N N 85 121.733 121.733 120.466 1.267 19773 4205 1 17 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.122 0.183 19773 4206 1 17 . 1 1 85 85 PHE CA C 85 60.256 60.256 60.930 -0.674 19773 4207 1 17 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.903 -0.187 19773 4208 1 17 . 1 1 85 85 PHE H H 85 8.652 8.652 8.649 0.003 19773 4209 1 17 . 1 1 86 86 ALA N N 86 121.811 121.811 122.250 -0.439 19773 4210 1 17 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.849 0.203 19773 4211 1 17 . 1 1 86 86 ALA CA C 86 54.315 54.315 54.961 -0.646 19773 4212 1 17 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.343 -0.269 19773 4213 1 17 . 1 1 86 86 ALA H H 86 8.209 8.209 7.979 0.230 19773 4214 1 17 . 1 1 87 87 LEU N N 87 119.780 119.780 119.624 0.156 19773 4215 1 17 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.900 0.237 19773 4216 1 17 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.948 -1.122 19773 4217 1 17 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.870 -0.265 19773 4218 1 17 . 1 1 87 87 LEU H H 87 7.877 7.877 7.793 0.084 19773 4219 1 17 . 1 1 88 88 ALA N N 88 122.593 122.593 121.602 0.991 19773 4220 1 17 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.973 0.079 19773 4221 1 17 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.884 -0.863 19773 4222 1 17 . 1 1 88 88 ALA CB C 88 17.768 17.768 17.980 -0.211 19773 4223 1 17 . 1 1 88 88 ALA H H 88 8.020 8.020 7.514 0.506 19773 4224 1 17 . 1 1 89 89 LEU N N 89 120.028 120.028 119.035 0.993 19773 4225 1 17 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.808 0.244 19773 4226 1 17 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.305 -0.803 19773 4227 1 17 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.604 -0.066 19773 4228 1 17 . 1 1 89 89 LEU H H 89 8.021 8.021 7.471 0.550 19773 4229 1 17 . 1 1 90 90 LYS N N 90 120.483 120.483 118.284 2.199 19773 4230 1 17 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.283 -0.135 19773 4231 1 17 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.309 -0.752 19773 4232 1 17 . 1 1 90 90 LYS CB C 90 32.215 32.215 31.758 0.457 19773 4233 1 17 . 1 1 90 90 LYS H H 90 7.896 7.896 7.668 0.228 19773 4234 1 17 . 1 1 91 91 MET N N 91 119.156 119.156 120.406 -1.250 19773 4235 1 17 . 1 1 91 91 MET HA H 91 4.291 4.291 4.175 0.116 19773 4236 1 17 . 1 1 91 91 MET CA C 91 56.541 56.541 57.798 -1.257 19773 4237 1 17 . 1 1 91 91 MET H H 91 8.320 8.320 7.717 0.603 19773 4238 1 17 . 1 1 92 92 SER N N 92 116.382 116.382 115.910 0.472 19773 4239 1 17 . 1 1 92 92 SER HA H 92 4.291 4.291 4.150 0.141 19773 4240 1 17 . 1 1 92 92 SER CA C 92 59.584 59.584 62.325 -2.740 19773 4241 1 17 . 1 1 92 92 SER CB C 92 63.074 63.074 62.919 0.155 19773 4242 1 17 . 1 1 92 92 SER H H 92 8.297 8.297 7.924 0.373 19773 4243 1 17 . 1 1 93 93 GLU N N 93 122.202 122.202 121.667 0.535 19773 4244 1 17 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.937 0.198 19773 4245 1 17 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.145 -1.637 19773 4246 1 17 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.457 0.156 19773 4247 1 17 . 1 1 93 93 GLU H H 93 8.313 8.313 7.587 0.726 19773 4248 1 17 . 1 1 94 94 GLN N N 94 119.546 119.546 118.258 1.288 19773 4249 1 17 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.116 0.019 19773 4250 1 17 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.035 -1.158 19773 4251 1 17 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.465 0.361 19773 4252 1 17 . 1 1 94 94 GLN H H 94 8.177 8.177 8.143 0.034 19773 4253 1 17 . 1 1 95 95 GLU N N 95 121.030 121.030 118.507 2.523 19773 4254 1 17 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.211 -0.145 19773 4255 1 17 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.473 0.688 19773 4256 1 17 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.969 -0.063 19773 4257 1 17 . 1 1 95 95 GLU H H 95 8.281 8.281 7.751 0.530 19773 4258 1 17 . 1 1 96 96 ALA N N 96 123.530 123.530 119.691 3.839 19773 4259 1 17 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.022 0.161 19773 4260 1 17 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.061 -0.302 19773 4261 1 17 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.181 1.224 19773 4262 1 17 . 1 1 96 96 ALA H H 96 8.242 8.242 7.574 0.668 19773 4263 1 17 . 1 1 97 97 ARG N N 97 119.624 119.624 115.741 3.883 19773 4264 1 17 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.407 -0.198 19773 4265 1 17 . 1 1 97 97 ARG CA C 97 56.469 56.469 55.189 1.280 19773 4266 1 17 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.446 -0.805 19773 4267 1 17 . 1 1 97 97 ARG H H 97 8.131 8.131 7.963 0.168 19773 4268 1 17 . 1 1 98 98 GLU N N 98 121.837 121.837 117.220 4.617 19773 4269 1 17 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.005 0.172 19773 4270 1 17 . 1 1 98 98 GLU CA C 98 56.531 56.531 57.766 -1.235 19773 4271 1 17 . 1 1 98 98 GLU CB C 98 29.665 29.665 29.118 0.547 19773 4272 1 17 . 1 1 98 98 GLU H H 98 8.374 8.374 8.443 -0.069 19773 4273 1 17 . 1 1 99 99 VAL N N 99 121.265 121.265 122.078 -0.813 19773 4274 1 17 . 1 1 99 99 VAL HA H 99 3.974 3.974 3.977 -0.003 19773 4275 1 17 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.347 0.156 19773 4276 1 17 . 1 1 99 99 VAL CB C 99 32.457 32.457 31.989 0.468 19773 4277 1 17 . 1 1 99 99 VAL H H 99 8.261 8.261 8.322 -0.061 19773 4278 1 17 . 1 1 100 100 ASN N N 100 122.280 122.280 122.186 0.094 19773 4279 1 17 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.707 0.011 19773 4280 1 17 . 1 1 100 100 ASN CA C 100 53.117 53.117 52.990 0.127 19773 4281 1 17 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.597 -0.829 19773 4282 1 17 . 1 1 100 100 ASN H H 100 8.639 8.639 8.365 0.274 19773 4283 1 17 . 1 1 101 101 SER N N 101 117.046 117.046 123.838 -6.792 19773 4284 1 17 . 1 1 101 101 SER HA H 101 4.349 4.349 4.253 0.096 19773 4285 1 17 . 1 1 101 101 SER CA C 101 58.970 58.970 61.721 -2.751 19773 4286 1 17 . 1 1 101 101 SER CB C 101 63.397 63.397 62.785 0.612 19773 4287 1 17 . 1 1 101 101 SER H H 101 8.542 8.542 8.916 -0.374 19773 4288 1 17 . 1 1 102 102 GLN N N 102 122.514 122.514 121.438 1.076 19773 4289 1 17 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.037 0.166 19773 4290 1 17 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.413 -2.243 19773 4291 1 17 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.613 -0.224 19773 4292 1 17 . 1 1 102 102 GLN H H 102 8.594 8.594 8.503 0.091 19773 4293 1 17 . 1 1 103 103 GLU N N 103 120.874 120.874 118.597 2.277 19773 4294 1 17 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.228 -0.135 19773 4295 1 17 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.594 -1.601 19773 4296 1 17 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.043 0.446 19773 4297 1 17 . 1 1 103 103 GLU H H 103 8.496 8.496 8.543 -0.047 19773 4298 1 17 . 1 1 104 104 GLU N N 104 120.874 120.874 119.717 1.157 19773 4299 1 17 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.113 0.009 19773 4300 1 17 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.409 -1.562 19773 4301 1 17 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.487 0.156 19773 4302 1 17 . 1 1 104 104 GLU H H 104 8.379 8.379 8.043 0.336 19773 4303 1 17 . 1 1 105 105 GLU N N 105 121.421 121.421 119.286 2.135 19773 4304 1 17 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.075 0.046 19773 4305 1 17 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.508 -1.426 19773 4306 1 17 . 1 1 105 105 GLU H H 105 8.437 8.437 7.830 0.607 19773 4307 1 17 . 1 1 106 106 GLU N N 106 120.640 120.640 119.611 1.029 19773 4308 1 17 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.103 -0.099 19773 4309 1 17 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.403 -0.728 19773 4310 1 17 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.360 -0.040 19773 4311 1 17 . 1 1 106 106 GLU H H 106 8.463 8.463 7.854 0.609 19773 4312 1 17 . 1 1 107 107 GLU N N 107 120.249 120.249 119.766 0.483 19773 4313 1 17 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.022 0.023 19773 4314 1 17 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.371 -0.369 19773 4315 1 17 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.735 -0.699 19773 4316 1 17 . 1 1 107 107 GLU H H 107 8.385 8.385 8.377 0.008 19773 4317 1 17 . 1 1 108 108 GLU N N 108 120.902 120.902 120.755 0.147 19773 4318 1 17 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.247 -0.119 19773 4319 1 17 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.045 -0.643 19773 4320 1 17 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.347 -0.527 19773 4321 1 17 . 1 1 108 108 GLU H H 108 8.125 8.125 8.459 -0.334 19773 4322 1 17 . 1 1 109 109 LEU N N 109 120.327 120.327 119.879 0.448 19773 4323 1 17 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.045 -0.051 19773 4324 1 17 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.700 -0.240 19773 4325 1 17 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.815 -0.330 19773 4326 1 17 . 1 1 109 109 LEU H H 109 8.085 8.085 7.862 0.223 19773 4327 1 17 . 1 1 110 110 LEU N N 110 121.108 121.108 120.133 0.975 19773 4328 1 17 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.959 0.196 19773 4329 1 17 . 1 1 110 110 LEU CA C 110 57.197 57.197 57.955 -0.758 19773 4330 1 17 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.544 -0.072 19773 4331 1 17 . 1 1 110 110 LEU H H 110 7.948 7.948 7.952 -0.004 19773 4332 1 17 . 1 1 111 111 ARG N N 111 119.390 119.390 119.057 0.333 19773 4333 1 17 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.818 0.084 19773 4334 1 17 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.839 -0.826 19773 4335 1 17 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.018 -0.053 19773 4336 1 17 . 1 1 111 111 ARG H H 111 8.111 8.111 8.165 -0.054 19773 4337 1 17 . 1 1 112 112 LYS N N 112 120.418 120.418 119.064 1.354 19773 4338 1 17 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.990 0.069 19773 4339 1 17 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.499 -0.784 19773 4340 1 17 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.193 0.250 19773 4341 1 17 . 1 1 112 112 LYS H H 112 8.273 8.273 7.804 0.469 19773 4342 1 17 . 1 1 113 113 ALA N N 113 122.758 122.758 123.007 -0.249 19773 4343 1 17 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.084 0.085 19773 4344 1 17 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.140 -0.847 19773 4345 1 17 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.169 -0.116 19773 4346 1 17 . 1 1 113 113 ALA H H 113 7.978 7.978 7.869 0.109 19773 4347 1 17 . 1 1 114 114 ILE N N 114 120.171 120.171 118.610 1.561 19773 4348 1 17 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.716 0.050 19773 4349 1 17 . 1 1 114 114 ILE CA C 114 63.420 63.420 62.895 0.525 19773 4350 1 17 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.517 1.561 19773 4351 1 17 . 1 1 114 114 ILE H H 114 8.229 8.229 7.838 0.391 19773 4352 1 17 . 1 1 115 115 ALA N N 115 123.999 123.999 122.924 1.075 19773 4353 1 17 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.914 0.193 19773 4354 1 17 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.491 -1.170 19773 4355 1 17 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.306 -0.252 19773 4356 1 17 . 1 1 115 115 ALA H H 115 8.072 8.072 7.944 0.128 19773 4357 1 17 . 1 1 116 116 GLU N N 116 118.140 118.140 117.824 0.316 19773 4358 1 17 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.001 0.119 19773 4359 1 17 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.843 -1.067 19773 4360 1 17 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.268 0.043 19773 4361 1 17 . 1 1 116 116 GLU H H 116 8.313 8.313 8.190 0.123 19773 4362 1 17 . 1 1 117 117 SER N N 117 115.640 115.640 115.433 0.207 19773 4363 1 17 . 1 1 117 117 SER HA H 117 4.291 4.291 4.170 0.121 19773 4364 1 17 . 1 1 117 117 SER CA C 117 59.647 59.647 61.417 -1.770 19773 4365 1 17 . 1 1 117 117 SER CB C 117 63.022 63.022 63.010 0.012 19773 4366 1 17 . 1 1 117 117 SER H H 117 8.040 8.040 7.815 0.225 19773 4367 1 17 . 1 1 118 118 LEU N N 118 122.593 122.593 119.802 2.791 19773 4368 1 17 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.084 0.140 19773 4369 1 17 . 1 1 118 118 LEU CA C 118 55.875 55.875 57.087 -1.212 19773 4370 1 17 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.167 -0.373 19773 4371 1 17 . 1 1 118 118 LEU H H 118 7.968 7.968 7.733 0.235 19773 4372 1 17 . 1 1 119 119 ASN N N 119 117.828 117.828 114.090 3.738 19773 4373 1 17 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.760 -0.126 19773 4374 1 17 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.483 0.049 19773 4375 1 17 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.042 -0.497 19773 4376 1 17 . 1 1 119 119 ASN H H 119 8.183 8.183 7.690 0.493 19773 4377 1 17 . 1 1 120 120 SER N N 120 115.484 115.484 115.389 0.095 19773 4378 1 17 . 1 1 120 120 SER HA H 120 4.332 4.332 4.397 -0.065 19773 4379 1 17 . 1 1 120 120 SER CA C 120 58.417 58.417 58.576 -0.159 19773 4380 1 17 . 1 1 120 120 SER CB C 120 63.386 63.386 63.857 -0.471 19773 4381 1 17 . 1 1 120 120 SER H H 120 8.183 8.183 7.554 0.629 19773 4382 1 17 . 1 1 121 121 CYS N N 121 123.139 123.139 123.301 -0.162 19773 4383 1 17 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.719 -2.821 19773 4384 1 17 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.867 1.697 19773 4385 1 17 . 1 1 121 121 CYS H H 121 8.450 8.450 8.422 0.028 19773 4386 1 17 . 1 1 124 124 SER N N 124 116.031 116.031 118.300 -2.269 19773 4387 1 17 . 1 1 124 124 SER HA H 124 4.311 4.311 4.386 -0.075 19773 4388 1 17 . 1 1 124 124 SER CA C 124 58.360 58.360 58.656 -0.296 19773 4389 1 17 . 1 1 124 124 SER CB C 124 63.486 63.486 63.512 -0.026 19773 4390 1 17 . 1 1 124 124 SER H H 124 8.587 8.587 8.317 0.270 19773 4391 1 17 . 1 1 125 125 ASP N N 125 122.514 122.514 123.611 -1.097 19773 4392 1 17 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.637 -0.082 19773 4393 1 17 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.748 -0.732 19773 4394 1 17 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.573 -0.709 19773 4395 1 17 . 1 1 125 125 ASP H H 125 8.424 8.424 8.505 -0.081 19773 4396 1 17 . 1 1 126 126 ALA N N 126 124.858 124.858 127.739 -2.881 19773 4397 1 17 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.084 0.139 19773 4398 1 17 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.248 -1.493 19773 4399 1 17 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.951 -0.256 19773 4400 1 17 . 1 1 126 126 ALA H H 126 8.398 8.398 8.506 -0.108 19773 4401 1 17 . 1 1 127 127 SER N N 127 114.781 114.781 113.308 1.473 19773 4402 1 17 . 1 1 127 127 SER HA H 127 4.296 4.296 4.341 -0.045 19773 4403 1 17 . 1 1 127 127 SER CA C 127 58.476 58.476 57.789 0.687 19773 4404 1 17 . 1 1 127 127 SER CB C 127 63.408 63.408 63.328 0.080 19773 4405 1 17 . 1 1 127 127 SER H H 127 8.398 8.398 7.921 0.477 19773 4406 1 17 . 1 1 128 128 ALA N N 128 125.639 125.639 120.768 4.871 19773 4407 1 17 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.117 0.169 19773 4408 1 17 . 1 1 128 128 ALA CA C 128 52.412 52.412 52.639 -0.227 19773 4409 1 17 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.017 1.983 19773 4410 1 17 . 1 1 128 128 ALA H H 128 8.261 8.261 7.314 0.947 19773 4411 1 17 . 1 1 129 129 THR N N 129 113.687 113.687 113.730 -0.043 19773 4412 1 17 . 1 1 129 129 THR HA H 129 4.223 4.223 4.248 -0.025 19773 4413 1 17 . 1 1 129 129 THR CA C 129 61.793 61.793 61.632 0.161 19773 4414 1 17 . 1 1 129 129 THR CB C 129 69.378 69.378 69.426 -0.048 19773 4415 1 17 . 1 1 129 129 THR H H 129 8.196 8.196 7.771 0.425 19773 4416 1 17 . 1 1 130 130 ARG N N 130 124.467 124.467 126.132 -1.665 19773 4417 1 17 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.486 -0.113 19773 4418 1 17 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.671 -1.103 19773 4419 1 17 . 1 1 130 130 ARG CB C 130 30.647 30.647 31.213 -0.566 19773 4420 1 17 . 1 1 130 130 ARG H H 130 8.450 8.450 8.632 -0.182 19773 4421 1 18 . 1 1 -2 -2 LEU N N -2 122.671 122.671 115.623 7.048 19773 4422 1 18 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.439 -0.161 19773 4423 1 18 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.260 0.025 19773 4424 1 18 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 43.298 -1.460 19773 4425 1 18 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.636 1.062 19773 4426 1 18 . 1 1 -1 -1 GLY N N -1 109.817 109.817 108.334 1.483 19773 4427 1 18 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.477 0.621 19773 4428 1 18 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.750 0.785 19773 4429 1 18 . 1 1 75 75 LYS N N 75 122.983 122.983 120.182 2.801 19773 4430 1 18 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.332 -0.116 19773 4431 1 18 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.810 -0.439 19773 4432 1 18 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.189 -0.701 19773 4433 1 18 . 1 1 75 75 LYS H H 75 8.411 8.411 8.014 0.397 19773 4434 1 18 . 1 1 76 76 ILE N N 76 122.749 122.749 122.092 0.657 19773 4435 1 18 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.055 0.004 19773 4436 1 18 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.074 0.107 19773 4437 1 18 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.058 0.313 19773 4438 1 18 . 1 1 76 76 ILE H H 76 8.242 8.242 7.026 1.216 19773 4439 1 18 . 1 1 77 77 ALA N N 77 127.358 127.358 131.027 -3.669 19773 4440 1 18 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.329 -0.146 19773 4441 1 18 . 1 1 77 77 ALA CA C 77 52.609 52.609 52.308 0.301 19773 4442 1 18 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.415 -0.603 19773 4443 1 18 . 1 1 77 77 ALA H H 77 8.463 8.463 8.344 0.119 19773 4444 1 18 . 1 1 78 78 GLN N N 78 119.077 119.077 121.454 -2.377 19773 4445 1 18 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.353 -0.139 19773 4446 1 18 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.355 0.241 19773 4447 1 18 . 1 1 78 78 GLN CB C 78 29.016 29.016 30.147 -1.131 19773 4448 1 18 . 1 1 78 78 GLN H H 78 8.359 8.359 8.354 0.005 19773 4449 1 18 . 1 1 79 79 MET N N 79 121.781 121.781 122.868 -1.087 19773 4450 1 18 . 1 1 79 79 MET HA H 79 4.450 4.450 4.565 -0.115 19773 4451 1 18 . 1 1 79 79 MET CA C 79 55.906 55.906 55.283 0.623 19773 4452 1 18 . 1 1 79 79 MET CB C 79 34.019 34.019 32.988 1.031 19773 4453 1 18 . 1 1 79 79 MET H H 79 8.360 8.360 8.347 0.013 19773 4454 1 18 . 1 1 83 83 GLU N N 83 120.249 120.249 121.477 -1.228 19773 4455 1 18 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.101 -0.045 19773 4456 1 18 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.904 -0.103 19773 4457 1 18 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.597 -0.282 19773 4458 1 18 . 1 1 83 83 GLU H H 83 8.776 8.776 8.707 0.069 19773 4459 1 18 . 1 1 84 84 GLN N N 84 119.958 119.958 118.849 1.109 19773 4460 1 18 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.108 -0.123 19773 4461 1 18 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.311 -0.403 19773 4462 1 18 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.511 -0.121 19773 4463 1 18 . 1 1 84 84 GLN H H 84 8.037 8.037 7.634 0.403 19773 4464 1 18 . 1 1 85 85 PHE N N 85 121.733 121.733 120.940 0.793 19773 4465 1 18 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.099 0.206 19773 4466 1 18 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.089 -0.833 19773 4467 1 18 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.851 -0.135 19773 4468 1 18 . 1 1 85 85 PHE H H 85 8.652 8.652 8.169 0.483 19773 4469 1 18 . 1 1 86 86 ALA N N 86 121.811 121.811 122.298 -0.487 19773 4470 1 18 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.932 0.120 19773 4471 1 18 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.103 -0.788 19773 4472 1 18 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.138 -0.064 19773 4473 1 18 . 1 1 86 86 ALA H H 86 8.209 8.209 7.898 0.311 19773 4474 1 18 . 1 1 87 87 LEU N N 87 119.780 119.780 119.394 0.386 19773 4475 1 18 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.946 0.191 19773 4476 1 18 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.747 -0.921 19773 4477 1 18 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.393 0.212 19773 4478 1 18 . 1 1 87 87 LEU H H 87 7.877 7.877 7.754 0.123 19773 4479 1 18 . 1 1 88 88 ALA N N 88 122.593 122.593 122.091 0.502 19773 4480 1 18 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.982 0.070 19773 4481 1 18 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.752 -0.731 19773 4482 1 18 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.113 -0.344 19773 4483 1 18 . 1 1 88 88 ALA H H 88 8.020 8.020 7.646 0.374 19773 4484 1 18 . 1 1 89 89 LEU N N 89 120.028 120.028 118.352 1.676 19773 4485 1 18 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.822 0.230 19773 4486 1 18 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.212 -0.709 19773 4487 1 18 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.381 0.157 19773 4488 1 18 . 1 1 89 89 LEU H H 89 8.021 8.021 7.511 0.510 19773 4489 1 18 . 1 1 90 90 LYS N N 90 120.483 120.483 119.130 1.353 19773 4490 1 18 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.241 -0.093 19773 4491 1 18 . 1 1 90 90 LYS CA C 90 57.557 57.557 58.879 -1.322 19773 4492 1 18 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.155 0.060 19773 4493 1 18 . 1 1 90 90 LYS H H 90 7.896 7.896 7.506 0.390 19773 4494 1 18 . 1 1 91 91 MET N N 91 119.156 119.156 118.525 0.631 19773 4495 1 18 . 1 1 91 91 MET HA H 91 4.291 4.291 4.101 0.190 19773 4496 1 18 . 1 1 91 91 MET CA C 91 56.541 56.541 59.248 -2.707 19773 4497 1 18 . 1 1 91 91 MET H H 91 8.320 8.320 8.064 0.256 19773 4498 1 18 . 1 1 92 92 SER N N 92 116.382 116.382 115.219 1.163 19773 4499 1 18 . 1 1 92 92 SER HA H 92 4.291 4.291 4.124 0.167 19773 4500 1 18 . 1 1 92 92 SER CA C 92 59.584 59.584 61.473 -1.889 19773 4501 1 18 . 1 1 92 92 SER CB C 92 63.074 63.074 62.880 0.194 19773 4502 1 18 . 1 1 92 92 SER H H 92 8.297 8.297 7.864 0.433 19773 4503 1 18 . 1 1 93 93 GLU N N 93 122.202 122.202 121.839 0.363 19773 4504 1 18 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.995 0.140 19773 4505 1 18 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.972 -1.464 19773 4506 1 18 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.403 0.210 19773 4507 1 18 . 1 1 93 93 GLU H H 93 8.313 8.313 7.681 0.631 19773 4508 1 18 . 1 1 94 94 GLN N N 94 119.546 119.546 118.271 1.275 19773 4509 1 18 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.074 0.061 19773 4510 1 18 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.415 -1.538 19773 4511 1 18 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.995 -0.169 19773 4512 1 18 . 1 1 94 94 GLN H H 94 8.177 8.177 7.556 0.621 19773 4513 1 18 . 1 1 95 95 GLU N N 95 121.030 121.030 115.742 5.288 19773 4514 1 18 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.366 -0.300 19773 4515 1 18 . 1 1 95 95 GLU CA C 95 57.161 57.161 55.915 1.246 19773 4516 1 18 . 1 1 95 95 GLU CB C 95 29.906 29.906 30.123 -0.217 19773 4517 1 18 . 1 1 95 95 GLU H H 95 8.281 8.281 7.578 0.703 19773 4518 1 18 . 1 1 96 96 ALA N N 96 123.530 123.530 121.160 2.370 19773 4519 1 18 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.986 0.197 19773 4520 1 18 . 1 1 96 96 ALA CA C 96 52.759 52.759 54.629 -1.870 19773 4521 1 18 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.756 0.649 19773 4522 1 18 . 1 1 96 96 ALA H H 96 8.242 8.242 7.993 0.249 19773 4523 1 18 . 1 1 97 97 ARG N N 97 119.624 119.624 118.160 1.464 19773 4524 1 18 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.452 -0.243 19773 4525 1 18 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.241 -0.772 19773 4526 1 18 . 1 1 97 97 ARG CB C 97 30.641 30.641 31.001 -0.360 19773 4527 1 18 . 1 1 97 97 ARG H H 97 8.131 8.131 8.339 -0.208 19773 4528 1 18 . 1 1 98 98 GLU N N 98 121.837 121.837 118.346 3.491 19773 4529 1 18 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.358 -0.181 19773 4530 1 18 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.963 -0.432 19773 4531 1 18 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.659 -0.994 19773 4532 1 18 . 1 1 98 98 GLU H H 98 8.374 8.374 8.481 -0.107 19773 4533 1 18 . 1 1 99 99 VAL N N 99 121.265 121.265 121.858 -0.593 19773 4534 1 18 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.126 -0.152 19773 4535 1 18 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.855 0.648 19773 4536 1 18 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.381 0.076 19773 4537 1 18 . 1 1 99 99 VAL H H 99 8.261 8.261 7.753 0.508 19773 4538 1 18 . 1 1 100 100 ASN N N 100 122.280 122.280 121.049 1.231 19773 4539 1 18 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.681 0.037 19773 4540 1 18 . 1 1 100 100 ASN CA C 100 53.117 53.117 52.949 0.168 19773 4541 1 18 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.045 -0.277 19773 4542 1 18 . 1 1 100 100 ASN H H 100 8.639 8.639 8.467 0.172 19773 4543 1 18 . 1 1 101 101 SER N N 101 117.046 117.046 123.071 -6.025 19773 4544 1 18 . 1 1 101 101 SER HA H 101 4.349 4.349 4.170 0.179 19773 4545 1 18 . 1 1 101 101 SER CA C 101 58.970 58.970 61.156 -2.186 19773 4546 1 18 . 1 1 101 101 SER CB C 101 63.397 63.397 62.977 0.419 19773 4547 1 18 . 1 1 101 101 SER H H 101 8.542 8.542 8.960 -0.418 19773 4548 1 18 . 1 1 102 102 GLN N N 102 122.514 122.514 120.891 1.623 19773 4549 1 18 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.328 -0.125 19773 4550 1 18 . 1 1 102 102 GLN CA C 102 57.170 57.170 58.588 -1.418 19773 4551 1 18 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.039 0.350 19773 4552 1 18 . 1 1 102 102 GLN H H 102 8.594 8.594 9.272 -0.678 19773 4553 1 18 . 1 1 103 103 GLU N N 103 120.874 120.874 120.718 0.156 19773 4554 1 18 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.059 0.034 19773 4555 1 18 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.566 -1.573 19773 4556 1 18 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.343 0.145 19773 4557 1 18 . 1 1 103 103 GLU H H 103 8.496 8.496 7.697 0.799 19773 4558 1 18 . 1 1 104 104 GLU N N 104 120.874 120.874 119.312 1.562 19773 4559 1 18 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.030 0.092 19773 4560 1 18 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.380 -1.533 19773 4561 1 18 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.521 0.122 19773 4562 1 18 . 1 1 104 104 GLU H H 104 8.379 8.379 7.601 0.778 19773 4563 1 18 . 1 1 105 105 GLU N N 105 121.421 121.421 119.678 1.743 19773 4564 1 18 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.021 0.100 19773 4565 1 18 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.297 -1.216 19773 4566 1 18 . 1 1 105 105 GLU H H 105 8.437 8.437 7.895 0.542 19773 4567 1 18 . 1 1 106 106 GLU N N 106 120.640 120.640 120.086 0.554 19773 4568 1 18 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.981 0.023 19773 4569 1 18 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.580 -0.905 19773 4570 1 18 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.569 -0.248 19773 4571 1 18 . 1 1 106 106 GLU H H 106 8.463 8.463 7.986 0.477 19773 4572 1 18 . 1 1 107 107 GLU N N 107 120.249 120.249 118.560 1.689 19773 4573 1 18 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.012 0.033 19773 4574 1 18 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.330 -0.328 19773 4575 1 18 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.210 -0.174 19773 4576 1 18 . 1 1 107 107 GLU H H 107 8.385 8.385 7.827 0.558 19773 4577 1 18 . 1 1 108 108 GLU N N 108 120.902 120.902 120.587 0.315 19773 4578 1 18 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.089 0.039 19773 4579 1 18 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.258 -0.856 19773 4580 1 18 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.589 -0.769 19773 4581 1 18 . 1 1 108 108 GLU H H 108 8.125 8.125 7.751 0.374 19773 4582 1 18 . 1 1 109 109 LEU N N 109 120.327 120.327 120.116 0.211 19773 4583 1 18 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.010 -0.016 19773 4584 1 18 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.640 -0.180 19773 4585 1 18 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.785 -0.300 19773 4586 1 18 . 1 1 109 109 LEU H H 109 8.085 8.085 8.143 -0.058 19773 4587 1 18 . 1 1 110 110 LEU N N 110 121.108 121.108 120.461 0.647 19773 4588 1 18 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.948 0.207 19773 4589 1 18 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.253 -1.056 19773 4590 1 18 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.572 -0.100 19773 4591 1 18 . 1 1 110 110 LEU H H 110 7.948 7.948 8.062 -0.114 19773 4592 1 18 . 1 1 111 111 ARG N N 111 119.390 119.390 118.511 0.879 19773 4593 1 18 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.995 -0.093 19773 4594 1 18 . 1 1 111 111 ARG CA C 111 59.013 59.013 58.868 0.145 19773 4595 1 18 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.587 0.378 19773 4596 1 18 . 1 1 111 111 ARG H H 111 8.111 8.111 7.843 0.268 19773 4597 1 18 . 1 1 112 112 LYS N N 112 120.418 120.418 120.657 -0.239 19773 4598 1 18 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.018 0.041 19773 4599 1 18 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.502 -0.787 19773 4600 1 18 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.428 0.015 19773 4601 1 18 . 1 1 112 112 LYS H H 112 8.273 8.273 8.102 0.171 19773 4602 1 18 . 1 1 113 113 ALA N N 113 122.758 122.758 122.234 0.524 19773 4603 1 18 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.115 0.054 19773 4604 1 18 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.940 -0.647 19773 4605 1 18 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.414 -0.361 19773 4606 1 18 . 1 1 113 113 ALA H H 113 7.978 7.978 8.085 -0.107 19773 4607 1 18 . 1 1 114 114 ILE N N 114 120.171 120.171 119.437 0.734 19773 4608 1 18 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.707 0.059 19773 4609 1 18 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.051 -1.631 19773 4610 1 18 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.853 0.225 19773 4611 1 18 . 1 1 114 114 ILE H H 114 8.229 8.229 7.696 0.533 19773 4612 1 18 . 1 1 115 115 ALA N N 115 123.999 123.999 121.996 2.003 19773 4613 1 18 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.916 0.191 19773 4614 1 18 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.416 -1.095 19773 4615 1 18 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.980 0.075 19773 4616 1 18 . 1 1 115 115 ALA H H 115 8.072 8.072 8.034 0.038 19773 4617 1 18 . 1 1 116 116 GLU N N 116 118.140 118.140 118.676 -0.536 19773 4618 1 18 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.975 0.145 19773 4619 1 18 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.360 -1.584 19773 4620 1 18 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.705 -0.394 19773 4621 1 18 . 1 1 116 116 GLU H H 116 8.313 8.313 8.355 -0.042 19773 4622 1 18 . 1 1 117 117 SER N N 117 115.640 115.640 115.010 0.630 19773 4623 1 18 . 1 1 117 117 SER HA H 117 4.291 4.291 4.181 0.110 19773 4624 1 18 . 1 1 117 117 SER CA C 117 59.647 59.647 61.411 -1.764 19773 4625 1 18 . 1 1 117 117 SER CB C 117 63.022 63.022 63.287 -0.265 19773 4626 1 18 . 1 1 117 117 SER H H 117 8.040 8.040 7.907 0.133 19773 4627 1 18 . 1 1 118 118 LEU N N 118 122.593 122.593 119.675 2.918 19773 4628 1 18 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.087 0.137 19773 4629 1 18 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.738 -0.863 19773 4630 1 18 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.049 -0.255 19773 4631 1 18 . 1 1 118 118 LEU H H 118 7.968 7.968 7.628 0.340 19773 4632 1 18 . 1 1 119 119 ASN N N 119 117.828 117.828 114.259 3.569 19773 4633 1 18 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.654 -0.020 19773 4634 1 18 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.005 -0.472 19773 4635 1 18 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.716 -0.171 19773 4636 1 18 . 1 1 119 119 ASN H H 119 8.183 8.183 7.810 0.373 19773 4637 1 18 . 1 1 120 120 SER N N 120 115.484 115.484 116.712 -1.228 19773 4638 1 18 . 1 1 120 120 SER HA H 120 4.332 4.332 4.385 -0.053 19773 4639 1 18 . 1 1 120 120 SER CA C 120 58.417 58.417 58.529 -0.112 19773 4640 1 18 . 1 1 120 120 SER CB C 120 63.386 63.386 64.134 -0.748 19773 4641 1 18 . 1 1 120 120 SER H H 120 8.183 8.183 7.722 0.461 19773 4642 1 18 . 1 1 121 121 CYS N N 121 123.139 123.139 124.354 -1.215 19773 4643 1 18 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.292 -2.394 19773 4644 1 18 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.360 1.204 19773 4645 1 18 . 1 1 121 121 CYS H H 121 8.450 8.450 8.212 0.238 19773 4646 1 18 . 1 1 124 124 SER N N 124 116.031 116.031 118.421 -2.390 19773 4647 1 18 . 1 1 124 124 SER HA H 124 4.311 4.311 4.488 -0.177 19773 4648 1 18 . 1 1 124 124 SER CA C 124 58.360 58.360 58.618 -0.258 19773 4649 1 18 . 1 1 124 124 SER CB C 124 63.486 63.486 63.881 -0.395 19773 4650 1 18 . 1 1 124 124 SER H H 124 8.587 8.587 8.243 0.344 19773 4651 1 18 . 1 1 125 125 ASP N N 125 122.514 122.514 123.948 -1.434 19773 4652 1 18 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.692 -0.138 19773 4653 1 18 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.133 -0.117 19773 4654 1 18 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.694 -0.830 19773 4655 1 18 . 1 1 125 125 ASP H H 125 8.424 8.424 8.449 -0.025 19773 4656 1 18 . 1 1 126 126 ALA N N 126 124.858 124.858 126.607 -1.749 19773 4657 1 18 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.094 0.129 19773 4658 1 18 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.321 -1.566 19773 4659 1 18 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.818 -0.123 19773 4660 1 18 . 1 1 126 126 ALA H H 126 8.398 8.398 8.647 -0.249 19773 4661 1 18 . 1 1 127 127 SER N N 127 114.781 114.781 114.150 0.631 19773 4662 1 18 . 1 1 127 127 SER HA H 127 4.296 4.296 4.344 -0.048 19773 4663 1 18 . 1 1 127 127 SER CA C 127 58.476 58.476 58.202 0.274 19773 4664 1 18 . 1 1 127 127 SER CB C 127 63.408 63.408 63.405 0.003 19773 4665 1 18 . 1 1 127 127 SER H H 127 8.398 8.398 7.992 0.406 19773 4666 1 18 . 1 1 128 128 ALA N N 128 125.639 125.639 120.190 5.449 19773 4667 1 18 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.145 0.141 19773 4668 1 18 . 1 1 128 128 ALA CA C 128 52.412 52.412 52.836 -0.424 19773 4669 1 18 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.026 1.974 19773 4670 1 18 . 1 1 128 128 ALA H H 128 8.261 8.261 7.387 0.874 19773 4671 1 18 . 1 1 129 129 THR N N 129 113.687 113.687 114.026 -0.339 19773 4672 1 18 . 1 1 129 129 THR HA H 129 4.223 4.223 4.325 -0.102 19773 4673 1 18 . 1 1 129 129 THR CA C 129 61.793 61.793 61.468 0.325 19773 4674 1 18 . 1 1 129 129 THR CB C 129 69.378 69.378 69.467 -0.089 19773 4675 1 18 . 1 1 129 129 THR H H 129 8.196 8.196 7.750 0.446 19773 4676 1 18 . 1 1 130 130 ARG N N 130 124.467 124.467 127.096 -2.629 19773 4677 1 18 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.308 0.065 19773 4678 1 18 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.661 -1.093 19773 4679 1 18 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.725 -0.078 19773 4680 1 18 . 1 1 130 130 ARG H H 130 8.450 8.450 8.583 -0.133 19773 4681 1 19 . 1 1 -2 -2 LEU N N -2 122.671 122.671 121.928 0.743 19773 4682 1 19 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.350 -0.072 19773 4683 1 19 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.332 -0.047 19773 4684 1 19 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.258 -0.420 19773 4685 1 19 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.607 1.091 19773 4686 1 19 . 1 1 -1 -1 GLY N N -1 109.817 109.817 113.153 -3.336 19773 4687 1 19 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.441 0.657 19773 4688 1 19 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.319 0.216 19773 4689 1 19 . 1 1 75 75 LYS N N 75 122.983 122.983 119.984 2.999 19773 4690 1 19 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.291 -0.075 19773 4691 1 19 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.319 0.052 19773 4692 1 19 . 1 1 75 75 LYS CB C 75 32.488 32.488 32.904 -0.416 19773 4693 1 19 . 1 1 75 75 LYS H H 75 8.411 8.411 7.777 0.634 19773 4694 1 19 . 1 1 76 76 ILE N N 76 122.749 122.749 121.887 0.862 19773 4695 1 19 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.027 0.032 19773 4696 1 19 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.277 -0.096 19773 4697 1 19 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.286 0.085 19773 4698 1 19 . 1 1 76 76 ILE H H 76 8.242 8.242 7.486 0.756 19773 4699 1 19 . 1 1 77 77 ALA N N 77 127.358 127.358 131.623 -4.265 19773 4700 1 19 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.569 -0.386 19773 4701 1 19 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.524 1.085 19773 4702 1 19 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.150 -0.338 19773 4703 1 19 . 1 1 77 77 ALA H H 77 8.463 8.463 8.505 -0.042 19773 4704 1 19 . 1 1 78 78 GLN N N 78 119.077 119.077 123.293 -4.216 19773 4705 1 19 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.364 -0.150 19773 4706 1 19 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.189 0.407 19773 4707 1 19 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.813 -0.797 19773 4708 1 19 . 1 1 78 78 GLN H H 78 8.359 8.359 8.488 -0.129 19773 4709 1 19 . 1 1 79 79 MET N N 79 121.781 121.781 123.200 -1.419 19773 4710 1 19 . 1 1 79 79 MET HA H 79 4.450 4.450 4.666 -0.216 19773 4711 1 19 . 1 1 79 79 MET CA C 79 55.906 55.906 55.298 0.608 19773 4712 1 19 . 1 1 79 79 MET CB C 79 34.019 34.019 33.251 0.768 19773 4713 1 19 . 1 1 79 79 MET H H 79 8.360 8.360 8.360 -0.000 19773 4714 1 19 . 1 1 83 83 GLU N N 83 120.249 120.249 121.573 -1.324 19773 4715 1 19 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.096 -0.040 19773 4716 1 19 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.848 -0.047 19773 4717 1 19 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.693 -0.378 19773 4718 1 19 . 1 1 83 83 GLU H H 83 8.776 8.776 8.715 0.061 19773 4719 1 19 . 1 1 84 84 GLN N N 84 119.958 119.958 119.178 0.780 19773 4720 1 19 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.051 -0.066 19773 4721 1 19 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.668 -0.760 19773 4722 1 19 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.800 -0.410 19773 4723 1 19 . 1 1 84 84 GLN H H 84 8.037 8.037 7.652 0.385 19773 4724 1 19 . 1 1 85 85 PHE N N 85 121.733 121.733 120.899 0.834 19773 4725 1 19 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.181 0.124 19773 4726 1 19 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.065 -0.809 19773 4727 1 19 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.150 -0.434 19773 4728 1 19 . 1 1 85 85 PHE H H 85 8.652 8.652 8.470 0.182 19773 4729 1 19 . 1 1 86 86 ALA N N 86 121.811 121.811 122.210 -0.399 19773 4730 1 19 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.941 0.111 19773 4731 1 19 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.081 -0.766 19773 4732 1 19 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.111 -0.037 19773 4733 1 19 . 1 1 86 86 ALA H H 86 8.209 8.209 8.158 0.051 19773 4734 1 19 . 1 1 87 87 LEU N N 87 119.780 119.780 118.952 0.828 19773 4735 1 19 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.857 0.280 19773 4736 1 19 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.741 -0.915 19773 4737 1 19 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.593 0.013 19773 4738 1 19 . 1 1 87 87 LEU H H 87 7.877 7.877 7.854 0.023 19773 4739 1 19 . 1 1 88 88 ALA N N 88 122.593 122.593 122.271 0.322 19773 4740 1 19 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.953 0.099 19773 4741 1 19 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.782 -0.761 19773 4742 1 19 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.182 -0.414 19773 4743 1 19 . 1 1 88 88 ALA H H 88 8.020 8.020 7.557 0.463 19773 4744 1 19 . 1 1 89 89 LEU N N 89 120.028 120.028 118.496 1.532 19773 4745 1 19 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.836 0.216 19773 4746 1 19 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.799 -1.297 19773 4747 1 19 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.249 0.289 19773 4748 1 19 . 1 1 89 89 LEU H H 89 8.021 8.021 7.428 0.593 19773 4749 1 19 . 1 1 90 90 LYS N N 90 120.483 120.483 119.686 0.797 19773 4750 1 19 . 1 1 90 90 LYS HA H 90 4.148 4.148 3.994 0.154 19773 4751 1 19 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.419 -1.861 19773 4752 1 19 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.309 -0.094 19773 4753 1 19 . 1 1 90 90 LYS H H 90 7.896 7.896 7.556 0.340 19773 4754 1 19 . 1 1 91 91 MET N N 91 119.156 119.156 118.786 0.370 19773 4755 1 19 . 1 1 91 91 MET HA H 91 4.291 4.291 4.402 -0.111 19773 4756 1 19 . 1 1 91 91 MET CA C 91 56.541 56.541 58.981 -2.440 19773 4757 1 19 . 1 1 91 91 MET H H 91 8.320 8.320 8.319 0.001 19773 4758 1 19 . 1 1 92 92 SER N N 92 116.382 116.382 115.638 0.744 19773 4759 1 19 . 1 1 92 92 SER HA H 92 4.291 4.291 4.126 0.165 19773 4760 1 19 . 1 1 92 92 SER CA C 92 59.584 59.584 61.526 -1.942 19773 4761 1 19 . 1 1 92 92 SER CB C 92 63.074 63.074 62.934 0.140 19773 4762 1 19 . 1 1 92 92 SER H H 92 8.297 8.297 7.775 0.522 19773 4763 1 19 . 1 1 93 93 GLU N N 93 122.202 122.202 120.702 1.500 19773 4764 1 19 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.929 0.206 19773 4765 1 19 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.231 -1.724 19773 4766 1 19 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.561 0.053 19773 4767 1 19 . 1 1 93 93 GLU H H 93 8.313 8.313 7.769 0.544 19773 4768 1 19 . 1 1 94 94 GLN N N 94 119.546 119.546 118.602 0.944 19773 4769 1 19 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.078 0.057 19773 4770 1 19 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.307 -1.430 19773 4771 1 19 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.724 0.103 19773 4772 1 19 . 1 1 94 94 GLN H H 94 8.177 8.177 7.683 0.494 19773 4773 1 19 . 1 1 95 95 GLU N N 95 121.030 121.030 116.497 4.533 19773 4774 1 19 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.205 -0.139 19773 4775 1 19 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.531 0.630 19773 4776 1 19 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.729 0.177 19773 4777 1 19 . 1 1 95 95 GLU H H 95 8.281 8.281 7.665 0.616 19773 4778 1 19 . 1 1 96 96 ALA N N 96 123.530 123.530 119.131 4.399 19773 4779 1 19 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.997 0.186 19773 4780 1 19 . 1 1 96 96 ALA CA C 96 52.759 52.759 52.410 0.349 19773 4781 1 19 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.806 0.599 19773 4782 1 19 . 1 1 96 96 ALA H H 96 8.242 8.242 7.463 0.779 19773 4783 1 19 . 1 1 97 97 ARG N N 97 119.624 119.624 118.619 1.005 19773 4784 1 19 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.833 0.376 19773 4785 1 19 . 1 1 97 97 ARG CA C 97 56.469 56.469 57.130 -0.661 19773 4786 1 19 . 1 1 97 97 ARG CB C 97 30.641 30.641 29.072 1.569 19773 4787 1 19 . 1 1 97 97 ARG H H 97 8.131 8.131 7.628 0.503 19773 4788 1 19 . 1 1 98 98 GLU N N 98 121.837 121.837 120.257 1.580 19773 4789 1 19 . 1 1 98 98 GLU HA H 98 4.177 4.177 3.905 0.272 19773 4790 1 19 . 1 1 98 98 GLU CA C 98 56.531 56.531 58.432 -1.901 19773 4791 1 19 . 1 1 98 98 GLU CB C 98 29.665 29.665 29.420 0.245 19773 4792 1 19 . 1 1 98 98 GLU H H 98 8.374 8.374 8.659 -0.285 19773 4793 1 19 . 1 1 99 99 VAL N N 99 121.265 121.265 121.164 0.101 19773 4794 1 19 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.086 -0.112 19773 4795 1 19 . 1 1 99 99 VAL CA C 99 62.503 62.503 61.535 0.968 19773 4796 1 19 . 1 1 99 99 VAL CB C 99 32.457 32.457 31.904 0.554 19773 4797 1 19 . 1 1 99 99 VAL H H 99 8.261 8.261 7.951 0.310 19773 4798 1 19 . 1 1 100 100 ASN N N 100 122.280 122.280 123.727 -1.447 19773 4799 1 19 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.660 0.058 19773 4800 1 19 . 1 1 100 100 ASN CA C 100 53.117 53.117 52.894 0.223 19773 4801 1 19 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.225 -0.457 19773 4802 1 19 . 1 1 100 100 ASN H H 100 8.639 8.639 8.703 -0.064 19773 4803 1 19 . 1 1 101 101 SER N N 101 117.046 117.046 122.415 -5.369 19773 4804 1 19 . 1 1 101 101 SER HA H 101 4.349 4.349 4.116 0.233 19773 4805 1 19 . 1 1 101 101 SER CA C 101 58.970 58.970 61.735 -2.765 19773 4806 1 19 . 1 1 101 101 SER CB C 101 63.397 63.397 63.222 0.175 19773 4807 1 19 . 1 1 101 101 SER H H 101 8.542 8.542 8.966 -0.424 19773 4808 1 19 . 1 1 102 102 GLN N N 102 122.514 122.514 120.251 2.263 19773 4809 1 19 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.065 0.138 19773 4810 1 19 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.307 -2.137 19773 4811 1 19 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.683 -0.294 19773 4812 1 19 . 1 1 102 102 GLN H H 102 8.594 8.594 8.577 0.017 19773 4813 1 19 . 1 1 103 103 GLU N N 103 120.874 120.874 119.062 1.812 19773 4814 1 19 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.024 0.069 19773 4815 1 19 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.657 -1.665 19773 4816 1 19 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.208 0.281 19773 4817 1 19 . 1 1 103 103 GLU H H 103 8.496 8.496 8.720 -0.224 19773 4818 1 19 . 1 1 104 104 GLU N N 104 120.874 120.874 118.713 2.161 19773 4819 1 19 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.073 0.049 19773 4820 1 19 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.030 -1.183 19773 4821 1 19 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.197 0.446 19773 4822 1 19 . 1 1 104 104 GLU H H 104 8.379 8.379 7.796 0.583 19773 4823 1 19 . 1 1 105 105 GLU N N 105 121.421 121.421 118.967 2.454 19773 4824 1 19 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.062 0.059 19773 4825 1 19 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.162 -1.080 19773 4826 1 19 . 1 1 105 105 GLU H H 105 8.437 8.437 7.984 0.453 19773 4827 1 19 . 1 1 106 106 GLU N N 106 120.640 120.640 119.698 0.942 19773 4828 1 19 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.050 -0.046 19773 4829 1 19 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.302 -0.627 19773 4830 1 19 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.619 -0.298 19773 4831 1 19 . 1 1 106 106 GLU H H 106 8.463 8.463 7.978 0.485 19773 4832 1 19 . 1 1 107 107 GLU N N 107 120.249 120.249 119.821 0.428 19773 4833 1 19 . 1 1 107 107 GLU HA H 107 4.045 4.045 4.003 0.042 19773 4834 1 19 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.686 -0.684 19773 4835 1 19 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.553 -0.517 19773 4836 1 19 . 1 1 107 107 GLU H H 107 8.385 8.385 7.930 0.455 19773 4837 1 19 . 1 1 108 108 GLU N N 108 120.902 120.902 119.112 1.790 19773 4838 1 19 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.078 0.050 19773 4839 1 19 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.100 -0.698 19773 4840 1 19 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.362 -0.542 19773 4841 1 19 . 1 1 108 108 GLU H H 108 8.125 8.125 7.885 0.240 19773 4842 1 19 . 1 1 109 109 LEU N N 109 120.327 120.327 120.094 0.233 19773 4843 1 19 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.025 -0.031 19773 4844 1 19 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.595 -0.135 19773 4845 1 19 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.739 -0.254 19773 4846 1 19 . 1 1 109 109 LEU H H 109 8.085 8.085 7.819 0.266 19773 4847 1 19 . 1 1 110 110 LEU N N 110 121.108 121.108 120.438 0.670 19773 4848 1 19 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.968 0.187 19773 4849 1 19 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.113 -0.916 19773 4850 1 19 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.547 -0.075 19773 4851 1 19 . 1 1 110 110 LEU H H 110 7.948 7.948 8.257 -0.309 19773 4852 1 19 . 1 1 111 111 ARG N N 111 119.390 119.390 119.075 0.315 19773 4853 1 19 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.873 0.029 19773 4854 1 19 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.955 -0.942 19773 4855 1 19 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.075 -0.110 19773 4856 1 19 . 1 1 111 111 ARG H H 111 8.111 8.111 8.075 0.036 19773 4857 1 19 . 1 1 112 112 LYS N N 112 120.418 120.418 119.175 1.243 19773 4858 1 19 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.001 0.058 19773 4859 1 19 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.321 -0.606 19773 4860 1 19 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.254 0.189 19773 4861 1 19 . 1 1 112 112 LYS H H 112 8.273 8.273 7.830 0.443 19773 4862 1 19 . 1 1 113 113 ALA N N 113 122.758 122.758 123.560 -0.802 19773 4863 1 19 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.110 0.059 19773 4864 1 19 . 1 1 113 113 ALA CA C 113 54.293 54.293 54.949 -0.656 19773 4865 1 19 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.442 -0.389 19773 4866 1 19 . 1 1 113 113 ALA H H 113 7.978 7.978 7.943 0.035 19773 4867 1 19 . 1 1 114 114 ILE N N 114 120.171 120.171 118.804 1.367 19773 4868 1 19 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.687 0.079 19773 4869 1 19 . 1 1 114 114 ILE CA C 114 63.420 63.420 63.967 -0.547 19773 4870 1 19 . 1 1 114 114 ILE CB C 114 38.078 38.078 36.929 1.149 19773 4871 1 19 . 1 1 114 114 ILE H H 114 8.229 8.229 7.991 0.238 19773 4872 1 19 . 1 1 115 115 ALA N N 115 123.999 123.999 121.807 2.192 19773 4873 1 19 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.955 0.152 19773 4874 1 19 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.421 -1.100 19773 4875 1 19 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.970 0.084 19773 4876 1 19 . 1 1 115 115 ALA H H 115 8.072 8.072 7.932 0.140 19773 4877 1 19 . 1 1 116 116 GLU N N 116 118.140 118.140 118.783 -0.643 19773 4878 1 19 . 1 1 116 116 GLU HA H 116 4.120 4.120 3.969 0.151 19773 4879 1 19 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.309 -1.533 19773 4880 1 19 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.644 -0.333 19773 4881 1 19 . 1 1 116 116 GLU H H 116 8.313 8.313 8.200 0.113 19773 4882 1 19 . 1 1 117 117 SER N N 117 115.640 115.640 115.487 0.153 19773 4883 1 19 . 1 1 117 117 SER HA H 117 4.291 4.291 4.167 0.124 19773 4884 1 19 . 1 1 117 117 SER CA C 117 59.647 59.647 61.393 -1.746 19773 4885 1 19 . 1 1 117 117 SER CB C 117 63.022 63.022 63.242 -0.220 19773 4886 1 19 . 1 1 117 117 SER H H 117 8.040 8.040 7.934 0.106 19773 4887 1 19 . 1 1 118 118 LEU N N 118 122.593 122.593 118.911 3.682 19773 4888 1 19 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.069 0.155 19773 4889 1 19 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.974 -1.099 19773 4890 1 19 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.134 -0.340 19773 4891 1 19 . 1 1 118 118 LEU H H 118 7.968 7.968 7.807 0.161 19773 4892 1 19 . 1 1 119 119 ASN N N 119 117.828 117.828 114.233 3.595 19773 4893 1 19 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.699 -0.065 19773 4894 1 19 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.784 -0.251 19773 4895 1 19 . 1 1 119 119 ASN CB C 119 38.545 38.545 39.216 -0.671 19773 4896 1 19 . 1 1 119 119 ASN H H 119 8.183 8.183 7.747 0.436 19773 4897 1 19 . 1 1 120 120 SER N N 120 115.484 115.484 115.959 -0.475 19773 4898 1 19 . 1 1 120 120 SER HA H 120 4.332 4.332 4.504 -0.172 19773 4899 1 19 . 1 1 120 120 SER CA C 120 58.417 58.417 58.329 0.088 19773 4900 1 19 . 1 1 120 120 SER CB C 120 63.386 63.386 63.968 -0.582 19773 4901 1 19 . 1 1 120 120 SER H H 120 8.183 8.183 7.874 0.309 19773 4902 1 19 . 1 1 121 121 CYS N N 121 123.139 123.139 124.621 -1.482 19773 4903 1 19 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.609 -2.711 19773 4904 1 19 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.872 0.692 19773 4905 1 19 . 1 1 121 121 CYS H H 121 8.450 8.450 8.381 0.069 19773 4906 1 19 . 1 1 124 124 SER N N 124 116.031 116.031 116.633 -0.602 19773 4907 1 19 . 1 1 124 124 SER HA H 124 4.311 4.311 4.363 -0.052 19773 4908 1 19 . 1 1 124 124 SER CA C 124 58.360 58.360 57.825 0.535 19773 4909 1 19 . 1 1 124 124 SER CB C 124 63.486 63.486 63.844 -0.358 19773 4910 1 19 . 1 1 124 124 SER H H 124 8.587 8.587 8.148 0.439 19773 4911 1 19 . 1 1 125 125 ASP N N 125 122.514 122.514 120.472 2.042 19773 4912 1 19 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.650 -0.095 19773 4913 1 19 . 1 1 125 125 ASP CA C 125 54.016 54.016 53.466 0.550 19773 4914 1 19 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.980 -1.116 19773 4915 1 19 . 1 1 125 125 ASP H H 125 8.424 8.424 8.505 -0.081 19773 4916 1 19 . 1 1 126 126 ALA N N 126 124.858 124.858 128.902 -4.044 19773 4917 1 19 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.135 0.088 19773 4918 1 19 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.084 -1.329 19773 4919 1 19 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.125 -0.430 19773 4920 1 19 . 1 1 126 126 ALA H H 126 8.398 8.398 8.732 -0.334 19773 4921 1 19 . 1 1 127 127 SER N N 127 114.781 114.781 113.478 1.303 19773 4922 1 19 . 1 1 127 127 SER HA H 127 4.296 4.296 4.439 -0.143 19773 4923 1 19 . 1 1 127 127 SER CA C 127 58.476 58.476 58.637 -0.161 19773 4924 1 19 . 1 1 127 127 SER CB C 127 63.408 63.408 63.804 -0.396 19773 4925 1 19 . 1 1 127 127 SER H H 127 8.398 8.398 8.546 -0.148 19773 4926 1 19 . 1 1 128 128 ALA N N 128 125.639 125.639 120.886 4.753 19773 4927 1 19 . 1 1 128 128 ALA HA H 128 4.286 4.286 3.983 0.303 19773 4928 1 19 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.066 -0.654 19773 4929 1 19 . 1 1 128 128 ALA CB C 128 19.000 19.000 16.876 2.124 19773 4930 1 19 . 1 1 128 128 ALA H H 128 8.261 8.261 7.672 0.589 19773 4931 1 19 . 1 1 129 129 THR N N 129 113.687 113.687 113.829 -0.142 19773 4932 1 19 . 1 1 129 129 THR HA H 129 4.223 4.223 4.314 -0.091 19773 4933 1 19 . 1 1 129 129 THR CA C 129 61.793 61.793 61.151 0.641 19773 4934 1 19 . 1 1 129 129 THR CB C 129 69.378 69.378 69.998 -0.620 19773 4935 1 19 . 1 1 129 129 THR H H 129 8.196 8.196 7.994 0.202 19773 4936 1 19 . 1 1 130 130 ARG N N 130 124.467 124.467 123.668 0.799 19773 4937 1 19 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.350 0.023 19773 4938 1 19 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.577 -1.009 19773 4939 1 19 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.751 -0.104 19773 4940 1 19 . 1 1 130 130 ARG H H 130 8.450 8.450 8.474 -0.024 19773 4941 1 20 . 1 1 -2 -2 LEU N N -2 122.671 122.671 121.821 0.850 19773 4942 1 20 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.294 -0.016 19773 4943 1 20 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.422 -0.137 19773 4944 1 20 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 41.993 -0.155 19773 4945 1 20 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.558 1.140 19773 4946 1 20 . 1 1 -1 -1 GLY N N -1 109.817 109.817 114.331 -4.514 19773 4947 1 20 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.744 0.354 19773 4948 1 20 . 1 1 -1 -1 GLY H H -1 8.535 8.535 8.524 0.011 19773 4949 1 20 . 1 1 75 75 LYS N N 75 122.983 122.983 120.556 2.427 19773 4950 1 20 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.207 0.009 19773 4951 1 20 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.700 -0.329 19773 4952 1 20 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.187 -0.699 19773 4953 1 20 . 1 1 75 75 LYS H H 75 8.411 8.411 7.849 0.562 19773 4954 1 20 . 1 1 76 76 ILE N N 76 122.749 122.749 122.106 0.643 19773 4955 1 20 . 1 1 76 76 ILE HA H 76 4.059 4.059 3.993 0.066 19773 4956 1 20 . 1 1 76 76 ILE CA C 76 61.181 61.181 61.401 -0.221 19773 4957 1 20 . 1 1 76 76 ILE CB C 76 38.371 38.371 38.513 -0.142 19773 4958 1 20 . 1 1 76 76 ILE H H 76 8.242 8.242 7.426 0.816 19773 4959 1 20 . 1 1 77 77 ALA N N 77 127.358 127.358 130.031 -2.673 19773 4960 1 20 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.242 -0.059 19773 4961 1 20 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.645 0.964 19773 4962 1 20 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.348 -0.536 19773 4963 1 20 . 1 1 77 77 ALA H H 77 8.463 8.463 8.132 0.332 19773 4964 1 20 . 1 1 78 78 GLN N N 78 119.077 119.077 119.694 -0.617 19773 4965 1 20 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.173 0.041 19773 4966 1 20 . 1 1 78 78 GLN CA C 78 55.596 55.596 56.218 -0.621 19773 4967 1 20 . 1 1 78 78 GLN CB C 78 29.016 29.016 28.989 0.027 19773 4968 1 20 . 1 1 78 78 GLN H H 78 8.359 8.359 8.345 0.014 19773 4969 1 20 . 1 1 79 79 MET N N 79 121.781 121.781 123.687 -1.906 19773 4970 1 20 . 1 1 79 79 MET HA H 79 4.450 4.450 4.548 -0.098 19773 4971 1 20 . 1 1 79 79 MET CA C 79 55.906 55.906 55.247 0.659 19773 4972 1 20 . 1 1 79 79 MET CB C 79 34.019 34.019 33.204 0.815 19773 4973 1 20 . 1 1 79 79 MET H H 79 8.360 8.360 8.235 0.125 19773 4974 1 20 . 1 1 83 83 GLU N N 83 120.249 120.249 121.180 -0.931 19773 4975 1 20 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.096 -0.040 19773 4976 1 20 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.969 -0.168 19773 4977 1 20 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.876 -0.561 19773 4978 1 20 . 1 1 83 83 GLU H H 83 8.776 8.776 8.707 0.069 19773 4979 1 20 . 1 1 84 84 GLN N N 84 119.958 119.958 118.861 1.097 19773 4980 1 20 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.069 -0.084 19773 4981 1 20 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.556 -0.648 19773 4982 1 20 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.841 -0.451 19773 4983 1 20 . 1 1 84 84 GLN H H 84 8.037 8.037 7.614 0.423 19773 4984 1 20 . 1 1 85 85 PHE N N 85 121.733 121.733 120.938 0.795 19773 4985 1 20 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.247 0.058 19773 4986 1 20 . 1 1 85 85 PHE CA C 85 60.256 60.256 60.725 -0.469 19773 4987 1 20 . 1 1 85 85 PHE CB C 85 38.716 38.716 39.133 -0.417 19773 4988 1 20 . 1 1 85 85 PHE H H 85 8.652 8.652 8.791 -0.139 19773 4989 1 20 . 1 1 86 86 ALA N N 86 121.811 121.811 122.060 -0.249 19773 4990 1 20 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.910 0.142 19773 4991 1 20 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.011 -0.696 19773 4992 1 20 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.063 0.011 19773 4993 1 20 . 1 1 86 86 ALA H H 86 8.209 8.209 8.149 0.060 19773 4994 1 20 . 1 1 87 87 LEU N N 87 119.780 119.780 120.168 -0.388 19773 4995 1 20 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.929 0.208 19773 4996 1 20 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.673 -0.848 19773 4997 1 20 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.416 0.189 19773 4998 1 20 . 1 1 87 87 LEU H H 87 7.877 7.877 7.657 0.220 19773 4999 1 20 . 1 1 88 88 ALA N N 88 122.593 122.593 121.310 1.283 19773 5000 1 20 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.897 0.155 19773 5001 1 20 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.969 -0.948 19773 5002 1 20 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.093 -0.325 19773 5003 1 20 . 1 1 88 88 ALA H H 88 8.020 8.020 7.680 0.340 19773 5004 1 20 . 1 1 89 89 LEU N N 89 120.028 120.028 118.591 1.437 19773 5005 1 20 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.782 0.270 19773 5006 1 20 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.270 -0.768 19773 5007 1 20 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.376 0.162 19773 5008 1 20 . 1 1 89 89 LEU H H 89 8.021 8.021 7.431 0.590 19773 5009 1 20 . 1 1 90 90 LYS N N 90 120.483 120.483 118.584 1.899 19773 5010 1 20 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.170 -0.022 19773 5011 1 20 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.154 -1.597 19773 5012 1 20 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.262 -0.047 19773 5013 1 20 . 1 1 90 90 LYS H H 90 7.896 7.896 7.569 0.327 19773 5014 1 20 . 1 1 91 91 MET N N 91 119.156 119.156 119.348 -0.192 19773 5015 1 20 . 1 1 91 91 MET HA H 91 4.291 4.291 4.181 0.110 19773 5016 1 20 . 1 1 91 91 MET CA C 91 56.541 56.541 58.536 -1.995 19773 5017 1 20 . 1 1 91 91 MET H H 91 8.320 8.320 7.731 0.589 19773 5018 1 20 . 1 1 92 92 SER N N 92 116.382 116.382 115.170 1.212 19773 5019 1 20 . 1 1 92 92 SER HA H 92 4.291 4.291 4.080 0.211 19773 5020 1 20 . 1 1 92 92 SER CA C 92 59.584 59.584 61.478 -1.894 19773 5021 1 20 . 1 1 92 92 SER CB C 92 63.074 63.074 62.427 0.647 19773 5022 1 20 . 1 1 92 92 SER H H 92 8.297 8.297 8.043 0.254 19773 5023 1 20 . 1 1 93 93 GLU N N 93 122.202 122.202 121.114 1.088 19773 5024 1 20 . 1 1 93 93 GLU HA H 93 4.135 4.135 3.950 0.185 19773 5025 1 20 . 1 1 93 93 GLU CA C 93 57.508 57.508 58.972 -1.464 19773 5026 1 20 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.249 0.364 19773 5027 1 20 . 1 1 93 93 GLU H H 93 8.313 8.313 7.693 0.620 19773 5028 1 20 . 1 1 94 94 GLN N N 94 119.546 119.546 117.850 1.696 19773 5029 1 20 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.039 0.096 19773 5030 1 20 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.715 -1.838 19773 5031 1 20 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.772 0.054 19773 5032 1 20 . 1 1 94 94 GLN H H 94 8.177 8.177 7.533 0.644 19773 5033 1 20 . 1 1 95 95 GLU N N 95 121.030 121.030 116.272 4.758 19773 5034 1 20 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.258 -0.192 19773 5035 1 20 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.749 0.412 19773 5036 1 20 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.457 0.449 19773 5037 1 20 . 1 1 95 95 GLU H H 95 8.281 8.281 7.695 0.586 19773 5038 1 20 . 1 1 96 96 ALA N N 96 123.530 123.530 119.351 4.179 19773 5039 1 20 . 1 1 96 96 ALA HA H 96 4.183 4.183 4.023 0.160 19773 5040 1 20 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.163 -0.404 19773 5041 1 20 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.324 1.081 19773 5042 1 20 . 1 1 96 96 ALA H H 96 8.242 8.242 7.206 1.036 19773 5043 1 20 . 1 1 97 97 ARG N N 97 119.624 119.624 113.823 5.801 19773 5044 1 20 . 1 1 97 97 ARG HA H 97 4.209 4.209 3.882 0.327 19773 5045 1 20 . 1 1 97 97 ARG CA C 97 56.469 56.469 58.236 -1.767 19773 5046 1 20 . 1 1 97 97 ARG CB C 97 30.641 30.641 28.361 2.280 19773 5047 1 20 . 1 1 97 97 ARG H H 97 8.131 8.131 8.253 -0.122 19773 5048 1 20 . 1 1 98 98 GLU N N 98 121.837 121.837 117.159 4.678 19773 5049 1 20 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.414 -0.237 19773 5050 1 20 . 1 1 98 98 GLU CA C 98 56.531 56.531 55.773 0.758 19773 5051 1 20 . 1 1 98 98 GLU CB C 98 29.665 29.665 31.979 -2.313 19773 5052 1 20 . 1 1 98 98 GLU H H 98 8.374 8.374 7.741 0.633 19773 5053 1 20 . 1 1 99 99 VAL N N 99 121.265 121.265 122.167 -0.902 19773 5054 1 20 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.114 -0.140 19773 5055 1 20 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.179 0.324 19773 5056 1 20 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.319 0.139 19773 5057 1 20 . 1 1 99 99 VAL H H 99 8.261 8.261 8.256 0.005 19773 5058 1 20 . 1 1 100 100 ASN N N 100 122.280 122.280 121.444 0.836 19773 5059 1 20 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.665 0.053 19773 5060 1 20 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.187 -0.070 19773 5061 1 20 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.220 -0.452 19773 5062 1 20 . 1 1 100 100 ASN H H 100 8.639 8.639 8.470 0.169 19773 5063 1 20 . 1 1 101 101 SER N N 101 117.046 117.046 118.439 -1.393 19773 5064 1 20 . 1 1 101 101 SER HA H 101 4.349 4.349 4.319 0.030 19773 5065 1 20 . 1 1 101 101 SER CA C 101 58.970 58.970 61.876 -2.906 19773 5066 1 20 . 1 1 101 101 SER CB C 101 63.397 63.397 63.200 0.197 19773 5067 1 20 . 1 1 101 101 SER H H 101 8.542 8.542 8.869 -0.327 19773 5068 1 20 . 1 1 102 102 GLN N N 102 122.514 122.514 119.799 2.715 19773 5069 1 20 . 1 1 102 102 GLN HA H 102 4.203 4.203 3.986 0.217 19773 5070 1 20 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.004 -1.834 19773 5071 1 20 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.310 0.079 19773 5072 1 20 . 1 1 102 102 GLN H H 102 8.594 8.594 8.614 -0.020 19773 5073 1 20 . 1 1 103 103 GLU N N 103 120.874 120.874 119.278 1.596 19773 5074 1 20 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.085 0.008 19773 5075 1 20 . 1 1 103 103 GLU CA C 103 57.993 57.993 58.995 -1.002 19773 5076 1 20 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.241 0.248 19773 5077 1 20 . 1 1 103 103 GLU H H 103 8.496 8.496 7.762 0.734 19773 5078 1 20 . 1 1 104 104 GLU N N 104 120.874 120.874 119.915 0.959 19773 5079 1 20 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.262 -0.140 19773 5080 1 20 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.089 -1.242 19773 5081 1 20 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.606 0.037 19773 5082 1 20 . 1 1 104 104 GLU H H 104 8.379 8.379 7.655 0.724 19773 5083 1 20 . 1 1 105 105 GLU N N 105 121.421 121.421 120.111 1.310 19773 5084 1 20 . 1 1 105 105 GLU HA H 105 4.121 4.121 3.984 0.137 19773 5085 1 20 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.367 -1.285 19773 5086 1 20 . 1 1 105 105 GLU H H 105 8.437 8.437 7.964 0.473 19773 5087 1 20 . 1 1 106 106 GLU N N 106 120.640 120.640 119.055 1.585 19773 5088 1 20 . 1 1 106 106 GLU HA H 106 4.004 4.004 3.985 0.019 19773 5089 1 20 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.430 -0.755 19773 5090 1 20 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.494 -0.173 19773 5091 1 20 . 1 1 106 106 GLU H H 106 8.463 8.463 7.875 0.588 19773 5092 1 20 . 1 1 107 107 GLU N N 107 120.249 120.249 119.382 0.867 19773 5093 1 20 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.998 0.047 19773 5094 1 20 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.488 -0.486 19773 5095 1 20 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.410 -0.374 19773 5096 1 20 . 1 1 107 107 GLU H H 107 8.385 8.385 7.875 0.510 19773 5097 1 20 . 1 1 108 108 GLU N N 108 120.902 120.902 120.291 0.611 19773 5098 1 20 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.032 0.096 19773 5099 1 20 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.261 -0.859 19773 5100 1 20 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.454 -0.634 19773 5101 1 20 . 1 1 108 108 GLU H H 108 8.125 8.125 7.652 0.473 19773 5102 1 20 . 1 1 109 109 LEU N N 109 120.327 120.327 120.319 0.008 19773 5103 1 20 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.074 -0.080 19773 5104 1 20 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.980 -0.520 19773 5105 1 20 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.192 0.293 19773 5106 1 20 . 1 1 109 109 LEU H H 109 8.085 8.085 7.633 0.452 19773 5107 1 20 . 1 1 110 110 LEU N N 110 121.108 121.108 119.769 1.339 19773 5108 1 20 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.972 0.183 19773 5109 1 20 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.261 -1.064 19773 5110 1 20 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.335 0.137 19773 5111 1 20 . 1 1 110 110 LEU H H 110 7.948 7.948 7.942 0.006 19773 5112 1 20 . 1 1 111 111 ARG N N 111 119.390 119.390 119.475 -0.085 19773 5113 1 20 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.898 0.004 19773 5114 1 20 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.877 -0.864 19773 5115 1 20 . 1 1 111 111 ARG CB C 111 29.965 29.965 30.086 -0.121 19773 5116 1 20 . 1 1 111 111 ARG H H 111 8.111 8.111 8.534 -0.423 19773 5117 1 20 . 1 1 112 112 LYS N N 112 120.418 120.418 119.633 0.785 19773 5118 1 20 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.024 0.035 19773 5119 1 20 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.394 -0.679 19773 5120 1 20 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.400 0.043 19773 5121 1 20 . 1 1 112 112 LYS H H 112 8.273 8.273 8.125 0.148 19773 5122 1 20 . 1 1 113 113 ALA N N 113 122.758 122.758 121.945 0.813 19773 5123 1 20 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.077 0.092 19773 5124 1 20 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.037 -0.744 19773 5125 1 20 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.132 -0.079 19773 5126 1 20 . 1 1 113 113 ALA H H 113 7.978 7.978 7.887 0.091 19773 5127 1 20 . 1 1 114 114 ILE N N 114 120.171 120.171 119.082 1.089 19773 5128 1 20 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.595 0.171 19773 5129 1 20 . 1 1 114 114 ILE CA C 114 63.420 63.420 65.326 -1.906 19773 5130 1 20 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.857 0.221 19773 5131 1 20 . 1 1 114 114 ILE H H 114 8.229 8.229 7.886 0.343 19773 5132 1 20 . 1 1 115 115 ALA N N 115 123.999 123.999 121.700 2.299 19773 5133 1 20 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.966 0.141 19773 5134 1 20 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.396 -1.075 19773 5135 1 20 . 1 1 115 115 ALA CB C 115 18.054 18.054 17.943 0.111 19773 5136 1 20 . 1 1 115 115 ALA H H 115 8.072 8.072 8.013 0.059 19773 5137 1 20 . 1 1 116 116 GLU N N 116 118.140 118.140 118.734 -0.594 19773 5138 1 20 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.034 0.086 19773 5139 1 20 . 1 1 116 116 GLU CA C 116 57.776 57.776 58.880 -1.104 19773 5140 1 20 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.312 -0.001 19773 5141 1 20 . 1 1 116 116 GLU H H 116 8.313 8.313 8.313 -0.000 19773 5142 1 20 . 1 1 117 117 SER N N 117 115.640 115.640 114.951 0.689 19773 5143 1 20 . 1 1 117 117 SER HA H 117 4.291 4.291 4.257 0.034 19773 5144 1 20 . 1 1 117 117 SER CA C 117 59.647 59.647 61.469 -1.822 19773 5145 1 20 . 1 1 117 117 SER CB C 117 63.022 63.022 63.085 -0.063 19773 5146 1 20 . 1 1 117 117 SER H H 117 8.040 8.040 7.822 0.218 19773 5147 1 20 . 1 1 118 118 LEU N N 118 122.593 122.593 119.759 2.834 19773 5148 1 20 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.073 0.151 19773 5149 1 20 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.990 -1.115 19773 5150 1 20 . 1 1 118 118 LEU CB C 118 41.794 41.794 41.992 -0.198 19773 5151 1 20 . 1 1 118 118 LEU H H 118 7.968 7.968 7.641 0.327 19773 5152 1 20 . 1 1 119 119 ASN N N 119 117.828 117.828 115.495 2.333 19773 5153 1 20 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.675 -0.041 19773 5154 1 20 . 1 1 119 119 ASN CA C 119 53.533 53.533 54.050 -0.517 19773 5155 1 20 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.719 -0.174 19773 5156 1 20 . 1 1 119 119 ASN H H 119 8.183 8.183 8.091 0.092 19773 5157 1 20 . 1 1 120 120 SER N N 120 115.484 115.484 115.041 0.443 19773 5158 1 20 . 1 1 120 120 SER HA H 120 4.332 4.332 4.367 -0.035 19773 5159 1 20 . 1 1 120 120 SER CA C 120 58.417 58.417 59.370 -0.953 19773 5160 1 20 . 1 1 120 120 SER CB C 120 63.386 63.386 63.970 -0.584 19773 5161 1 20 . 1 1 120 120 SER H H 120 8.183 8.183 7.586 0.597 19773 5162 1 20 . 1 1 121 121 CYS N N 121 123.139 123.139 121.469 1.670 19773 5163 1 20 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.414 -2.516 19773 5164 1 20 . 1 1 121 121 CYS CB C 121 30.564 30.564 28.466 2.098 19773 5165 1 20 . 1 1 121 121 CYS H H 121 8.450 8.450 8.280 0.170 19773 5166 1 20 . 1 1 124 124 SER N N 124 116.031 116.031 116.834 -0.803 19773 5167 1 20 . 1 1 124 124 SER HA H 124 4.311 4.311 4.342 -0.031 19773 5168 1 20 . 1 1 124 124 SER CA C 124 58.360 58.360 58.633 -0.273 19773 5169 1 20 . 1 1 124 124 SER CB C 124 63.486 63.486 64.038 -0.552 19773 5170 1 20 . 1 1 124 124 SER H H 124 8.587 8.587 8.318 0.269 19773 5171 1 20 . 1 1 125 125 ASP N N 125 122.514 122.514 124.845 -2.331 19773 5172 1 20 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.506 0.049 19773 5173 1 20 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.769 -0.753 19773 5174 1 20 . 1 1 125 125 ASP CB C 125 40.864 40.864 42.078 -1.214 19773 5175 1 20 . 1 1 125 125 ASP H H 125 8.424 8.424 8.491 -0.067 19773 5176 1 20 . 1 1 126 126 ALA N N 126 124.858 124.858 128.185 -3.327 19773 5177 1 20 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.131 0.092 19773 5178 1 20 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.099 -1.344 19773 5179 1 20 . 1 1 126 126 ALA CB C 126 18.695 18.695 19.004 -0.309 19773 5180 1 20 . 1 1 126 126 ALA H H 126 8.398 8.398 8.605 -0.207 19773 5181 1 20 . 1 1 127 127 SER N N 127 114.781 114.781 113.519 1.262 19773 5182 1 20 . 1 1 127 127 SER HA H 127 4.296 4.296 4.435 -0.139 19773 5183 1 20 . 1 1 127 127 SER CA C 127 58.476 58.476 58.866 -0.390 19773 5184 1 20 . 1 1 127 127 SER CB C 127 63.408 63.408 63.876 -0.468 19773 5185 1 20 . 1 1 127 127 SER H H 127 8.398 8.398 8.126 0.272 19773 5186 1 20 . 1 1 128 128 ALA N N 128 125.639 125.639 120.848 4.791 19773 5187 1 20 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.019 0.267 19773 5188 1 20 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.426 -1.014 19773 5189 1 20 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.465 1.535 19773 5190 1 20 . 1 1 128 128 ALA H H 128 8.261 8.261 7.671 0.590 19773 5191 1 20 . 1 1 129 129 THR N N 129 113.687 113.687 111.839 1.848 19773 5192 1 20 . 1 1 129 129 THR HA H 129 4.223 4.223 4.302 -0.079 19773 5193 1 20 . 1 1 129 129 THR CA C 129 61.793 61.793 61.165 0.628 19773 5194 1 20 . 1 1 129 129 THR CB C 129 69.378 69.378 70.140 -0.762 19773 5195 1 20 . 1 1 129 129 THR H H 129 8.196 8.196 7.734 0.462 19773 5196 1 20 . 1 1 130 130 ARG N N 130 124.467 124.467 123.313 1.154 19773 5197 1 20 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.384 -0.011 19773 5198 1 20 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.481 -0.913 19773 5199 1 20 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.821 -0.174 19773 5200 1 20 . 1 1 130 130 ARG H H 130 8.450 8.450 8.499 -0.049 19773 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 53 2.091 -0.884 1.913 19773 2 1 1 "Average Difference" HA 53 0.148 -0.042 0.144 19773 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19773 4 1 1 "Average Difference" CA 53 1.097 0.630 0.907 19773 5 1 1 "Average Difference" CB 50 0.657 -0.075 0.660 19773 6 1 1 "Average Difference" HN 53 0.398 -0.244 0.317 19773 7 1 2 "Average Difference" N 53 2.056 -0.487 2.016 19773 8 1 2 "Average Difference" HA 53 0.148 -0.020 0.148 19773 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19773 10 1 2 "Average Difference" CA 53 1.218 0.772 0.951 19773 11 1 2 "Average Difference" CB 50 0.628 0.022 0.634 19773 12 1 2 "Average Difference" HN 53 0.399 -0.248 0.316 19773 13 1 3 "Average Difference" N 53 1.930 -0.766 1.789 19773 14 1 3 "Average Difference" HA 53 0.147 -0.005 0.149 19773 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19773 16 1 3 "Average Difference" CA 53 1.066 0.676 0.832 19773 17 1 3 "Average Difference" CB 50 0.621 0.063 0.624 19773 18 1 3 "Average Difference" HN 53 0.361 -0.208 0.298 19773 19 1 4 "Average Difference" N 53 2.452 -0.437 2.436 19773 20 1 4 "Average Difference" HA 53 0.165 -0.011 0.167 19773 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19773 22 1 4 "Average Difference" CA 53 1.195 0.628 1.026 19773 23 1 4 "Average Difference" CB 50 0.767 0.098 0.768 19773 24 1 4 "Average Difference" HN 53 0.410 -0.199 0.362 19773 25 1 5 "Average Difference" N 53 2.113 -0.704 2.012 19773 26 1 5 "Average Difference" HA 53 0.144 -0.050 0.136 19773 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19773 28 1 5 "Average Difference" CA 53 1.249 0.730 1.023 19773 29 1 5 "Average Difference" CB 50 0.690 0.050 0.695 19773 30 1 5 "Average Difference" HN 53 0.411 -0.244 0.334 19773 31 1 6 "Average Difference" N 53 2.132 -0.867 1.967 19773 32 1 6 "Average Difference" HA 53 0.144 -0.038 0.141 19773 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19773 34 1 6 "Average Difference" CA 53 1.268 0.737 1.042 19773 35 1 6 "Average Difference" CB 50 0.675 0.022 0.681 19773 36 1 6 "Average Difference" HN 53 0.379 -0.253 0.285 19773 37 1 7 "Average Difference" N 53 2.256 -0.615 2.191 19773 38 1 7 "Average Difference" HA 53 0.143 -0.021 0.143 19773 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19773 40 1 7 "Average Difference" CA 53 1.165 0.682 0.954 19773 41 1 7 "Average Difference" CB 50 0.720 -0.031 0.727 19773 42 1 7 "Average Difference" HN 53 0.388 -0.201 0.335 19773 43 1 8 "Average Difference" N 53 2.205 -0.644 2.129 19773 44 1 8 "Average Difference" HA 53 0.124 -0.046 0.116 19773 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19773 46 1 8 "Average Difference" CA 53 1.136 0.692 0.910 19773 47 1 8 "Average Difference" CB 50 0.653 -0.060 0.657 19773 48 1 8 "Average Difference" HN 53 0.380 -0.216 0.316 19773 49 1 9 "Average Difference" N 53 2.299 -0.546 2.255 19773 50 1 9 "Average Difference" HA 53 0.153 -0.030 0.151 19773 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19773 52 1 9 "Average Difference" CA 53 1.119 0.781 0.808 19773 53 1 9 "Average Difference" CB 50 0.620 0.047 0.625 19773 54 1 9 "Average Difference" HN 53 0.396 -0.245 0.315 19773 55 1 10 "Average Difference" N 53 2.336 -0.697 2.251 19773 56 1 10 "Average Difference" HA 53 0.133 -0.040 0.128 19773 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19773 58 1 10 "Average Difference" CA 53 1.079 0.650 0.869 19773 59 1 10 "Average Difference" CB 50 0.711 -0.034 0.717 19773 60 1 10 "Average Difference" HN 53 0.403 -0.213 0.345 19773 61 1 11 "Average Difference" N 53 2.305 -0.891 2.147 19773 62 1 11 "Average Difference" HA 53 0.150 -0.041 0.145 19773 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19773 64 1 11 "Average Difference" CA 53 1.133 0.653 0.935 19773 65 1 11 "Average Difference" CB 50 0.655 -0.029 0.661 19773 66 1 11 "Average Difference" HN 53 0.424 -0.274 0.326 19773 67 1 12 "Average Difference" N 53 2.045 -0.636 1.962 19773 68 1 12 "Average Difference" HA 53 0.135 -0.026 0.133 19773 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19773 70 1 12 "Average Difference" CA 53 1.172 0.787 0.877 19773 71 1 12 "Average Difference" CB 50 0.623 0.086 0.624 19773 72 1 12 "Average Difference" HN 53 0.403 -0.255 0.315 19773 73 1 13 "Average Difference" N 53 2.305 -1.104 2.043 19773 74 1 13 "Average Difference" HA 53 0.139 -0.035 0.135 19773 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19773 76 1 13 "Average Difference" CA 53 1.135 0.678 0.919 19773 77 1 13 "Average Difference" CB 50 0.700 -0.021 0.707 19773 78 1 13 "Average Difference" HN 53 0.455 -0.323 0.324 19773 79 1 14 "Average Difference" N 53 2.254 -0.889 2.091 19773 80 1 14 "Average Difference" HA 53 0.154 -0.040 0.150 19773 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19773 82 1 14 "Average Difference" CA 53 1.162 0.669 0.959 19773 83 1 14 "Average Difference" CB 50 0.572 0.057 0.575 19773 84 1 14 "Average Difference" HN 53 0.417 -0.278 0.314 19773 85 1 15 "Average Difference" N 53 1.867 -0.917 1.642 19773 86 1 15 "Average Difference" HA 53 0.144 -0.036 0.141 19773 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19773 88 1 15 "Average Difference" CA 53 1.044 0.642 0.831 19773 89 1 15 "Average Difference" CB 50 0.784 0.035 0.791 19773 90 1 15 "Average Difference" HN 53 0.455 -0.305 0.342 19773 91 1 16 "Average Difference" N 53 1.902 -0.573 1.831 19773 92 1 16 "Average Difference" HA 53 0.124 -0.037 0.120 19773 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19773 94 1 16 "Average Difference" CA 53 1.251 0.802 0.969 19773 95 1 16 "Average Difference" CB 50 0.497 -0.080 0.495 19773 96 1 16 "Average Difference" HN 53 0.389 -0.218 0.325 19773 97 1 17 "Average Difference" N 53 2.231 -0.524 2.189 19773 98 1 17 "Average Difference" HA 53 0.133 -0.030 0.131 19773 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19773 100 1 17 "Average Difference" CA 53 1.199 0.636 1.026 19773 101 1 17 "Average Difference" CB 50 0.672 -0.044 0.677 19773 102 1 17 "Average Difference" HN 53 0.395 -0.253 0.306 19773 103 1 18 "Average Difference" N 53 2.253 -0.636 2.182 19773 104 1 18 "Average Difference" HA 53 0.133 -0.014 0.133 19773 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19773 106 1 18 "Average Difference" CA 53 1.109 0.722 0.850 19773 107 1 18 "Average Difference" CB 50 0.567 0.087 0.566 19773 108 1 18 "Average Difference" HN 53 0.466 -0.299 0.361 19773 109 1 19 "Average Difference" N 53 2.183 -0.549 2.133 19773 110 1 19 "Average Difference" HA 53 0.156 -0.052 0.148 19773 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19773 112 1 19 "Average Difference" CA 53 1.166 0.696 0.944 19773 113 1 19 "Average Difference" CB 50 0.578 0.042 0.583 19773 114 1 19 "Average Difference" HN 53 0.391 -0.232 0.318 19773 115 1 20 "Average Difference" N 53 2.141 -0.883 1.969 19773 116 1 20 "Average Difference" HA 53 0.137 -0.056 0.126 19773 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19773 118 1 20 "Average Difference" CA 53 1.140 0.806 0.813 19773 119 1 20 "Average Difference" CB 50 0.718 0.015 0.725 19773 120 1 20 "Average Difference" HN 53 0.442 -0.298 0.330 19773 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 19773 _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 -2 -2 LEU N N -2 122.671 122.671 119.843 2.828 19773 2 1 . 1 1 -2 -2 LEU HA H -2 4.278 4.278 4.363 -0.085 19773 3 1 . 1 1 -2 -2 LEU CA C -2 55.285 55.285 55.440 -0.155 19773 4 1 . 1 1 -2 -2 LEU CB C -2 41.838 41.838 42.449 -0.611 19773 5 1 . 1 1 -2 -2 LEU H H -2 8.698 8.698 7.982 0.716 19773 6 1 . 1 1 -1 -1 GLY N N -1 109.817 109.817 107.826 1.991 19773 7 1 . 1 1 -1 -1 GLY CA C -1 45.098 45.098 44.608 0.490 19773 8 1 . 1 1 -1 -1 GLY H H -1 8.535 8.535 7.975 0.560 19773 9 1 . 1 1 75 75 LYS N N 75 122.983 122.983 119.922 3.061 19773 10 1 . 1 1 75 75 LYS HA H 75 4.216 4.216 4.278 -0.062 19773 11 1 . 1 1 75 75 LYS CA C 75 56.371 56.371 56.461 -0.090 19773 12 1 . 1 1 75 75 LYS CB C 75 32.488 32.488 33.121 -0.633 19773 13 1 . 1 1 75 75 LYS H H 75 8.411 8.411 7.854 0.557 19773 14 1 . 1 1 76 76 ILE N N 76 122.749 122.749 121.801 0.948 19773 15 1 . 1 1 76 76 ILE HA H 76 4.059 4.059 4.044 0.015 19773 16 1 . 1 1 76 76 ILE CA C 76 61.181 61.181 60.488 0.693 19773 17 1 . 1 1 76 76 ILE CB C 76 38.371 38.371 37.843 0.528 19773 18 1 . 1 1 76 76 ILE H H 76 8.242 8.242 7.383 0.859 19773 19 1 . 1 1 77 77 ALA N N 77 127.358 127.358 131.129 -3.771 19773 20 1 . 1 1 77 77 ALA HA H 77 4.183 4.183 4.377 -0.194 19773 21 1 . 1 1 77 77 ALA CA C 77 52.609 52.609 51.783 0.826 19773 22 1 . 1 1 77 77 ALA CB C 77 18.812 18.812 19.514 -0.702 19773 23 1 . 1 1 77 77 ALA H H 77 8.463 8.463 8.280 0.183 19773 24 1 . 1 1 78 78 GLN N N 78 119.077 119.077 121.217 -2.140 19773 25 1 . 1 1 78 78 GLN HA H 78 4.214 4.214 4.317 -0.103 19773 26 1 . 1 1 78 78 GLN CA C 78 55.596 55.596 55.595 0.001 19773 27 1 . 1 1 78 78 GLN CB C 78 29.016 29.016 29.462 -0.446 19773 28 1 . 1 1 78 78 GLN H H 78 8.359 8.359 8.415 -0.056 19773 29 1 . 1 1 79 79 MET N N 79 121.781 121.781 122.976 -1.196 19773 30 1 . 1 1 79 79 MET HA H 79 4.450 4.450 4.620 -0.170 19773 31 1 . 1 1 79 79 MET CA C 79 55.906 55.906 55.287 0.619 19773 32 1 . 1 1 79 79 MET CB C 79 34.019 34.019 33.086 0.933 19773 33 1 . 1 1 79 79 MET H H 79 8.360 8.360 8.383 -0.023 19773 34 1 . 1 1 83 83 GLU N N 83 120.249 120.249 121.478 -1.229 19773 35 1 . 1 1 83 83 GLU HA H 83 4.056 4.056 4.079 -0.023 19773 36 1 . 1 1 83 83 GLU CA C 83 58.801 58.801 58.955 -0.154 19773 37 1 . 1 1 83 83 GLU CB C 83 29.315 29.315 29.670 -0.355 19773 38 1 . 1 1 83 83 GLU H H 83 8.776 8.776 8.679 0.097 19773 39 1 . 1 1 84 84 GLN N N 84 119.958 119.958 119.276 0.682 19773 40 1 . 1 1 84 84 GLN HA H 84 3.985 3.985 4.076 -0.091 19773 41 1 . 1 1 84 84 GLN CA C 84 57.908 57.908 58.551 -0.643 19773 42 1 . 1 1 84 84 GLN CB C 84 28.390 28.390 28.596 -0.206 19773 43 1 . 1 1 84 84 GLN H H 84 8.037 8.037 7.676 0.361 19773 44 1 . 1 1 85 85 PHE N N 85 121.733 121.733 120.893 0.840 19773 45 1 . 1 1 85 85 PHE HA H 85 4.305 4.305 4.160 0.144 19773 46 1 . 1 1 85 85 PHE CA C 85 60.256 60.256 61.140 -0.884 19773 47 1 . 1 1 85 85 PHE CB C 85 38.716 38.716 38.996 -0.280 19773 48 1 . 1 1 85 85 PHE H H 85 8.652 8.652 8.410 0.242 19773 49 1 . 1 1 86 86 ALA N N 86 121.811 121.811 122.079 -0.268 19773 50 1 . 1 1 86 86 ALA HA H 86 4.052 4.052 3.905 0.147 19773 51 1 . 1 1 86 86 ALA CA C 86 54.315 54.315 55.048 -0.733 19773 52 1 . 1 1 86 86 ALA CB C 86 18.074 18.074 18.173 -0.099 19773 53 1 . 1 1 86 86 ALA H H 86 8.209 8.209 8.093 0.116 19773 54 1 . 1 1 87 87 LEU N N 87 119.780 119.780 119.600 0.180 19773 55 1 . 1 1 87 87 LEU HA H 87 4.137 4.137 3.934 0.203 19773 56 1 . 1 1 87 87 LEU CA C 87 56.826 56.826 57.523 -0.697 19773 57 1 . 1 1 87 87 LEU CB C 87 41.605 41.605 41.411 0.194 19773 58 1 . 1 1 87 87 LEU H H 87 7.877 7.877 7.964 -0.087 19773 59 1 . 1 1 88 88 ALA N N 88 122.593 122.593 122.016 0.577 19773 60 1 . 1 1 88 88 ALA HA H 88 4.052 4.052 3.932 0.120 19773 61 1 . 1 1 88 88 ALA CA C 88 54.021 54.021 54.994 -0.973 19773 62 1 . 1 1 88 88 ALA CB C 88 17.768 17.768 18.103 -0.335 19773 63 1 . 1 1 88 88 ALA H H 88 8.020 8.020 7.843 0.177 19773 64 1 . 1 1 89 89 LEU N N 89 120.028 120.028 118.670 1.358 19773 65 1 . 1 1 89 89 LEU HA H 89 4.052 4.052 3.829 0.223 19773 66 1 . 1 1 89 89 LEU CA C 89 56.502 56.502 57.470 -0.968 19773 67 1 . 1 1 89 89 LEU CB C 89 41.538 41.538 41.283 0.255 19773 68 1 . 1 1 89 89 LEU H H 89 8.021 8.021 7.510 0.511 19773 69 1 . 1 1 90 90 LYS N N 90 120.483 120.483 119.259 1.224 19773 70 1 . 1 1 90 90 LYS HA H 90 4.148 4.148 4.038 0.110 19773 71 1 . 1 1 90 90 LYS CA C 90 57.557 57.557 59.191 -1.634 19773 72 1 . 1 1 90 90 LYS CB C 90 32.215 32.215 32.214 0.001 19773 73 1 . 1 1 90 90 LYS H H 90 7.896 7.896 7.776 0.120 19773 74 1 . 1 1 91 91 MET N N 91 119.156 119.156 119.298 -0.142 19773 75 1 . 1 1 91 91 MET HA H 91 4.291 4.291 4.216 0.075 19773 76 1 . 1 1 91 91 MET CA C 91 56.541 56.541 58.451 -1.910 19773 77 1 . 1 1 91 91 MET H H 91 8.320 8.320 8.258 0.062 19773 78 1 . 1 1 92 92 SER N N 92 116.382 116.382 115.633 0.749 19773 79 1 . 1 1 92 92 SER HA H 92 4.291 4.291 4.140 0.151 19773 80 1 . 1 1 92 92 SER CA C 92 59.584 59.584 61.774 -2.190 19773 81 1 . 1 1 92 92 SER CB C 92 63.074 63.074 62.635 0.439 19773 82 1 . 1 1 92 92 SER H H 92 8.297 8.297 7.979 0.318 19773 83 1 . 1 1 93 93 GLU N N 93 122.202 122.202 121.236 0.966 19773 84 1 . 1 1 93 93 GLU HA H 93 4.135 4.135 4.025 0.110 19773 85 1 . 1 1 93 93 GLU CA C 93 57.508 57.508 59.051 -1.543 19773 86 1 . 1 1 93 93 GLU CB C 93 29.613 29.613 29.319 0.294 19773 87 1 . 1 1 93 93 GLU H H 93 8.313 8.313 7.748 0.565 19773 88 1 . 1 1 94 94 GLN N N 94 119.546 119.546 118.370 1.176 19773 89 1 . 1 1 94 94 GLN HA H 94 4.135 4.135 4.101 0.034 19773 90 1 . 1 1 94 94 GLN CA C 94 56.877 56.877 58.205 -1.328 19773 91 1 . 1 1 94 94 GLN CB C 94 28.826 28.826 28.660 0.166 19773 92 1 . 1 1 94 94 GLN H H 94 8.177 8.177 7.747 0.430 19773 93 1 . 1 1 95 95 GLU N N 95 121.030 121.030 116.661 4.369 19773 94 1 . 1 1 95 95 GLU HA H 95 4.066 4.066 4.278 -0.212 19773 95 1 . 1 1 95 95 GLU CA C 95 57.161 57.161 56.428 0.733 19773 96 1 . 1 1 95 95 GLU CB C 95 29.906 29.906 29.928 -0.022 19773 97 1 . 1 1 95 95 GLU H H 95 8.281 8.281 7.765 0.516 19773 98 1 . 1 1 96 96 ALA N N 96 123.530 123.530 120.000 3.530 19773 99 1 . 1 1 96 96 ALA HA H 96 4.183 4.183 3.972 0.211 19773 100 1 . 1 1 96 96 ALA CA C 96 52.759 52.759 53.323 -0.564 19773 101 1 . 1 1 96 96 ALA CB C 96 18.405 18.405 17.372 1.033 19773 102 1 . 1 1 96 96 ALA H H 96 8.242 8.242 7.743 0.499 19773 103 1 . 1 1 97 97 ARG N N 97 119.624 119.624 117.748 1.876 19773 104 1 . 1 1 97 97 ARG HA H 97 4.209 4.209 4.184 0.025 19773 105 1 . 1 1 97 97 ARG CA C 97 56.469 56.469 56.595 -0.126 19773 106 1 . 1 1 97 97 ARG CB C 97 30.641 30.641 30.451 0.190 19773 107 1 . 1 1 97 97 ARG H H 97 8.131 8.131 8.058 0.073 19773 108 1 . 1 1 98 98 GLU N N 98 121.837 121.837 118.861 2.976 19773 109 1 . 1 1 98 98 GLU HA H 98 4.177 4.177 4.213 -0.036 19773 110 1 . 1 1 98 98 GLU CA C 98 56.531 56.531 56.685 -0.154 19773 111 1 . 1 1 98 98 GLU CB C 98 29.665 29.665 30.044 -0.379 19773 112 1 . 1 1 98 98 GLU H H 98 8.374 8.374 8.368 0.006 19773 113 1 . 1 1 99 99 VAL N N 99 121.265 121.265 121.247 0.018 19773 114 1 . 1 1 99 99 VAL HA H 99 3.974 3.974 4.053 -0.079 19773 115 1 . 1 1 99 99 VAL CA C 99 62.503 62.503 62.011 0.492 19773 116 1 . 1 1 99 99 VAL CB C 99 32.457 32.457 32.446 0.011 19773 117 1 . 1 1 99 99 VAL H H 99 8.261 8.261 7.970 0.291 19773 118 1 . 1 1 100 100 ASN N N 100 122.280 122.280 122.552 -0.272 19773 119 1 . 1 1 100 100 ASN HA H 100 4.718 4.718 4.704 0.014 19773 120 1 . 1 1 100 100 ASN CA C 100 53.117 53.117 53.276 -0.159 19773 121 1 . 1 1 100 100 ASN CB C 100 38.768 38.768 39.242 -0.473 19773 122 1 . 1 1 100 100 ASN H H 100 8.639 8.639 8.501 0.138 19773 123 1 . 1 1 101 101 SER N N 101 117.046 117.046 120.450 -3.404 19773 124 1 . 1 1 101 101 SER HA H 101 4.349 4.349 4.179 0.170 19773 125 1 . 1 1 101 101 SER CA C 101 58.970 58.970 61.569 -2.599 19773 126 1 . 1 1 101 101 SER CB C 101 63.397 63.397 63.148 0.249 19773 127 1 . 1 1 101 101 SER H H 101 8.542 8.542 8.929 -0.387 19773 128 1 . 1 1 102 102 GLN N N 102 122.514 122.514 120.310 2.204 19773 129 1 . 1 1 102 102 GLN HA H 102 4.203 4.203 4.119 0.084 19773 130 1 . 1 1 102 102 GLN CA C 102 57.170 57.170 59.115 -1.945 19773 131 1 . 1 1 102 102 GLN CB C 102 28.389 28.389 28.220 0.169 19773 132 1 . 1 1 102 102 GLN H H 102 8.594 8.594 8.565 0.029 19773 133 1 . 1 1 103 103 GLU N N 103 120.874 120.874 119.624 1.250 19773 134 1 . 1 1 103 103 GLU HA H 103 4.093 4.093 4.075 0.018 19773 135 1 . 1 1 103 103 GLU CA C 103 57.993 57.993 59.359 -1.366 19773 136 1 . 1 1 103 103 GLU CB C 103 29.489 29.489 29.168 0.321 19773 137 1 . 1 1 103 103 GLU H H 103 8.496 8.496 8.194 0.302 19773 138 1 . 1 1 104 104 GLU N N 104 120.874 120.874 119.241 1.633 19773 139 1 . 1 1 104 104 GLU HA H 104 4.122 4.122 4.073 0.049 19773 140 1 . 1 1 104 104 GLU CA C 104 57.847 57.847 59.253 -1.406 19773 141 1 . 1 1 104 104 GLU CB C 104 29.643 29.643 29.441 0.202 19773 142 1 . 1 1 104 104 GLU H H 104 8.379 8.379 7.838 0.541 19773 143 1 . 1 1 105 105 GLU N N 105 121.421 121.421 119.590 1.831 19773 144 1 . 1 1 105 105 GLU HA H 105 4.121 4.121 4.044 0.077 19773 145 1 . 1 1 105 105 GLU CA C 105 58.082 58.082 59.282 -1.200 19773 146 1 . 1 1 105 105 GLU H H 105 8.437 8.437 7.970 0.467 19773 147 1 . 1 1 106 106 GLU N N 106 120.640 120.640 119.445 1.195 19773 148 1 . 1 1 106 106 GLU HA H 106 4.004 4.004 4.013 -0.009 19773 149 1 . 1 1 106 106 GLU CA C 106 58.675 58.675 59.329 -0.654 19773 150 1 . 1 1 106 106 GLU CB C 106 29.321 29.321 29.476 -0.155 19773 151 1 . 1 1 106 106 GLU H H 106 8.463 8.463 7.964 0.499 19773 152 1 . 1 1 107 107 GLU N N 107 120.249 120.249 119.703 0.546 19773 153 1 . 1 1 107 107 GLU HA H 107 4.045 4.045 3.994 0.051 19773 154 1 . 1 1 107 107 GLU CA C 107 59.002 59.002 59.470 -0.468 19773 155 1 . 1 1 107 107 GLU CB C 107 29.036 29.036 29.456 -0.420 19773 156 1 . 1 1 107 107 GLU H H 107 8.385 8.385 7.955 0.430 19773 157 1 . 1 1 108 108 GLU N N 108 120.902 120.902 119.691 1.211 19773 158 1 . 1 1 108 108 GLU HA H 108 4.128 4.128 4.082 0.046 19773 159 1 . 1 1 108 108 GLU CA C 108 58.402 58.402 59.190 -0.788 19773 160 1 . 1 1 108 108 GLU CB C 108 28.820 28.820 29.428 -0.608 19773 161 1 . 1 1 108 108 GLU H H 108 8.125 8.125 7.836 0.289 19773 162 1 . 1 1 109 109 LEU N N 109 120.327 120.327 120.213 0.114 19773 163 1 . 1 1 109 109 LEU HA H 109 3.994 3.994 4.035 -0.041 19773 164 1 . 1 1 109 109 LEU CA C 109 57.460 57.460 57.738 -0.278 19773 165 1 . 1 1 109 109 LEU CB C 109 41.485 41.485 41.682 -0.197 19773 166 1 . 1 1 109 109 LEU H H 109 8.085 8.085 7.876 0.209 19773 167 1 . 1 1 110 110 LEU N N 110 121.108 121.108 120.039 1.069 19773 168 1 . 1 1 110 110 LEU HA H 110 4.155 4.155 3.933 0.222 19773 169 1 . 1 1 110 110 LEU CA C 110 57.197 57.197 58.142 -0.945 19773 170 1 . 1 1 110 110 LEU CB C 110 41.472 41.472 41.475 -0.003 19773 171 1 . 1 1 110 110 LEU H H 110 7.948 7.948 8.099 -0.151 19773 172 1 . 1 1 111 111 ARG N N 111 119.390 119.390 118.959 0.431 19773 173 1 . 1 1 111 111 ARG HA H 111 3.902 3.902 3.921 -0.018 19773 174 1 . 1 1 111 111 ARG CA C 111 59.013 59.013 59.620 -0.608 19773 175 1 . 1 1 111 111 ARG CB C 111 29.965 29.965 29.898 0.067 19773 176 1 . 1 1 111 111 ARG H H 111 8.111 8.111 8.123 -0.012 19773 177 1 . 1 1 112 112 LYS N N 112 120.418 120.418 119.612 0.806 19773 178 1 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.026 0.033 19773 179 1 . 1 1 112 112 LYS CA C 112 58.715 58.715 59.342 -0.627 19773 180 1 . 1 1 112 112 LYS CB C 112 32.443 32.443 32.250 0.193 19773 181 1 . 1 1 112 112 LYS H H 112 8.273 8.273 7.856 0.417 19773 182 1 . 1 1 113 113 ALA N N 113 122.758 122.758 122.487 0.271 19773 183 1 . 1 1 113 113 ALA HA H 113 4.169 4.169 4.109 0.060 19773 184 1 . 1 1 113 113 ALA CA C 113 54.293 54.293 55.031 -0.738 19773 185 1 . 1 1 113 113 ALA CB C 113 18.053 18.053 18.284 -0.232 19773 186 1 . 1 1 113 113 ALA H H 113 7.978 7.978 7.873 0.105 19773 187 1 . 1 1 114 114 ILE N N 114 120.171 120.171 119.117 1.054 19773 188 1 . 1 1 114 114 ILE HA H 114 3.766 3.766 3.689 0.077 19773 189 1 . 1 1 114 114 ILE CA C 114 63.420 63.420 64.402 -0.982 19773 190 1 . 1 1 114 114 ILE CB C 114 38.078 38.078 37.428 0.650 19773 191 1 . 1 1 114 114 ILE H H 114 8.229 8.229 7.831 0.398 19773 192 1 . 1 1 115 115 ALA N N 115 123.999 123.999 122.119 1.880 19773 193 1 . 1 1 115 115 ALA HA H 115 4.107 4.107 3.945 0.162 19773 194 1 . 1 1 115 115 ALA CA C 115 54.321 54.321 55.458 -1.137 19773 195 1 . 1 1 115 115 ALA CB C 115 18.054 18.054 18.034 0.020 19773 196 1 . 1 1 115 115 ALA H H 115 8.072 8.072 8.065 0.007 19773 197 1 . 1 1 116 116 GLU N N 116 118.140 118.140 118.543 -0.403 19773 198 1 . 1 1 116 116 GLU HA H 116 4.120 4.120 4.006 0.114 19773 199 1 . 1 1 116 116 GLU CA C 116 57.776 57.776 59.053 -1.277 19773 200 1 . 1 1 116 116 GLU CB C 116 29.311 29.311 29.435 -0.124 19773 201 1 . 1 1 116 116 GLU H H 116 8.313 8.313 8.277 0.036 19773 202 1 . 1 1 117 117 SER N N 117 115.640 115.640 115.320 0.320 19773 203 1 . 1 1 117 117 SER HA H 117 4.291 4.291 4.200 0.091 19773 204 1 . 1 1 117 117 SER CA C 117 59.647 59.647 61.401 -1.754 19773 205 1 . 1 1 117 117 SER CB C 117 63.022 63.022 63.128 -0.106 19773 206 1 . 1 1 117 117 SER H H 117 8.040 8.040 7.859 0.181 19773 207 1 . 1 1 118 118 LEU N N 118 122.593 122.593 119.566 3.027 19773 208 1 . 1 1 118 118 LEU HA H 118 4.224 4.224 4.116 0.108 19773 209 1 . 1 1 118 118 LEU CA C 118 55.875 55.875 56.899 -1.024 19773 210 1 . 1 1 118 118 LEU CB C 118 41.794 41.794 42.011 -0.217 19773 211 1 . 1 1 118 118 LEU H H 118 7.968 7.968 7.755 0.213 19773 212 1 . 1 1 119 119 ASN N N 119 117.828 117.828 114.605 3.223 19773 213 1 . 1 1 119 119 ASN HA H 119 4.634 4.634 4.683 -0.049 19773 214 1 . 1 1 119 119 ASN CA C 119 53.533 53.533 53.933 -0.400 19773 215 1 . 1 1 119 119 ASN CB C 119 38.545 38.545 38.922 -0.377 19773 216 1 . 1 1 119 119 ASN H H 119 8.183 8.183 7.833 0.350 19773 217 1 . 1 1 120 120 SER N N 120 115.484 115.484 115.875 -0.391 19773 218 1 . 1 1 120 120 SER HA H 120 4.332 4.332 4.441 -0.108 19773 219 1 . 1 1 120 120 SER CA C 120 58.417 58.417 58.566 -0.149 19773 220 1 . 1 1 120 120 SER CB C 120 63.386 63.386 64.096 -0.710 19773 221 1 . 1 1 120 120 SER H H 120 8.183 8.183 7.639 0.544 19773 222 1 . 1 1 121 121 CYS N N 121 123.139 123.139 123.173 -0.034 19773 223 1 . 1 1 121 121 CYS CA C 121 55.898 55.898 58.574 -2.676 19773 224 1 . 1 1 121 121 CYS CB C 121 30.564 30.564 29.079 1.485 19773 225 1 . 1 1 121 121 CYS H H 121 8.450 8.450 8.313 0.137 19773 226 1 . 1 1 124 124 SER N N 124 116.031 116.031 117.726 -1.695 19773 227 1 . 1 1 124 124 SER HA H 124 4.311 4.311 4.359 -0.048 19773 228 1 . 1 1 124 124 SER CA C 124 58.360 58.360 58.324 0.036 19773 229 1 . 1 1 124 124 SER CB C 124 63.486 63.486 63.922 -0.436 19773 230 1 . 1 1 124 124 SER H H 124 8.587 8.587 8.250 0.337 19773 231 1 . 1 1 125 125 ASP N N 125 122.514 122.514 123.057 -0.543 19773 232 1 . 1 1 125 125 ASP HA H 125 4.555 4.555 4.626 -0.071 19773 233 1 . 1 1 125 125 ASP CA C 125 54.016 54.016 54.220 -0.204 19773 234 1 . 1 1 125 125 ASP CB C 125 40.864 40.864 41.763 -0.899 19773 235 1 . 1 1 125 125 ASP H H 125 8.424 8.424 8.429 -0.005 19773 236 1 . 1 1 126 126 ALA N N 126 124.858 124.858 127.449 -2.591 19773 237 1 . 1 1 126 126 ALA HA H 126 4.223 4.223 4.130 0.093 19773 238 1 . 1 1 126 126 ALA CA C 126 52.755 52.755 54.174 -1.419 19773 239 1 . 1 1 126 126 ALA CB C 126 18.695 18.695 18.939 -0.244 19773 240 1 . 1 1 126 126 ALA H H 126 8.398 8.398 8.595 -0.197 19773 241 1 . 1 1 127 127 SER N N 127 114.781 114.781 113.779 1.002 19773 242 1 . 1 1 127 127 SER HA H 127 4.296 4.296 4.372 -0.076 19773 243 1 . 1 1 127 127 SER CA C 127 58.476 58.476 58.448 0.028 19773 244 1 . 1 1 127 127 SER CB C 127 63.408 63.408 63.572 -0.164 19773 245 1 . 1 1 127 127 SER H H 127 8.398 8.398 8.117 0.281 19773 246 1 . 1 1 128 128 ALA N N 128 125.639 125.639 121.412 4.227 19773 247 1 . 1 1 128 128 ALA HA H 128 4.286 4.286 4.069 0.217 19773 248 1 . 1 1 128 128 ALA CA C 128 52.412 52.412 53.108 -0.696 19773 249 1 . 1 1 128 128 ALA CB C 128 19.000 19.000 17.217 1.783 19773 250 1 . 1 1 128 128 ALA H H 128 8.261 8.261 7.610 0.651 19773 251 1 . 1 1 129 129 THR N N 129 113.687 113.687 114.002 -0.315 19773 252 1 . 1 1 129 129 THR HA H 129 4.223 4.223 4.284 -0.061 19773 253 1 . 1 1 129 129 THR CA C 129 61.793 61.793 61.929 -0.136 19773 254 1 . 1 1 129 129 THR CB C 129 69.378 69.378 69.664 -0.286 19773 255 1 . 1 1 129 129 THR H H 129 8.196 8.196 7.762 0.434 19773 256 1 . 1 1 130 130 ARG N N 130 124.467 124.467 124.960 -0.493 19773 257 1 . 1 1 130 130 ARG HA H 130 4.373 4.373 4.374 -0.001 19773 258 1 . 1 1 130 130 ARG CA C 130 55.568 55.568 56.388 -0.820 19773 259 1 . 1 1 130 130 ARG CB C 130 30.647 30.647 30.729 -0.082 19773 260 1 . 1 1 130 130 ARG H H 130 8.450 8.450 8.520 -0.070 19773 stop_ save_