data_18612 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18612 _Entry.PDB_ID 2LW7 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 18612 _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 GLU N N 2 120.329 120.329 122.038 -1.709 18612 2 1 1 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.307 -0.165 18612 3 1 1 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.150 0.920 18612 4 1 1 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.107 -0.607 18612 5 1 1 . 1 1 2 2 GLU H H 2 8.498 8.498 8.809 -0.310 18612 6 1 1 . 1 1 3 3 ARG N N 3 121.547 121.547 119.253 2.294 18612 7 1 1 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.050 -0.026 18612 8 1 1 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.499 -0.259 18612 9 1 1 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.839 0.111 18612 10 1 1 . 1 1 3 3 ARG H H 3 8.238 8.238 8.487 -0.249 18612 11 1 1 . 1 1 4 4 ALA N N 4 121.449 121.449 120.966 0.483 18612 12 1 1 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.136 0.067 18612 13 1 1 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.955 0.084 18612 14 1 1 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.951 -0.041 18612 15 1 1 . 1 1 4 4 ALA H H 4 8.068 8.068 8.464 -0.397 18612 16 1 1 . 1 1 5 5 ALA N N 5 121.000 121.000 121.377 -0.377 18612 17 1 1 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.068 0.150 18612 18 1 1 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.803 -0.060 18612 19 1 1 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.371 0.039 18612 20 1 1 . 1 1 5 5 ALA H H 5 7.831 7.831 7.582 0.249 18612 21 1 1 . 1 1 6 6 LEU N N 6 121.402 121.402 118.314 3.088 18612 22 1 1 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.016 0.145 18612 23 1 1 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.082 -0.132 18612 24 1 1 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.353 0.688 18612 25 1 1 . 1 1 6 6 LEU H H 6 7.919 7.919 7.769 0.150 18612 26 1 1 . 1 1 7 7 GLU N N 7 119.203 119.203 119.532 -0.329 18612 27 1 1 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.902 -0.044 18612 28 1 1 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.031 0.199 18612 29 1 1 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.289 0.251 18612 30 1 1 . 1 1 7 7 GLU H H 7 8.706 8.706 8.665 0.041 18612 31 1 1 . 1 1 8 8 GLU N N 8 120.194 120.194 119.816 0.378 18612 32 1 1 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.159 0.036 18612 33 1 1 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.593 0.577 18612 34 1 1 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.256 0.204 18612 35 1 1 . 1 1 8 8 GLU H H 8 7.761 7.761 7.754 0.007 18612 36 1 1 . 1 1 9 9 LEU N N 9 120.526 120.526 120.501 0.025 18612 37 1 1 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.103 0.061 18612 38 1 1 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.024 0.096 18612 39 1 1 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.976 -0.188 18612 40 1 1 . 1 1 9 9 LEU H H 9 7.913 7.913 7.676 0.237 18612 41 1 1 . 1 1 10 10 VAL N N 10 120.804 120.804 119.641 1.163 18612 42 1 1 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.486 -0.029 18612 43 1 1 . 1 1 10 10 VAL CA C 10 67.030 67.030 67.105 -0.075 18612 44 1 1 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.181 0.866 18612 45 1 1 . 1 1 10 10 VAL H H 10 8.570 8.570 8.251 0.319 18612 46 1 1 . 1 1 11 11 LYS N N 11 123.175 123.175 120.667 2.508 18612 47 1 1 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.971 0.073 18612 48 1 1 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.036 -0.167 18612 49 1 1 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.525 -0.133 18612 50 1 1 . 1 1 11 11 LYS H H 11 7.909 7.909 7.668 0.241 18612 51 1 1 . 1 1 12 12 LEU N N 12 120.772 120.772 114.992 5.780 18612 52 1 1 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.307 -0.201 18612 53 1 1 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.583 0.337 18612 54 1 1 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.217 0.620 18612 55 1 1 . 1 1 12 12 LEU H H 12 8.436 8.436 7.749 0.687 18612 56 1 1 . 1 1 13 13 GLN N N 13 121.677 121.677 120.145 1.532 18612 57 1 1 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.171 0.163 18612 58 1 1 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.218 -1.818 18612 59 1 1 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.560 -2.040 18612 60 1 1 . 1 1 13 13 GLN H H 13 8.710 8.710 7.887 0.823 18612 61 1 1 . 1 1 14 14 GLY N N 14 109.543 109.543 107.676 1.867 18612 62 1 1 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.767 0.796 18612 63 1 1 . 1 1 14 14 GLY H H 14 8.714 8.714 8.743 -0.029 18612 64 1 1 . 1 1 15 15 GLU N N 15 123.144 123.144 121.628 1.516 18612 65 1 1 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.022 0.126 18612 66 1 1 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.337 -0.367 18612 67 1 1 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.558 -0.098 18612 68 1 1 . 1 1 15 15 GLU H H 15 7.913 7.913 7.963 -0.050 18612 69 1 1 . 1 1 16 16 ARG N N 16 123.135 123.135 120.402 2.733 18612 70 1 1 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.155 -0.017 18612 71 1 1 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.213 -0.243 18612 72 1 1 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.456 -1.056 18612 73 1 1 . 1 1 16 16 ARG H H 16 8.104 8.104 7.797 0.307 18612 74 1 1 . 1 1 17 17 VAL N N 17 119.501 119.501 119.848 -0.347 18612 75 1 1 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.638 -0.225 18612 76 1 1 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.219 1.232 18612 77 1 1 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.785 0.273 18612 78 1 1 . 1 1 17 17 VAL H H 17 8.192 8.192 8.050 0.142 18612 79 1 1 . 1 1 18 18 ARG N N 18 119.372 119.372 119.252 0.120 18612 80 1 1 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.134 -0.200 18612 81 1 1 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.593 0.467 18612 82 1 1 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.920 0.352 18612 83 1 1 . 1 1 18 18 ARG H H 18 7.980 7.980 8.082 -0.102 18612 84 1 1 . 1 1 19 19 GLY N N 19 107.241 107.241 107.087 0.154 18612 85 1 1 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.071 0.291 18612 86 1 1 . 1 1 19 19 GLY H H 19 8.362 8.362 7.964 0.398 18612 87 1 1 . 1 1 20 20 LEU N N 20 122.627 122.627 120.544 2.083 18612 88 1 1 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.411 -0.362 18612 89 1 1 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.402 0.488 18612 90 1 1 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.963 0.457 18612 91 1 1 . 1 1 20 20 LEU H H 20 8.049 8.049 8.384 -0.335 18612 92 1 1 . 1 1 21 21 LYS N N 21 118.255 118.255 120.757 -2.502 18612 93 1 1 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.899 0.159 18612 94 1 1 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.603 0.407 18612 95 1 1 . 1 1 21 21 LYS CB C 21 32.594 32.594 31.997 0.597 18612 96 1 1 . 1 1 21 21 LYS H H 21 8.123 8.123 8.148 -0.025 18612 97 1 1 . 1 1 22 22 GLN N N 22 121.183 121.183 117.750 3.433 18612 98 1 1 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.190 -0.103 18612 99 1 1 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.575 0.185 18612 100 1 1 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.219 -0.619 18612 101 1 1 . 1 1 22 22 GLN H H 22 8.234 8.234 7.700 0.534 18612 102 1 1 . 1 1 23 23 GLN N N 23 116.219 116.219 117.058 -0.839 18612 103 1 1 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.289 -0.026 18612 104 1 1 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.258 -1.580 18612 105 1 1 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.914 -0.644 18612 106 1 1 . 1 1 23 23 GLN H H 23 7.820 7.820 7.778 0.042 18612 107 1 1 . 1 1 24 24 LYS N N 24 117.349 117.349 115.516 1.833 18612 108 1 1 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.599 -0.687 18612 109 1 1 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.455 1.575 18612 110 1 1 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.073 -4.223 18612 111 1 1 . 1 1 24 24 LYS H H 24 7.884 7.884 8.135 -0.251 18612 112 1 1 . 1 1 25 25 ALA N N 25 119.909 119.909 123.923 -4.014 18612 113 1 1 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.214 0.065 18612 114 1 1 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.478 -1.458 18612 115 1 1 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.982 3.338 18612 116 1 1 . 1 1 25 25 ALA H H 25 7.620 7.620 7.736 -0.116 18612 117 1 1 . 1 1 26 26 SER N N 26 113.188 113.188 111.689 1.499 18612 118 1 1 . 1 1 26 26 SER HA H 26 4.244 4.244 4.212 0.032 18612 119 1 1 . 1 1 26 26 SER CA C 26 58.390 58.390 57.884 0.506 18612 120 1 1 . 1 1 26 26 SER CB C 26 63.830 63.830 62.589 1.241 18612 121 1 1 . 1 1 26 26 SER H H 26 8.228 8.228 8.409 -0.181 18612 122 1 1 . 1 1 27 27 ALA N N 27 127.550 127.550 125.628 1.922 18612 123 1 1 . 1 1 27 27 ALA HA H 27 3.984 3.984 4.034 -0.050 18612 124 1 1 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.963 0.619 18612 125 1 1 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.323 0.448 18612 126 1 1 . 1 1 27 27 ALA H H 27 8.769 8.769 8.635 0.134 18612 127 1 1 . 1 1 28 28 GLU N N 28 117.317 117.317 117.859 -0.542 18612 128 1 1 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.077 -0.003 18612 129 1 1 . 1 1 28 28 GLU CA C 28 59.700 59.700 58.718 0.982 18612 130 1 1 . 1 1 28 28 GLU CB C 28 29.080 29.080 28.859 0.221 18612 131 1 1 . 1 1 28 28 GLU H H 28 8.830 8.830 8.596 0.234 18612 132 1 1 . 1 1 29 29 LEU N N 29 122.971 122.971 120.522 2.449 18612 133 1 1 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.257 0.054 18612 134 1 1 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.108 0.462 18612 135 1 1 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.873 -0.268 18612 136 1 1 . 1 1 29 29 LEU H H 29 7.401 7.401 7.777 -0.376 18612 137 1 1 . 1 1 30 30 ILE N N 30 118.784 118.784 120.199 -1.415 18612 138 1 1 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.651 -0.254 18612 139 1 1 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.190 1.120 18612 140 1 1 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.586 0.237 18612 141 1 1 . 1 1 30 30 ILE H H 30 8.019 8.019 8.865 -0.846 18612 142 1 1 . 1 1 31 31 GLU N N 31 118.215 118.215 119.509 -1.294 18612 143 1 1 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.953 0.015 18612 144 1 1 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.793 0.047 18612 145 1 1 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.435 0.005 18612 146 1 1 . 1 1 31 31 GLU H H 31 8.367 8.367 8.464 -0.097 18612 147 1 1 . 1 1 32 32 GLU N N 32 120.284 120.284 119.496 0.788 18612 148 1 1 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.068 0.086 18612 149 1 1 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.584 -0.204 18612 150 1 1 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.702 0.138 18612 151 1 1 . 1 1 32 32 GLU H H 32 7.667 7.667 7.730 -0.063 18612 152 1 1 . 1 1 33 33 GLU N N 33 120.010 120.010 118.784 1.226 18612 153 1 1 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.197 0.021 18612 154 1 1 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.377 -0.997 18612 155 1 1 . 1 1 33 33 GLU CB C 33 28.180 28.180 30.017 -1.837 18612 156 1 1 . 1 1 33 33 GLU H H 33 8.156 8.156 8.162 -0.006 18612 157 1 1 . 1 1 34 34 VAL N N 34 125.322 125.322 118.054 7.268 18612 158 1 1 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.693 -0.051 18612 159 1 1 . 1 1 34 34 VAL CA C 34 66.850 66.850 65.872 0.978 18612 160 1 1 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.056 1.784 18612 161 1 1 . 1 1 34 34 VAL H H 34 9.243 9.243 8.216 1.027 18612 162 1 1 . 1 1 35 35 ALA N N 35 123.214 123.214 122.905 0.309 18612 163 1 1 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.942 0.156 18612 164 1 1 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.423 0.319 18612 165 1 1 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.256 -1.006 18612 166 1 1 . 1 1 35 35 ALA H H 35 8.160 8.160 7.876 0.284 18612 167 1 1 . 1 1 36 36 LYS N N 36 117.979 117.979 118.681 -0.702 18612 168 1 1 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.028 -0.033 18612 169 1 1 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.177 0.623 18612 170 1 1 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.362 0.500 18612 171 1 1 . 1 1 36 36 LYS H H 36 7.607 7.607 7.641 -0.034 18612 172 1 1 . 1 1 37 37 LEU N N 37 120.957 120.957 121.988 -1.031 18612 173 1 1 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.095 -0.092 18612 174 1 1 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.035 0.474 18612 175 1 1 . 1 1 37 37 LEU CB C 37 42.030 42.030 42.022 0.008 18612 176 1 1 . 1 1 37 37 LEU H H 37 7.762 7.762 8.347 -0.585 18612 177 1 1 . 1 1 38 38 LEU N N 38 118.910 118.910 120.433 -1.523 18612 178 1 1 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.848 0.128 18612 179 1 1 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.557 -0.287 18612 180 1 1 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.243 -0.285 18612 181 1 1 . 1 1 38 38 LEU H H 38 8.636 8.636 8.455 0.181 18612 182 1 1 . 1 1 39 39 LYS N N 39 120.804 120.804 118.988 1.816 18612 183 1 1 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.986 0.094 18612 184 1 1 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.146 0.305 18612 185 1 1 . 1 1 39 39 LYS CB C 39 32.658 32.658 31.802 0.856 18612 186 1 1 . 1 1 39 39 LYS H H 39 7.864 7.864 7.740 0.124 18612 187 1 1 . 1 1 40 40 LEU N N 40 120.940 120.940 121.370 -0.430 18612 188 1 1 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.919 0.191 18612 189 1 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.103 -0.163 18612 190 1 1 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.750 1.336 18612 191 1 1 . 1 1 40 40 LEU H H 40 7.831 7.831 7.776 0.055 18612 192 1 1 . 1 1 41 41 LYS N N 41 117.563 117.563 118.627 -1.064 18612 193 1 1 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.936 -0.086 18612 194 1 1 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.614 0.466 18612 195 1 1 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.770 0.733 18612 196 1 1 . 1 1 41 41 LYS H H 41 8.493 8.493 8.431 0.062 18612 197 1 1 . 1 1 42 42 ALA N N 42 121.396 121.396 120.864 0.532 18612 198 1 1 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.192 -0.003 18612 199 1 1 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.190 0.090 18612 200 1 1 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.022 -0.122 18612 201 1 1 . 1 1 42 42 ALA H H 42 7.918 7.918 7.686 0.232 18612 202 1 1 . 1 1 43 43 GLN N N 43 116.883 116.883 117.914 -1.031 18612 203 1 1 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.114 0.022 18612 204 1 1 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.407 -0.997 18612 205 1 1 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.079 0.501 18612 206 1 1 . 1 1 43 43 GLN H H 43 7.591 7.591 7.809 -0.218 18612 207 1 1 . 1 1 44 44 LEU N N 44 119.828 119.828 113.524 6.304 18612 208 1 1 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.167 0.041 18612 209 1 1 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.726 -0.649 18612 210 1 1 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.572 -0.145 18612 211 1 1 . 1 1 44 44 LEU H H 44 7.574 7.574 7.640 -0.066 18612 212 1 1 . 1 1 45 45 GLY N N 45 106.906 106.906 104.493 2.413 18612 213 1 1 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.901 -0.377 18612 214 1 1 . 1 1 45 45 GLY H H 45 7.687 7.687 7.542 0.145 18612 215 1 1 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.389 0.058 18612 216 1 1 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.820 -0.710 18612 217 1 1 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.419 0.011 18612 218 1 1 . 1 1 47 47 ASP N N 47 121.060 121.060 116.739 4.321 18612 219 1 1 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.705 -0.127 18612 220 1 1 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.273 1.209 18612 221 1 1 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.934 -1.931 18612 222 1 1 . 1 1 47 47 ASP H H 47 8.446 8.446 7.959 0.487 18612 223 1 1 . 1 1 48 48 GLU N N 48 123.347 123.347 122.963 0.384 18612 224 1 1 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.278 -0.034 18612 225 1 1 . 1 1 48 48 GLU CA C 48 56.930 56.930 58.795 -1.865 18612 226 1 1 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.016 0.531 18612 227 1 1 . 1 1 48 48 GLU H H 48 8.577 8.577 8.775 -0.198 18612 228 1 1 . 1 1 49 49 SER N N 49 116.751 116.751 114.806 1.945 18612 229 1 1 . 1 1 49 49 SER HA H 49 4.349 4.349 4.182 0.167 18612 230 1 1 . 1 1 49 49 SER CA C 49 59.380 59.380 60.708 -1.328 18612 231 1 1 . 1 1 49 49 SER CB C 49 63.460 63.460 63.082 0.378 18612 232 1 1 . 1 1 49 49 SER H H 49 8.399 8.399 8.827 -0.428 18612 233 1 1 . 1 1 50 50 LYS N N 50 121.935 121.935 120.123 1.812 18612 234 1 1 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.002 0.439 18612 235 1 1 . 1 1 50 50 LYS CA C 50 56.520 56.520 58.115 -1.595 18612 236 1 1 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.497 -2.042 18612 237 1 1 . 1 1 50 50 LYS H H 50 8.058 8.058 7.567 0.491 18612 238 1 1 . 1 1 51 51 GLN N N 51 122.155 122.155 118.987 3.168 18612 239 1 1 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.222 -0.019 18612 240 1 1 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.873 0.336 18612 241 1 1 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.355 1.433 18612 242 1 1 . 1 1 51 51 GLN H H 51 8.273 8.273 7.685 0.588 18612 243 1 1 . 1 1 52 52 LYS N N 52 122.761 122.761 121.423 1.338 18612 244 1 1 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.393 -0.078 18612 245 1 1 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.664 0.816 18612 246 1 1 . 1 1 52 52 LYS CB C 52 32.922 32.922 34.029 -1.107 18612 247 1 1 . 1 1 52 52 LYS H H 52 8.251 8.251 8.377 -0.126 18612 248 1 1 . 1 1 53 53 PHE N N 53 121.326 121.326 118.366 2.960 18612 249 1 1 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.149 0.495 18612 250 1 1 . 1 1 53 53 PHE CA C 53 57.640 57.640 58.661 -1.022 18612 251 1 1 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.238 1.350 18612 252 1 1 . 1 1 53 53 PHE H H 53 8.153 8.153 8.376 -0.223 18612 253 1 1 . 1 1 54 54 VAL N N 54 122.941 122.941 114.891 8.050 18612 254 1 1 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.815 0.228 18612 255 1 1 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.790 -0.810 18612 256 1 1 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.020 1.161 18612 257 1 1 . 1 1 54 54 VAL H H 54 7.960 7.960 7.625 0.335 18612 258 1 1 . 1 1 55 55 LEU N N 55 126.751 126.751 119.260 7.491 18612 259 1 1 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.724 -0.411 18612 260 1 1 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.221 0.839 18612 261 1 1 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.419 -0.103 18612 262 1 1 . 1 1 55 55 LEU H H 55 8.226 8.226 7.967 0.259 18612 263 1 1 . 1 1 56 56 LYS N N 56 123.614 123.614 118.190 5.424 18612 264 1 1 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.265 0.107 18612 265 1 1 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.895 -0.983 18612 266 1 1 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.549 0.642 18612 267 1 1 . 1 1 56 56 LYS H H 56 8.320 8.320 8.397 -0.077 18612 268 1 1 . 1 1 57 57 THR N N 57 115.794 115.794 115.537 0.257 18612 269 1 1 . 1 1 57 57 THR HA H 57 4.349 4.349 4.591 -0.242 18612 270 1 1 . 1 1 57 57 THR CA C 57 58.960 58.960 60.715 -1.756 18612 271 1 1 . 1 1 57 57 THR CB C 57 70.740 70.740 69.886 0.854 18612 272 1 1 . 1 1 57 57 THR H H 57 7.892 7.892 8.508 -0.616 18612 273 1 1 . 1 1 59 59 LYS N N 59 121.755 121.755 120.871 0.884 18612 274 1 1 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.492 -0.265 18612 275 1 1 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.516 0.004 18612 276 1 1 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.811 -0.717 18612 277 1 1 . 1 1 59 59 LYS H H 59 8.300 8.300 8.722 -0.422 18612 278 1 1 . 1 1 60 60 ALA N N 60 125.263 125.263 121.832 3.431 18612 279 1 1 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.517 -0.239 18612 280 1 1 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.240 0.624 18612 281 1 1 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.688 -0.708 18612 282 1 1 . 1 1 60 60 ALA H H 60 8.290 8.290 8.219 0.071 18612 283 1 1 . 1 1 61 61 LEU N N 61 121.255 121.255 123.308 -2.053 18612 284 1 1 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.351 -0.071 18612 285 1 1 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.960 0.625 18612 286 1 1 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.474 0.771 18612 287 1 1 . 1 1 61 61 LEU H H 61 8.144 8.144 8.127 0.017 18612 288 1 1 . 1 1 62 62 GLU N N 62 121.401 121.401 122.285 -0.884 18612 289 1 1 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.051 0.225 18612 290 1 1 . 1 1 62 62 GLU CA C 62 56.930 56.930 57.439 -0.509 18612 291 1 1 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.213 0.022 18612 292 1 1 . 1 1 62 62 GLU H H 62 8.266 8.266 8.756 -0.490 18612 293 1 1 . 1 1 64 64 LYS N N 64 120.575 120.575 120.335 0.240 18612 294 1 1 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.583 -0.339 18612 295 1 1 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.096 0.989 18612 296 1 1 . 1 1 64 64 LYS CB C 64 29.470 29.470 35.247 -5.777 18612 297 1 1 . 1 1 64 64 LYS H H 64 8.106 8.106 8.134 -0.028 18612 298 1 1 . 1 1 65 65 ILE N N 65 122.492 122.492 118.380 4.112 18612 299 1 1 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.303 -0.163 18612 300 1 1 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.855 0.326 18612 301 1 1 . 1 1 65 65 ILE CB C 65 38.550 38.550 38.571 -0.021 18612 302 1 1 . 1 1 65 65 ILE H H 65 8.135 8.135 8.235 -0.100 18612 303 1 1 . 1 1 66 66 ARG N N 66 125.714 125.714 121.449 4.265 18612 304 1 1 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.572 -0.104 18612 305 1 1 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.879 0.188 18612 306 1 1 . 1 1 66 66 ARG CB C 66 31.026 31.026 32.359 -1.333 18612 307 1 1 . 1 1 66 66 ARG H H 66 8.402 8.402 8.440 -0.038 18612 308 1 1 . 1 1 67 67 THR N N 67 115.622 115.622 114.252 1.370 18612 309 1 1 . 1 1 67 67 THR HA H 67 4.445 4.445 4.634 -0.189 18612 310 1 1 . 1 1 67 67 THR CA C 67 61.650 61.650 61.852 -0.202 18612 311 1 1 . 1 1 67 67 THR CB C 67 69.620 69.620 70.345 -0.725 18612 312 1 1 . 1 1 67 67 THR H H 67 8.281 8.281 8.246 0.035 18612 313 1 1 . 1 1 68 68 THR N N 68 116.774 116.774 118.104 -1.330 18612 314 1 1 . 1 1 68 68 THR HA H 68 4.503 4.503 4.372 0.131 18612 315 1 1 . 1 1 68 68 THR CA C 68 61.050 61.050 62.502 -1.452 18612 316 1 1 . 1 1 68 68 THR CB C 68 69.210 69.210 69.585 -0.375 18612 317 1 1 . 1 1 68 68 THR H H 68 8.076 8.076 8.106 -0.030 18612 318 1 1 . 1 1 69 69 GLU N N 69 124.048 124.048 122.236 1.812 18612 319 1 1 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.434 -0.058 18612 320 1 1 . 1 1 69 69 GLU CA C 69 56.400 56.400 55.981 0.419 18612 321 1 1 . 1 1 69 69 GLU CB C 69 30.618 30.618 29.069 1.549 18612 322 1 1 . 1 1 69 69 GLU H H 69 8.515 8.515 8.076 0.439 18612 323 1 1 . 1 1 70 70 THR N N 70 118.988 118.988 116.926 2.062 18612 324 1 1 . 1 1 70 70 THR HA H 70 3.741 3.741 4.331 -0.590 18612 325 1 1 . 1 1 70 70 THR CA C 70 64.680 64.680 63.193 1.487 18612 326 1 1 . 1 1 70 70 THR CB C 70 68.770 68.770 69.573 -0.803 18612 327 1 1 . 1 1 70 70 THR H H 70 8.259 8.259 7.658 0.601 18612 328 1 1 . 1 1 71 71 GLN N N 71 125.858 125.858 125.062 0.796 18612 329 1 1 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.505 -0.211 18612 330 1 1 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.480 0.920 18612 331 1 1 . 1 1 71 71 GLN CB C 71 32.071 32.071 29.371 2.700 18612 332 1 1 . 1 1 71 71 GLN H H 71 8.795 8.795 8.867 -0.072 18612 333 1 1 . 1 1 72 72 VAL N N 72 113.505 113.505 112.097 1.408 18612 334 1 1 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.140 -0.242 18612 335 1 1 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.824 -1.204 18612 336 1 1 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.809 -0.405 18612 337 1 1 . 1 1 72 72 VAL H H 72 7.325 7.325 7.176 0.149 18612 338 1 1 . 1 1 73 73 LEU N N 73 128.725 128.725 120.017 8.708 18612 339 1 1 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.677 0.415 18612 340 1 1 . 1 1 73 73 LEU CA C 73 52.740 52.740 55.471 -2.731 18612 341 1 1 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.471 -1.389 18612 342 1 1 . 1 1 73 73 LEU H H 73 8.170 8.170 8.237 -0.067 18612 343 1 1 . 1 1 74 74 VAL N N 74 127.634 127.634 125.800 1.834 18612 344 1 1 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.887 -0.121 18612 345 1 1 . 1 1 74 74 VAL CA C 74 62.090 62.090 59.898 2.192 18612 346 1 1 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.111 -1.421 18612 347 1 1 . 1 1 74 74 VAL H H 74 8.913 8.913 8.361 0.552 18612 348 1 1 . 1 1 75 75 ALA N N 75 132.602 132.602 129.814 2.788 18612 349 1 1 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.621 0.186 18612 350 1 1 . 1 1 75 75 ALA CA C 75 50.900 50.900 49.813 1.087 18612 351 1 1 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.603 2.317 18612 352 1 1 . 1 1 75 75 ALA H H 75 9.421 9.421 9.048 0.373 18612 353 1 1 . 1 1 76 76 SER N N 76 111.274 111.274 113.366 -2.092 18612 354 1 1 . 1 1 76 76 SER HA H 76 4.951 4.951 4.910 0.041 18612 355 1 1 . 1 1 76 76 SER CA C 76 56.940 56.940 56.779 0.161 18612 356 1 1 . 1 1 76 76 SER CB C 76 65.960 65.960 66.786 -0.826 18612 357 1 1 . 1 1 76 76 SER H H 76 8.106 8.106 8.459 -0.353 18612 358 1 1 . 1 1 77 77 ALA N N 77 125.393 125.393 122.228 3.165 18612 359 1 1 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.536 -0.075 18612 360 1 1 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.182 1.572 18612 361 1 1 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.617 -0.877 18612 362 1 1 . 1 1 77 77 ALA H H 77 9.004 9.004 8.412 0.592 18612 363 1 1 . 1 1 78 78 GLN N N 78 116.290 116.290 116.598 -0.308 18612 364 1 1 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.076 0.367 18612 365 1 1 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.872 0.758 18612 366 1 1 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.193 1.360 18612 367 1 1 . 1 1 78 78 GLN H H 78 7.985 7.985 8.373 -0.388 18612 368 1 1 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.490 0.073 18612 369 1 1 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.578 -7.578 18612 370 1 1 . 1 1 81 81 LEU CB C 81 41.021 41.021 41.786 -0.765 18612 371 1 1 . 1 1 82 82 LEU HA H 82 4.798 4.798 3.752 1.046 18612 372 1 1 . 1 1 83 83 GLU HA H 83 3.906 3.906 3.978 -0.072 18612 373 1 1 . 1 1 85 85 ARG N N 85 119.948 119.948 118.775 1.173 18612 374 1 1 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.058 -0.187 18612 375 1 1 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.284 1.396 18612 376 1 1 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.775 2.146 18612 377 1 1 . 1 1 85 85 ARG H H 85 8.229 8.229 8.406 -0.177 18612 378 1 1 . 1 1 86 86 LEU N N 86 120.227 120.227 120.169 0.058 18612 379 1 1 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.079 -0.253 18612 380 1 1 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.667 0.523 18612 381 1 1 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.883 -0.295 18612 382 1 1 . 1 1 86 86 LEU H H 86 8.459 8.459 7.861 0.598 18612 383 1 1 . 1 1 87 87 LYS N N 87 120.470 120.470 120.216 0.254 18612 384 1 1 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.939 0.082 18612 385 1 1 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.705 -0.325 18612 386 1 1 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.464 0.434 18612 387 1 1 . 1 1 87 87 LYS H H 87 7.945 7.945 7.629 0.316 18612 388 1 1 . 1 1 88 88 LEU N N 88 119.799 119.799 120.054 -0.255 18612 389 1 1 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.138 0.069 18612 390 1 1 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.224 0.456 18612 391 1 1 . 1 1 88 88 LEU CB C 88 41.225 41.225 40.911 0.314 18612 392 1 1 . 1 1 88 88 LEU H H 88 7.547 7.547 7.887 -0.340 18612 393 1 1 . 1 1 89 89 VAL N N 89 118.828 118.828 118.804 0.024 18612 394 1 1 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.554 -0.236 18612 395 1 1 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.672 1.078 18612 396 1 1 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.770 -0.392 18612 397 1 1 . 1 1 89 89 VAL H H 89 8.347 8.347 7.874 0.473 18612 398 1 1 . 1 1 90 90 SER N N 90 114.835 114.835 115.250 -0.415 18612 399 1 1 . 1 1 90 90 SER HA H 90 4.207 4.207 4.087 0.120 18612 400 1 1 . 1 1 90 90 SER CA C 90 62.000 62.000 61.622 0.378 18612 401 1 1 . 1 1 90 90 SER CB C 90 62.770 62.770 62.950 -0.180 18612 402 1 1 . 1 1 90 90 SER H H 90 7.942 7.942 7.688 0.254 18612 403 1 1 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.982 0.061 18612 404 1 1 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.547 -0.107 18612 405 1 1 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.615 0.619 18612 406 1 1 . 1 1 92 92 LEU N N 92 119.720 119.720 121.242 -1.522 18612 407 1 1 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.903 0.045 18612 408 1 1 . 1 1 92 92 LEU CA C 92 58.120 58.120 59.016 -0.896 18612 409 1 1 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.952 -1.376 18612 410 1 1 . 1 1 92 92 LEU H H 92 8.379 8.379 8.672 -0.293 18612 411 1 1 . 1 1 93 93 GLN N N 93 120.938 120.938 118.854 2.084 18612 412 1 1 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.189 0.364 18612 413 1 1 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.986 0.064 18612 414 1 1 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.230 -0.251 18612 415 1 1 . 1 1 93 93 GLN H H 93 8.751 8.751 8.417 0.334 18612 416 1 1 . 1 1 94 94 ASP N N 94 122.442 122.442 119.912 2.530 18612 417 1 1 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.446 0.013 18612 418 1 1 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.739 0.361 18612 419 1 1 . 1 1 94 94 ASP CB C 94 40.261 40.261 40.922 -0.661 18612 420 1 1 . 1 1 94 94 ASP H H 94 8.470 8.470 8.376 0.094 18612 421 1 1 . 1 1 95 95 ALA N N 95 120.437 120.437 120.162 0.275 18612 422 1 1 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.354 0.158 18612 423 1 1 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.165 -1.420 18612 424 1 1 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.795 0.225 18612 425 1 1 . 1 1 95 95 ALA H H 95 7.340 7.340 8.159 -0.819 18612 426 1 1 . 1 1 96 96 GLY N N 96 106.865 106.865 108.850 -1.985 18612 427 1 1 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.876 0.414 18612 428 1 1 . 1 1 96 96 GLY H H 96 7.987 7.987 7.984 0.003 18612 429 1 1 . 1 1 97 97 ILE N N 97 122.489 122.489 118.431 4.058 18612 430 1 1 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.341 -0.087 18612 431 1 1 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.331 0.319 18612 432 1 1 . 1 1 97 97 ILE CB C 97 37.973 37.973 39.150 -1.177 18612 433 1 1 . 1 1 97 97 ILE H H 97 8.062 8.062 7.528 0.534 18612 434 1 1 . 1 1 98 98 LYS N N 98 127.459 127.459 122.711 4.748 18612 435 1 1 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.663 -0.156 18612 436 1 1 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.269 0.652 18612 437 1 1 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.408 -0.974 18612 438 1 1 . 1 1 98 98 LYS H H 98 8.574 8.574 8.306 0.268 18612 439 1 1 . 1 1 99 99 ALA N N 99 130.423 130.423 126.787 3.636 18612 440 1 1 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.008 0.756 18612 441 1 1 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.392 -1.181 18612 442 1 1 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.339 3.531 18612 443 1 1 . 1 1 99 99 ALA H H 99 7.813 7.813 8.321 -0.508 18612 444 1 1 . 1 1 100 100 GLU N N 100 118.988 118.988 118.739 0.249 18612 445 1 1 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.577 0.258 18612 446 1 1 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.649 0.057 18612 447 1 1 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.179 2.742 18612 448 1 1 . 1 1 100 100 GLU H H 100 8.226 8.226 8.470 -0.244 18612 449 1 1 . 1 1 101 101 LEU N N 101 120.024 120.024 121.540 -1.516 18612 450 1 1 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.582 0.132 18612 451 1 1 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.044 0.716 18612 452 1 1 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.237 -0.153 18612 453 1 1 . 1 1 101 101 LEU H H 101 8.478 8.478 8.435 0.043 18612 454 1 1 . 1 1 102 102 LEU N N 102 118.623 118.623 124.251 -5.628 18612 455 1 1 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.724 -0.690 18612 456 1 1 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.963 4.497 18612 457 1 1 . 1 1 102 102 LEU CB C 102 41.225 41.225 46.501 -5.276 18612 458 1 1 . 1 1 102 102 LEU H H 102 8.763 8.763 8.200 0.563 18612 459 1 1 . 1 1 103 103 TYR N N 103 115.970 115.970 113.620 2.350 18612 460 1 1 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.872 -0.290 18612 461 1 1 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.349 -1.376 18612 462 1 1 . 1 1 103 103 TYR CB C 103 38.732 38.732 39.003 -0.271 18612 463 1 1 . 1 1 103 103 TYR H H 103 7.378 7.378 8.226 -0.848 18612 464 1 1 . 1 1 104 104 LYS N N 104 120.577 120.577 121.980 -1.403 18612 465 1 1 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.353 -0.214 18612 466 1 1 . 1 1 104 104 LYS CA C 104 56.480 56.480 55.361 1.119 18612 467 1 1 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.531 -0.609 18612 468 1 1 . 1 1 104 104 LYS H H 104 7.906 7.906 7.443 0.463 18612 469 1 1 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.951 0.078 18612 470 1 1 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.386 -0.387 18612 471 1 1 . 1 1 113 113 LEU N N 113 120.147 120.147 119.909 0.238 18612 472 1 1 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.195 -0.212 18612 473 1 1 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.472 0.948 18612 474 1 1 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.229 -0.636 18612 475 1 1 . 1 1 113 113 LEU H H 113 8.365 8.365 8.831 -0.466 18612 476 1 1 . 1 1 114 114 GLN N N 114 119.995 119.995 118.534 1.461 18612 477 1 1 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.002 0.035 18612 478 1 1 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.851 0.119 18612 479 1 1 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.385 -0.195 18612 480 1 1 . 1 1 114 114 GLN H H 114 8.126 8.126 7.848 0.278 18612 481 1 1 . 1 1 115 115 TYR N N 115 120.358 120.358 119.486 0.872 18612 482 1 1 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.256 0.039 18612 483 1 1 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.053 0.977 18612 484 1 1 . 1 1 115 115 TYR CB C 115 37.769 37.769 37.693 0.076 18612 485 1 1 . 1 1 115 115 TYR H H 115 7.819 7.819 8.032 -0.213 18612 486 1 1 . 1 1 116 116 CYS N N 116 116.264 116.264 117.940 -1.676 18612 487 1 1 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.629 0.187 18612 488 1 1 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.798 2.432 18612 489 1 1 . 1 1 116 116 CYS CB C 116 27.320 27.320 28.053 -0.733 18612 490 1 1 . 1 1 116 116 CYS H H 116 7.710 7.710 6.941 0.769 18612 491 1 1 . 1 1 117 117 GLU N N 117 119.526 119.526 119.368 0.158 18612 492 1 1 . 1 1 117 117 GLU HA H 117 3.848 3.848 3.976 -0.128 18612 493 1 1 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.439 -0.289 18612 494 1 1 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.550 0.150 18612 495 1 1 . 1 1 117 117 GLU H H 117 7.912 7.912 8.135 -0.223 18612 496 1 1 . 1 1 118 118 GLU N N 118 119.875 119.875 117.877 1.998 18612 497 1 1 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.226 -0.257 18612 498 1 1 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.736 0.044 18612 499 1 1 . 1 1 118 118 GLU CB C 118 29.810 29.810 30.043 -0.233 18612 500 1 1 . 1 1 118 118 GLU H H 118 7.988 7.988 7.839 0.149 18612 501 1 1 . 1 1 119 119 ALA N N 119 119.118 119.118 121.333 -2.215 18612 502 1 1 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.383 -0.217 18612 503 1 1 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.565 -0.910 18612 504 1 1 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.495 -0.415 18612 505 1 1 . 1 1 119 119 ALA H H 119 8.137 8.137 7.666 0.471 18612 506 1 1 . 1 1 120 120 GLY N N 120 106.604 106.604 107.682 -1.078 18612 507 1 1 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.190 2.187 18612 508 1 1 . 1 1 120 120 GLY H H 120 7.550 7.550 8.324 -0.774 18612 509 1 1 . 1 1 121 121 ILE N N 121 124.026 124.026 117.634 6.392 18612 510 1 1 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.155 -0.144 18612 511 1 1 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.522 0.528 18612 512 1 1 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.317 3.734 18612 513 1 1 . 1 1 121 121 ILE H H 121 7.918 7.918 7.492 0.425 18612 514 1 1 . 1 1 123 123 LEU N N 123 119.541 119.541 117.084 2.457 18612 515 1 1 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.757 0.746 18612 516 1 1 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.954 -0.268 18612 517 1 1 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.108 0.949 18612 518 1 1 . 1 1 123 123 LEU H H 123 6.973 6.973 7.757 -0.784 18612 519 1 1 . 1 1 124 124 VAL N N 124 119.580 119.580 121.111 -1.531 18612 520 1 1 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.185 -0.149 18612 521 1 1 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.056 -0.476 18612 522 1 1 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.968 -1.711 18612 523 1 1 . 1 1 124 124 VAL H H 124 8.823 8.823 9.111 -0.288 18612 524 1 1 . 1 1 125 125 ALA N N 125 130.810 130.810 124.962 5.848 18612 525 1 1 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.153 0.003 18612 526 1 1 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.084 -1.889 18612 527 1 1 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.952 -1.892 18612 528 1 1 . 1 1 125 125 ALA H H 125 9.083 9.083 9.261 -0.178 18612 529 1 1 . 1 1 126 126 ILE N N 126 124.925 124.925 125.539 -0.614 18612 530 1 1 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.176 -0.673 18612 531 1 1 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.086 0.874 18612 532 1 1 . 1 1 126 126 ILE CB C 126 39.805 39.805 37.187 2.618 18612 533 1 1 . 1 1 126 126 ILE H H 126 9.564 9.564 8.869 0.695 18612 534 1 1 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.503 0.140 18612 535 1 1 . 1 1 127 127 ILE CA C 127 59.440 59.440 59.958 -0.518 18612 536 1 1 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.684 2.318 18612 537 1 1 . 1 1 129 129 GLU N N 129 121.547 121.547 125.648 -4.101 18612 538 1 1 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.794 0.154 18612 539 1 1 . 1 1 129 129 GLU CA C 129 60.400 60.400 59.744 0.656 18612 540 1 1 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.298 1.004 18612 541 1 1 . 1 1 129 129 GLU H H 129 9.035 9.035 8.959 0.076 18612 542 1 1 . 1 1 130 130 GLN N N 130 120.221 120.221 118.254 1.967 18612 543 1 1 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.075 -0.198 18612 544 1 1 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.374 -0.954 18612 545 1 1 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.533 -0.133 18612 546 1 1 . 1 1 130 130 GLN H H 130 8.914 8.914 8.560 0.354 18612 547 1 1 . 1 1 131 131 GLU N N 131 120.680 120.680 120.540 0.140 18612 548 1 1 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.105 -0.166 18612 549 1 1 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.212 1.998 18612 550 1 1 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.573 -1.403 18612 551 1 1 . 1 1 131 131 GLU H H 131 8.871 8.871 7.859 1.012 18612 552 1 1 . 1 1 132 132 LEU N N 132 118.303 118.303 120.797 -2.494 18612 553 1 1 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.060 0.302 18612 554 1 1 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.322 -2.206 18612 555 1 1 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.956 -0.133 18612 556 1 1 . 1 1 132 132 LEU H H 132 8.152 8.152 8.752 -0.600 18612 557 1 1 . 1 1 133 133 LYS N N 133 120.924 120.924 118.477 2.447 18612 558 1 1 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.153 -0.072 18612 559 1 1 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.688 0.892 18612 560 1 1 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.695 -0.223 18612 561 1 1 . 1 1 133 133 LYS H H 133 7.631 7.631 7.704 -0.073 18612 562 1 1 . 1 1 134 134 ASP N N 134 118.256 118.256 116.866 1.390 18612 563 1 1 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.637 0.032 18612 564 1 1 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.401 -0.250 18612 565 1 1 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.838 -0.457 18612 566 1 1 . 1 1 134 134 ASP H H 134 7.985 7.985 7.929 0.056 18612 567 1 1 . 1 1 135 135 GLY N N 135 109.383 109.383 106.840 2.543 18612 568 1 1 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.153 1.410 18612 569 1 1 . 1 1 135 135 GLY H H 135 8.019 8.019 8.203 -0.184 18612 570 1 1 . 1 1 136 136 VAL N N 136 117.112 117.112 117.458 -0.346 18612 571 1 1 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.008 0.895 18612 572 1 1 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.170 -1.220 18612 573 1 1 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.129 2.756 18612 574 1 1 . 1 1 136 136 VAL H H 136 8.229 8.229 7.668 0.561 18612 575 1 1 . 1 1 137 137 ILE N N 137 121.971 121.971 121.373 0.598 18612 576 1 1 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.265 -0.091 18612 577 1 1 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.675 -2.115 18612 578 1 1 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.297 0.492 18612 579 1 1 . 1 1 137 137 ILE H H 137 8.975 8.975 8.142 0.833 18612 580 1 1 . 1 1 138 138 LYS N N 138 126.613 126.613 123.192 3.421 18612 581 1 1 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.112 -0.188 18612 582 1 1 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.383 1.332 18612 583 1 1 . 1 1 138 138 LYS CB C 138 33.217 33.217 36.597 -3.380 18612 584 1 1 . 1 1 138 138 LYS H H 138 7.726 7.726 8.193 -0.467 18612 585 1 1 . 1 1 139 139 LEU N N 139 129.177 129.177 125.335 3.842 18612 586 1 1 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.775 0.428 18612 587 1 1 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.213 0.077 18612 588 1 1 . 1 1 139 139 LEU CB C 139 44.760 44.760 43.533 1.227 18612 589 1 1 . 1 1 139 139 LEU H H 139 9.404 9.404 8.461 0.943 18612 590 1 1 . 1 1 140 140 ARG N N 140 128.243 128.243 125.998 2.245 18612 591 1 1 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.415 0.847 18612 592 1 1 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.851 -3.166 18612 593 1 1 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.486 -2.496 18612 594 1 1 . 1 1 140 140 ARG H H 140 9.540 9.540 8.512 1.028 18612 595 1 1 . 1 1 142 142 VAL N N 142 129.670 129.670 120.735 8.935 18612 596 1 1 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.872 -0.325 18612 597 1 1 . 1 1 142 142 VAL CA C 142 65.950 65.950 64.824 1.126 18612 598 1 1 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.036 1.652 18612 599 1 1 . 1 1 142 142 VAL H H 142 8.336 8.336 8.493 -0.157 18612 600 1 1 . 1 1 143 143 THR N N 143 111.061 111.061 114.616 -3.555 18612 601 1 1 . 1 1 143 143 THR HA H 143 4.157 4.157 4.158 -0.001 18612 602 1 1 . 1 1 143 143 THR CA C 143 69.400 69.400 64.860 4.540 18612 603 1 1 . 1 1 143 143 THR CB C 143 70.020 70.020 68.916 1.104 18612 604 1 1 . 1 1 143 143 THR H H 143 8.248 8.248 7.785 0.463 18612 605 1 1 . 1 1 144 144 SER N N 144 115.158 115.158 115.010 0.148 18612 606 1 1 . 1 1 144 144 SER HA H 144 4.514 4.514 4.394 0.120 18612 607 1 1 . 1 1 144 144 SER CA C 144 58.370 58.370 60.803 -2.433 18612 608 1 1 . 1 1 144 144 SER CB C 144 64.500 64.500 63.755 0.745 18612 609 1 1 . 1 1 144 144 SER H H 144 7.812 7.812 8.031 -0.219 18612 610 1 1 . 1 1 145 145 ARG N N 145 116.527 116.527 118.996 -2.469 18612 611 1 1 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.533 -0.707 18612 612 1 1 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.165 2.135 18612 613 1 1 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.983 -3.783 18612 614 1 1 . 1 1 145 145 ARG H H 145 7.836 7.836 8.001 -0.165 18612 615 1 1 . 1 1 146 146 GLU N N 146 119.889 119.889 115.459 4.430 18612 616 1 1 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.326 -0.057 18612 617 1 1 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.344 -0.414 18612 618 1 1 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.148 -0.510 18612 619 1 1 . 1 1 146 146 GLU H H 146 7.675 7.675 8.495 -0.820 18612 620 1 1 . 1 1 147 147 GLU N N 147 124.286 124.286 119.323 4.963 18612 621 1 1 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.532 0.787 18612 622 1 1 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.382 -0.447 18612 623 1 1 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.700 1.040 18612 624 1 1 . 1 1 147 147 GLU H H 147 8.602 8.602 8.128 0.474 18612 625 1 1 . 1 1 148 148 VAL N N 148 120.587 120.587 122.218 -1.631 18612 626 1 1 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.420 0.114 18612 627 1 1 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.135 -0.475 18612 628 1 1 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.510 0.180 18612 629 1 1 . 1 1 148 148 VAL H H 148 8.536 8.536 7.739 0.797 18612 630 1 1 . 1 1 149 149 ASP N N 149 125.031 125.031 124.891 0.140 18612 631 1 1 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.130 0.024 18612 632 1 1 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.508 0.405 18612 633 1 1 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.719 -0.938 18612 634 1 1 . 1 1 149 149 ASP H H 149 8.411 8.411 8.405 0.006 18612 635 1 1 . 1 1 150 150 VAL N N 150 123.264 123.264 119.553 3.711 18612 636 1 1 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.670 -0.270 18612 637 1 1 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.078 0.562 18612 638 1 1 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.169 -1.144 18612 639 1 1 . 1 1 150 150 VAL H H 150 9.061 9.061 8.599 0.462 18612 640 1 1 . 1 1 151 151 ARG N N 151 125.112 125.112 123.639 1.473 18612 641 1 1 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.510 -0.102 18612 642 1 1 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.685 2.425 18612 643 1 1 . 1 1 151 151 ARG CB C 151 29.890 29.890 29.500 0.390 18612 644 1 1 . 1 1 151 151 ARG H H 151 9.048 9.048 8.838 0.210 18612 645 1 1 . 1 1 152 152 ARG N N 152 124.828 124.828 120.603 4.225 18612 646 1 1 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.817 -0.151 18612 647 1 1 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.446 0.584 18612 648 1 1 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.334 1.675 18612 649 1 1 . 1 1 152 152 ARG H H 152 8.582 8.582 8.295 0.287 18612 650 1 1 . 1 1 153 153 GLU N N 153 116.730 116.730 118.561 -1.831 18612 651 1 1 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.070 0.130 18612 652 1 1 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.296 -0.326 18612 653 1 1 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.163 -0.583 18612 654 1 1 . 1 1 153 153 GLU H H 153 9.924 9.924 8.606 1.318 18612 655 1 1 . 1 1 154 154 ASP N N 154 119.318 119.318 119.488 -0.170 18612 656 1 1 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.533 0.485 18612 657 1 1 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.660 -2.268 18612 658 1 1 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.258 2.032 18612 659 1 1 . 1 1 154 154 ASP H H 154 7.758 7.758 8.704 -0.946 18612 660 1 1 . 1 1 155 155 LEU N N 155 121.863 121.863 121.852 0.011 18612 661 1 1 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.090 -0.275 18612 662 1 1 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.091 1.079 18612 663 1 1 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.455 1.173 18612 664 1 1 . 1 1 155 155 LEU H H 155 7.315 7.315 7.922 -0.607 18612 665 1 1 . 1 1 156 156 VAL N N 156 118.555 118.555 118.022 0.533 18612 666 1 1 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.567 -0.312 18612 667 1 1 . 1 1 156 156 VAL CA C 156 67.660 67.660 67.040 0.620 18612 668 1 1 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.657 -0.427 18612 669 1 1 . 1 1 156 156 VAL H H 156 8.490 8.490 7.744 0.746 18612 670 1 1 . 1 1 157 157 GLU N N 157 118.568 118.568 120.553 -1.985 18612 671 1 1 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.999 -0.089 18612 672 1 1 . 1 1 157 157 GLU CA C 157 59.420 59.420 60.255 -0.835 18612 673 1 1 . 1 1 157 157 GLU H H 157 8.138 8.138 7.899 0.239 18612 674 1 1 . 1 1 158 158 GLU N N 158 118.484 118.484 119.804 -1.320 18612 675 1 1 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.012 0.128 18612 676 1 1 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.979 -2.689 18612 677 1 1 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.408 0.066 18612 678 1 1 . 1 1 158 158 GLU H H 158 8.138 8.138 8.331 -0.193 18612 679 1 1 . 1 1 159 159 ILE N N 159 119.508 119.508 117.024 2.484 18612 680 1 1 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.646 -0.218 18612 681 1 1 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.367 0.523 18612 682 1 1 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.520 -7.520 18612 683 1 1 . 1 1 159 159 ILE H H 159 8.482 8.482 7.749 0.733 18612 684 1 1 . 1 1 160 160 LYS N N 160 121.513 121.513 120.214 1.299 18612 685 1 1 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.015 -0.237 18612 686 1 1 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.544 1.306 18612 687 1 1 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.153 0.097 18612 688 1 1 . 1 1 160 160 LYS H H 160 8.424 8.424 7.822 0.602 18612 689 1 1 . 1 1 161 161 ARG N N 161 118.966 118.966 120.095 -1.129 18612 690 1 1 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.013 0.056 18612 691 1 1 . 1 1 161 161 ARG CA C 161 59.330 59.330 59.392 -0.062 18612 692 1 1 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.256 0.636 18612 693 1 1 . 1 1 161 161 ARG H H 161 8.248 8.248 8.382 -0.134 18612 694 1 1 . 1 1 162 162 ARG N N 162 117.033 117.033 116.932 0.101 18612 695 1 1 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.150 0.092 18612 696 1 1 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.663 -0.605 18612 697 1 1 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.221 1.569 18612 698 1 1 . 1 1 162 162 ARG H H 162 7.811 7.811 8.256 -0.445 18612 699 1 1 . 1 1 163 163 THR N N 163 108.588 108.588 111.963 -3.375 18612 700 1 1 . 1 1 163 163 THR HA H 163 4.549 4.549 4.271 0.278 18612 701 1 1 . 1 1 163 163 THR CA C 163 61.820 61.820 64.144 -2.324 18612 702 1 1 . 1 1 163 163 THR CB C 163 70.020 70.020 69.549 0.471 18612 703 1 1 . 1 1 163 163 THR H H 163 7.831 7.831 7.725 0.106 18612 704 1 1 . 1 1 164 164 GLY N N 164 110.640 110.640 109.891 0.749 18612 705 1 1 . 1 1 164 164 GLY CA C 164 45.713 45.713 43.763 1.950 18612 706 1 1 . 1 1 164 164 GLY H H 164 7.847 7.847 7.946 -0.099 18612 707 1 1 . 1 1 165 165 GLN N N 165 120.993 120.993 118.261 2.732 18612 708 1 1 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.724 -0.782 18612 709 1 1 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.101 2.976 18612 710 1 1 . 1 1 165 165 GLN CB C 165 29.569 29.569 31.016 -1.447 18612 711 1 1 . 1 1 165 165 GLN H H 165 8.141 8.141 8.364 -0.223 18612 712 1 1 . 1 1 167 167 LEU N N 167 122.540 122.540 120.498 2.042 18612 713 1 1 . 1 1 167 167 LEU H H 167 8.370 8.370 8.270 0.100 18612 714 1 1 . 1 1 168 168 SER N N 168 116.635 116.635 117.692 -1.057 18612 715 1 1 . 1 1 168 168 SER H H 168 8.269 8.269 8.306 -0.037 18612 716 1 1 . 1 1 169 169 ILE N N 169 122.767 122.767 120.751 2.016 18612 717 1 1 . 1 1 169 169 ILE H H 169 8.165 8.165 7.688 0.477 18612 718 1 2 . 1 1 2 2 GLU N N 2 120.329 120.329 120.488 -0.159 18612 719 1 2 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.256 -0.114 18612 720 1 2 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.302 0.768 18612 721 1 2 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.099 -0.598 18612 722 1 2 . 1 1 2 2 GLU H H 2 8.498 8.498 8.683 -0.185 18612 723 1 2 . 1 1 3 3 ARG N N 3 121.547 121.547 120.243 1.304 18612 724 1 2 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.167 -0.143 18612 725 1 2 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.730 0.511 18612 726 1 2 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.868 0.082 18612 727 1 2 . 1 1 3 3 ARG H H 3 8.238 8.238 8.494 -0.256 18612 728 1 2 . 1 1 4 4 ALA N N 4 121.449 121.449 119.799 1.650 18612 729 1 2 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.131 0.072 18612 730 1 2 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.848 0.191 18612 731 1 2 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.055 -0.145 18612 732 1 2 . 1 1 4 4 ALA H H 4 8.068 8.068 8.446 -0.378 18612 733 1 2 . 1 1 5 5 ALA N N 5 121.000 121.000 121.569 -0.569 18612 734 1 2 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.071 0.147 18612 735 1 2 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.830 -0.087 18612 736 1 2 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.406 0.004 18612 737 1 2 . 1 1 5 5 ALA H H 5 7.831 7.831 7.497 0.334 18612 738 1 2 . 1 1 6 6 LEU N N 6 121.402 121.402 118.579 2.823 18612 739 1 2 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.992 0.169 18612 740 1 2 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.140 -0.190 18612 741 1 2 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.462 0.579 18612 742 1 2 . 1 1 6 6 LEU H H 6 7.919 7.919 8.043 -0.124 18612 743 1 2 . 1 1 7 7 GLU N N 7 119.203 119.203 119.974 -0.771 18612 744 1 2 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.886 -0.028 18612 745 1 2 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.211 0.019 18612 746 1 2 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.492 0.048 18612 747 1 2 . 1 1 7 7 GLU H H 7 8.706 8.706 8.138 0.568 18612 748 1 2 . 1 1 8 8 GLU N N 8 120.194 120.194 119.788 0.406 18612 749 1 2 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.126 0.069 18612 750 1 2 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.547 0.623 18612 751 1 2 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.134 0.326 18612 752 1 2 . 1 1 8 8 GLU H H 8 7.761 7.761 7.752 0.009 18612 753 1 2 . 1 1 9 9 LEU N N 9 120.526 120.526 119.887 0.639 18612 754 1 2 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.046 0.118 18612 755 1 2 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.519 -0.399 18612 756 1 2 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.833 -0.045 18612 757 1 2 . 1 1 9 9 LEU H H 9 7.913 7.913 7.778 0.135 18612 758 1 2 . 1 1 10 10 VAL N N 10 120.804 120.804 119.422 1.382 18612 759 1 2 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.489 -0.032 18612 760 1 2 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.053 0.977 18612 761 1 2 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.707 1.340 18612 762 1 2 . 1 1 10 10 VAL H H 10 8.570 8.570 8.077 0.493 18612 763 1 2 . 1 1 11 11 LYS N N 11 123.175 123.175 119.442 3.733 18612 764 1 2 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.951 0.093 18612 765 1 2 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.970 -0.100 18612 766 1 2 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.314 0.078 18612 767 1 2 . 1 1 11 11 LYS H H 11 7.909 7.909 7.628 0.281 18612 768 1 2 . 1 1 12 12 LEU N N 12 120.772 120.772 115.343 5.429 18612 769 1 2 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.119 -0.013 18612 770 1 2 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.901 0.019 18612 771 1 2 . 1 1 12 12 LEU CB C 12 41.837 41.837 40.838 0.999 18612 772 1 2 . 1 1 12 12 LEU H H 12 8.436 8.436 7.766 0.670 18612 773 1 2 . 1 1 13 13 GLN N N 13 121.677 121.677 120.683 0.994 18612 774 1 2 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.109 0.225 18612 775 1 2 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.611 -2.211 18612 776 1 2 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.276 -1.756 18612 777 1 2 . 1 1 13 13 GLN H H 13 8.710 8.710 7.408 1.302 18612 778 1 2 . 1 1 14 14 GLY N N 14 109.543 109.543 107.174 2.369 18612 779 1 2 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.819 0.744 18612 780 1 2 . 1 1 14 14 GLY H H 14 8.714 8.714 8.254 0.460 18612 781 1 2 . 1 1 15 15 GLU N N 15 123.144 123.144 121.855 1.289 18612 782 1 2 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.996 0.152 18612 783 1 2 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.938 -0.967 18612 784 1 2 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.336 0.124 18612 785 1 2 . 1 1 15 15 GLU H H 15 7.913 7.913 7.911 0.002 18612 786 1 2 . 1 1 16 16 ARG N N 16 123.135 123.135 119.868 3.267 18612 787 1 2 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.104 0.034 18612 788 1 2 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.142 -0.172 18612 789 1 2 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.393 -0.993 18612 790 1 2 . 1 1 16 16 ARG H H 16 8.104 8.104 7.748 0.356 18612 791 1 2 . 1 1 17 17 VAL N N 17 119.501 119.501 119.508 -0.007 18612 792 1 2 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.656 -0.243 18612 793 1 2 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.153 1.297 18612 794 1 2 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.749 0.309 18612 795 1 2 . 1 1 17 17 VAL H H 17 8.192 8.192 7.977 0.215 18612 796 1 2 . 1 1 18 18 ARG N N 18 119.372 119.372 120.079 -0.707 18612 797 1 2 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.025 -0.091 18612 798 1 2 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.691 0.369 18612 799 1 2 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.783 0.489 18612 800 1 2 . 1 1 18 18 ARG H H 18 7.980 7.980 8.370 -0.390 18612 801 1 2 . 1 1 19 19 GLY N N 19 107.241 107.241 105.941 1.300 18612 802 1 2 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.559 0.803 18612 803 1 2 . 1 1 19 19 GLY H H 19 8.362 8.362 7.941 0.421 18612 804 1 2 . 1 1 20 20 LEU N N 20 122.627 122.627 123.326 -0.699 18612 805 1 2 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.154 -0.105 18612 806 1 2 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.875 0.015 18612 807 1 2 . 1 1 20 20 LEU CB C 20 42.420 42.420 42.007 0.413 18612 808 1 2 . 1 1 20 20 LEU H H 20 8.049 8.049 8.074 -0.025 18612 809 1 2 . 1 1 21 21 LYS N N 21 118.255 118.255 118.972 -0.717 18612 810 1 2 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.951 0.107 18612 811 1 2 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.558 0.452 18612 812 1 2 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.345 0.249 18612 813 1 2 . 1 1 21 21 LYS H H 21 8.123 8.123 8.389 -0.266 18612 814 1 2 . 1 1 22 22 GLN N N 22 121.183 121.183 117.734 3.449 18612 815 1 2 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.169 -0.082 18612 816 1 2 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.524 0.236 18612 817 1 2 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.966 -0.366 18612 818 1 2 . 1 1 22 22 GLN H H 22 8.234 8.234 7.758 0.476 18612 819 1 2 . 1 1 23 23 GLN N N 23 116.219 116.219 118.141 -1.922 18612 820 1 2 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.276 -0.013 18612 821 1 2 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.507 -1.829 18612 822 1 2 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.710 -0.440 18612 823 1 2 . 1 1 23 23 GLN H H 23 7.820 7.820 8.114 -0.294 18612 824 1 2 . 1 1 24 24 LYS N N 24 117.349 117.349 115.358 1.991 18612 825 1 2 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.518 -0.606 18612 826 1 2 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.551 1.478 18612 827 1 2 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.744 -4.894 18612 828 1 2 . 1 1 24 24 LYS H H 24 7.884 7.884 7.928 -0.044 18612 829 1 2 . 1 1 25 25 ALA N N 25 119.909 119.909 124.212 -4.303 18612 830 1 2 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.162 0.117 18612 831 1 2 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.779 -1.759 18612 832 1 2 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.054 3.266 18612 833 1 2 . 1 1 25 25 ALA H H 25 7.620 7.620 7.645 -0.025 18612 834 1 2 . 1 1 26 26 SER N N 26 113.188 113.188 113.169 0.019 18612 835 1 2 . 1 1 26 26 SER HA H 26 4.244 4.244 4.345 -0.101 18612 836 1 2 . 1 1 26 26 SER CA C 26 58.390 58.390 58.032 0.358 18612 837 1 2 . 1 1 26 26 SER CB C 26 63.830 63.830 62.477 1.353 18612 838 1 2 . 1 1 26 26 SER H H 26 8.228 8.228 8.398 -0.170 18612 839 1 2 . 1 1 27 27 ALA N N 27 127.550 127.550 125.867 1.683 18612 840 1 2 . 1 1 27 27 ALA HA H 27 3.984 3.984 4.029 -0.045 18612 841 1 2 . 1 1 27 27 ALA CA C 27 55.582 55.582 55.280 0.302 18612 842 1 2 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.751 0.019 18612 843 1 2 . 1 1 27 27 ALA H H 27 8.769 8.769 8.535 0.234 18612 844 1 2 . 1 1 28 28 GLU N N 28 117.317 117.317 118.668 -1.351 18612 845 1 2 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.083 -0.009 18612 846 1 2 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.197 0.503 18612 847 1 2 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.150 -0.070 18612 848 1 2 . 1 1 28 28 GLU H H 28 8.830 8.830 8.611 0.219 18612 849 1 2 . 1 1 29 29 LEU N N 29 122.971 122.971 120.176 2.795 18612 850 1 2 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.109 0.202 18612 851 1 2 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.813 -0.243 18612 852 1 2 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.790 -0.185 18612 853 1 2 . 1 1 29 29 LEU H H 29 7.401 7.401 7.688 -0.287 18612 854 1 2 . 1 1 30 30 ILE N N 30 118.784 118.784 120.756 -1.972 18612 855 1 2 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.583 -0.186 18612 856 1 2 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.788 0.522 18612 857 1 2 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.617 0.206 18612 858 1 2 . 1 1 30 30 ILE H H 30 8.019 8.019 8.831 -0.812 18612 859 1 2 . 1 1 31 31 GLU N N 31 118.215 118.215 119.043 -0.828 18612 860 1 2 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.956 0.012 18612 861 1 2 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.901 -0.061 18612 862 1 2 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.311 0.129 18612 863 1 2 . 1 1 31 31 GLU H H 31 8.367 8.367 8.378 -0.011 18612 864 1 2 . 1 1 32 32 GLU N N 32 120.284 120.284 119.913 0.371 18612 865 1 2 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.019 0.135 18612 866 1 2 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.751 -0.371 18612 867 1 2 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.658 0.182 18612 868 1 2 . 1 1 32 32 GLU H H 32 7.667 7.667 7.766 -0.099 18612 869 1 2 . 1 1 33 33 GLU N N 33 120.010 120.010 118.457 1.553 18612 870 1 2 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.096 0.122 18612 871 1 2 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.315 -0.935 18612 872 1 2 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.736 -1.556 18612 873 1 2 . 1 1 33 33 GLU H H 33 8.156 8.156 8.161 -0.005 18612 874 1 2 . 1 1 34 34 VAL N N 34 125.322 125.322 120.971 4.351 18612 875 1 2 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.683 -0.041 18612 876 1 2 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.373 0.477 18612 877 1 2 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.204 0.636 18612 878 1 2 . 1 1 34 34 VAL H H 34 9.243 9.243 7.943 1.300 18612 879 1 2 . 1 1 35 35 ALA N N 35 123.214 123.214 121.400 1.814 18612 880 1 2 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.951 0.147 18612 881 1 2 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.468 0.274 18612 882 1 2 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.146 -0.896 18612 883 1 2 . 1 1 35 35 ALA H H 35 8.160 8.160 8.514 -0.354 18612 884 1 2 . 1 1 36 36 LYS N N 36 117.979 117.979 118.609 -0.630 18612 885 1 2 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.063 -0.068 18612 886 1 2 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.422 0.378 18612 887 1 2 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.465 0.397 18612 888 1 2 . 1 1 36 36 LYS H H 36 7.607 7.607 7.741 -0.134 18612 889 1 2 . 1 1 37 37 LEU N N 37 120.957 120.957 119.825 1.132 18612 890 1 2 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.219 -0.216 18612 891 1 2 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.161 0.349 18612 892 1 2 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.453 0.577 18612 893 1 2 . 1 1 37 37 LEU H H 37 7.762 7.762 7.778 -0.016 18612 894 1 2 . 1 1 38 38 LEU N N 38 118.910 118.910 120.892 -1.982 18612 895 1 2 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.839 0.137 18612 896 1 2 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.212 0.058 18612 897 1 2 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.236 -0.278 18612 898 1 2 . 1 1 38 38 LEU H H 38 8.636 8.636 8.688 -0.052 18612 899 1 2 . 1 1 39 39 LYS N N 39 120.804 120.804 118.467 2.337 18612 900 1 2 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.053 0.027 18612 901 1 2 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.041 0.410 18612 902 1 2 . 1 1 39 39 LYS CB C 39 32.658 32.658 31.649 1.009 18612 903 1 2 . 1 1 39 39 LYS H H 39 7.864 7.864 7.773 0.091 18612 904 1 2 . 1 1 40 40 LEU N N 40 120.940 120.940 121.195 -0.255 18612 905 1 2 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.933 0.177 18612 906 1 2 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.154 -0.214 18612 907 1 2 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.558 1.528 18612 908 1 2 . 1 1 40 40 LEU H H 40 7.831 7.831 7.776 0.055 18612 909 1 2 . 1 1 41 41 LYS N N 41 117.563 117.563 118.577 -1.014 18612 910 1 2 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.890 -0.040 18612 911 1 2 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.667 0.413 18612 912 1 2 . 1 1 41 41 LYS CB C 41 32.503 32.503 32.261 0.242 18612 913 1 2 . 1 1 41 41 LYS H H 41 8.493 8.493 8.026 0.467 18612 914 1 2 . 1 1 42 42 ALA N N 42 121.396 121.396 119.857 1.539 18612 915 1 2 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.070 0.119 18612 916 1 2 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.459 -0.179 18612 917 1 2 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.592 -0.692 18612 918 1 2 . 1 1 42 42 ALA H H 42 7.918 7.918 7.598 0.320 18612 919 1 2 . 1 1 43 43 GLN N N 43 116.883 116.883 118.062 -1.179 18612 920 1 2 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.139 -0.003 18612 921 1 2 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.346 -0.937 18612 922 1 2 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.290 0.290 18612 923 1 2 . 1 1 43 43 GLN H H 43 7.591 7.591 7.537 0.054 18612 924 1 2 . 1 1 44 44 LEU N N 44 119.828 119.828 119.280 0.548 18612 925 1 2 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.068 0.140 18612 926 1 2 . 1 1 44 44 LEU CA C 44 56.077 56.077 55.287 0.790 18612 927 1 2 . 1 1 44 44 LEU CB C 44 42.427 42.427 39.647 2.780 18612 928 1 2 . 1 1 44 44 LEU H H 44 7.574 7.574 7.686 -0.112 18612 929 1 2 . 1 1 45 45 GLY N N 45 106.906 106.906 109.788 -2.882 18612 930 1 2 . 1 1 45 45 GLY CA C 45 44.524 44.524 45.355 -0.831 18612 931 1 2 . 1 1 45 45 GLY H H 45 7.687 7.687 8.295 -0.608 18612 932 1 2 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.595 -0.148 18612 933 1 2 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.605 0.505 18612 934 1 2 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.288 0.142 18612 935 1 2 . 1 1 47 47 ASP N N 47 121.060 121.060 120.428 0.632 18612 936 1 2 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.818 -0.240 18612 937 1 2 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.391 1.091 18612 938 1 2 . 1 1 47 47 ASP CB C 47 41.003 41.003 44.078 -3.075 18612 939 1 2 . 1 1 47 47 ASP H H 47 8.446 8.446 8.442 0.004 18612 940 1 2 . 1 1 48 48 GLU N N 48 123.347 123.347 122.993 0.354 18612 941 1 2 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.548 -0.304 18612 942 1 2 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.200 -0.270 18612 943 1 2 . 1 1 48 48 GLU CB C 48 30.547 30.547 31.070 -0.523 18612 944 1 2 . 1 1 48 48 GLU H H 48 8.577 8.577 8.744 -0.167 18612 945 1 2 . 1 1 49 49 SER N N 49 116.751 116.751 114.875 1.876 18612 946 1 2 . 1 1 49 49 SER HA H 49 4.349 4.349 4.409 -0.060 18612 947 1 2 . 1 1 49 49 SER CA C 49 59.380 59.380 59.642 -0.262 18612 948 1 2 . 1 1 49 49 SER CB C 49 63.460 63.460 63.588 -0.128 18612 949 1 2 . 1 1 49 49 SER H H 49 8.399 8.399 8.322 0.077 18612 950 1 2 . 1 1 50 50 LYS N N 50 121.935 121.935 121.450 0.485 18612 951 1 2 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.146 0.295 18612 952 1 2 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.695 -0.175 18612 953 1 2 . 1 1 50 50 LYS CB C 50 30.455 30.455 33.223 -2.768 18612 954 1 2 . 1 1 50 50 LYS H H 50 8.058 8.058 7.560 0.498 18612 955 1 2 . 1 1 51 51 GLN N N 51 122.155 122.155 121.639 0.516 18612 956 1 2 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.278 -0.075 18612 957 1 2 . 1 1 51 51 GLN CA C 51 57.209 57.209 57.118 0.091 18612 958 1 2 . 1 1 51 51 GLN CB C 51 30.788 30.788 28.336 2.452 18612 959 1 2 . 1 1 51 51 GLN H H 51 8.273 8.273 8.686 -0.413 18612 960 1 2 . 1 1 52 52 LYS N N 52 122.761 122.761 122.936 -0.175 18612 961 1 2 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.375 -0.060 18612 962 1 2 . 1 1 52 52 LYS CA C 52 56.480 56.480 56.598 -0.118 18612 963 1 2 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.789 0.133 18612 964 1 2 . 1 1 52 52 LYS H H 52 8.251 8.251 8.392 -0.141 18612 965 1 2 . 1 1 53 53 PHE N N 53 121.326 121.326 121.784 -0.458 18612 966 1 2 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.703 -0.059 18612 967 1 2 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.343 0.297 18612 968 1 2 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.592 -0.004 18612 969 1 2 . 1 1 53 53 PHE H H 53 8.153 8.153 8.394 -0.241 18612 970 1 2 . 1 1 54 54 VAL N N 54 122.941 122.941 121.711 1.230 18612 971 1 2 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.396 -0.353 18612 972 1 2 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.802 0.178 18612 973 1 2 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.968 0.213 18612 974 1 2 . 1 1 54 54 VAL H H 54 7.960 7.960 7.623 0.337 18612 975 1 2 . 1 1 55 55 LEU N N 55 126.751 126.751 126.294 0.457 18612 976 1 2 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.467 -0.154 18612 977 1 2 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.182 -0.122 18612 978 1 2 . 1 1 55 55 LEU CB C 55 42.315 42.315 43.282 -0.967 18612 979 1 2 . 1 1 55 55 LEU H H 55 8.226 8.226 8.283 -0.057 18612 980 1 2 . 1 1 56 56 LYS N N 56 123.614 123.614 122.105 1.509 18612 981 1 2 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.260 0.112 18612 982 1 2 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.849 -0.938 18612 983 1 2 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.457 0.734 18612 984 1 2 . 1 1 56 56 LYS H H 56 8.320 8.320 8.041 0.279 18612 985 1 2 . 1 1 57 57 THR N N 57 115.794 115.794 119.098 -3.304 18612 986 1 2 . 1 1 57 57 THR HA H 57 4.349 4.349 4.716 -0.367 18612 987 1 2 . 1 1 57 57 THR CA C 57 58.960 58.960 59.550 -0.590 18612 988 1 2 . 1 1 57 57 THR CB C 57 70.740 70.740 69.299 1.441 18612 989 1 2 . 1 1 57 57 THR H H 57 7.892 7.892 8.096 -0.204 18612 990 1 2 . 1 1 59 59 LYS N N 59 121.755 121.755 122.502 -0.747 18612 991 1 2 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.169 0.058 18612 992 1 2 . 1 1 59 59 LYS CA C 59 56.520 56.520 57.355 -0.835 18612 993 1 2 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.625 0.469 18612 994 1 2 . 1 1 59 59 LYS H H 59 8.300 8.300 8.314 -0.014 18612 995 1 2 . 1 1 60 60 ALA N N 60 125.263 125.263 126.706 -1.443 18612 996 1 2 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.474 -0.197 18612 997 1 2 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.441 0.423 18612 998 1 2 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.322 -0.342 18612 999 1 2 . 1 1 60 60 ALA H H 60 8.290 8.290 8.450 -0.160 18612 1000 1 2 . 1 1 61 61 LEU N N 61 121.255 121.255 121.140 0.115 18612 1001 1 2 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.366 -0.086 18612 1002 1 2 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.427 0.158 18612 1003 1 2 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.342 0.903 18612 1004 1 2 . 1 1 61 61 LEU H H 61 8.144 8.144 8.007 0.137 18612 1005 1 2 . 1 1 62 62 GLU N N 62 121.401 121.401 124.384 -2.983 18612 1006 1 2 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.372 -0.096 18612 1007 1 2 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.767 0.163 18612 1008 1 2 . 1 1 62 62 GLU CB C 62 30.235 30.235 31.116 -0.881 18612 1009 1 2 . 1 1 62 62 GLU H H 62 8.266 8.266 8.733 -0.467 18612 1010 1 2 . 1 1 64 64 LYS N N 64 120.575 120.575 123.252 -2.677 18612 1011 1 2 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.559 -0.315 18612 1012 1 2 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.212 -0.127 18612 1013 1 2 . 1 1 64 64 LYS CB C 64 29.470 29.470 34.239 -4.769 18612 1014 1 2 . 1 1 64 64 LYS H H 64 8.106 8.106 8.304 -0.198 18612 1015 1 2 . 1 1 65 65 ILE N N 65 122.492 122.492 120.413 2.079 18612 1016 1 2 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.284 -0.144 18612 1017 1 2 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.604 -0.424 18612 1018 1 2 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.452 -0.902 18612 1019 1 2 . 1 1 65 65 ILE H H 65 8.135 8.135 7.998 0.137 18612 1020 1 2 . 1 1 66 66 ARG N N 66 125.714 125.714 125.247 0.467 18612 1021 1 2 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.545 -0.077 18612 1022 1 2 . 1 1 66 66 ARG CA C 66 56.067 56.067 57.316 -1.249 18612 1023 1 2 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.361 0.665 18612 1024 1 2 . 1 1 66 66 ARG H H 66 8.402 8.402 8.846 -0.444 18612 1025 1 2 . 1 1 67 67 THR N N 67 115.622 115.622 114.775 0.847 18612 1026 1 2 . 1 1 67 67 THR HA H 67 4.445 4.445 4.189 0.256 18612 1027 1 2 . 1 1 67 67 THR CA C 67 61.650 61.650 63.461 -1.811 18612 1028 1 2 . 1 1 67 67 THR CB C 67 69.620 69.620 68.680 0.940 18612 1029 1 2 . 1 1 67 67 THR H H 67 8.281 8.281 8.376 -0.095 18612 1030 1 2 . 1 1 68 68 THR N N 68 116.774 116.774 113.097 3.677 18612 1031 1 2 . 1 1 68 68 THR HA H 68 4.503 4.503 4.331 0.172 18612 1032 1 2 . 1 1 68 68 THR CA C 68 61.050 61.050 62.610 -1.560 18612 1033 1 2 . 1 1 68 68 THR CB C 68 69.210 69.210 68.912 0.298 18612 1034 1 2 . 1 1 68 68 THR H H 68 8.076 8.076 7.727 0.349 18612 1035 1 2 . 1 1 69 69 GLU N N 69 124.048 124.048 121.684 2.364 18612 1036 1 2 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.382 -0.006 18612 1037 1 2 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.175 0.225 18612 1038 1 2 . 1 1 69 69 GLU CB C 69 30.618 30.618 28.914 1.704 18612 1039 1 2 . 1 1 69 69 GLU H H 69 8.515 8.515 8.288 0.227 18612 1040 1 2 . 1 1 70 70 THR N N 70 118.988 118.988 115.529 3.459 18612 1041 1 2 . 1 1 70 70 THR HA H 70 3.741 3.741 4.360 -0.619 18612 1042 1 2 . 1 1 70 70 THR CA C 70 64.680 64.680 62.826 1.854 18612 1043 1 2 . 1 1 70 70 THR CB C 70 68.770 68.770 69.201 -0.431 18612 1044 1 2 . 1 1 70 70 THR H H 70 8.259 8.259 7.791 0.468 18612 1045 1 2 . 1 1 71 71 GLN N N 71 125.858 125.858 127.194 -1.336 18612 1046 1 2 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.409 -0.115 18612 1047 1 2 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.122 1.278 18612 1048 1 2 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.161 1.910 18612 1049 1 2 . 1 1 71 71 GLN H H 71 8.795 8.795 8.662 0.133 18612 1050 1 2 . 1 1 72 72 VAL N N 72 113.505 113.505 111.344 2.161 18612 1051 1 2 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.854 0.044 18612 1052 1 2 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.819 -0.199 18612 1053 1 2 . 1 1 72 72 VAL CB C 72 35.404 35.404 34.941 0.464 18612 1054 1 2 . 1 1 72 72 VAL H H 72 7.325 7.325 7.298 0.027 18612 1055 1 2 . 1 1 73 73 LEU N N 73 128.725 128.725 120.776 7.949 18612 1056 1 2 . 1 1 73 73 LEU HA H 73 5.092 5.092 5.248 -0.156 18612 1057 1 2 . 1 1 73 73 LEU CA C 73 52.740 52.740 52.886 -0.146 18612 1058 1 2 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.282 -1.202 18612 1059 1 2 . 1 1 73 73 LEU H H 73 8.170 8.170 7.505 0.665 18612 1060 1 2 . 1 1 74 74 VAL N N 74 127.634 127.634 119.128 8.506 18612 1061 1 2 . 1 1 74 74 VAL HA H 74 4.766 4.766 5.037 -0.271 18612 1062 1 2 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.290 1.800 18612 1063 1 2 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.458 -1.768 18612 1064 1 2 . 1 1 74 74 VAL H H 74 8.913 8.913 7.892 1.021 18612 1065 1 2 . 1 1 75 75 ALA N N 75 132.602 132.602 129.798 2.804 18612 1066 1 2 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.596 0.211 18612 1067 1 2 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.597 0.303 18612 1068 1 2 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.589 2.331 18612 1069 1 2 . 1 1 75 75 ALA H H 75 9.421 9.421 8.996 0.425 18612 1070 1 2 . 1 1 76 76 SER N N 76 111.274 111.274 119.513 -8.239 18612 1071 1 2 . 1 1 76 76 SER HA H 76 4.951 4.951 4.937 0.014 18612 1072 1 2 . 1 1 76 76 SER CA C 76 56.940 56.940 56.504 0.436 18612 1073 1 2 . 1 1 76 76 SER CB C 76 65.960 65.960 64.767 1.192 18612 1074 1 2 . 1 1 76 76 SER H H 76 8.106 8.106 8.052 0.054 18612 1075 1 2 . 1 1 77 77 ALA N N 77 125.393 125.393 128.504 -3.111 18612 1076 1 2 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.649 -0.188 18612 1077 1 2 . 1 1 77 77 ALA CA C 77 52.754 52.754 50.540 2.214 18612 1078 1 2 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.850 -1.110 18612 1079 1 2 . 1 1 77 77 ALA H H 77 9.004 9.004 7.808 1.196 18612 1080 1 2 . 1 1 78 78 GLN N N 78 116.290 116.290 116.445 -0.155 18612 1081 1 2 . 1 1 78 78 GLN HA H 78 4.443 4.443 3.915 0.528 18612 1082 1 2 . 1 1 78 78 GLN CA C 78 56.630 56.630 58.387 -1.757 18612 1083 1 2 . 1 1 78 78 GLN CB C 78 30.553 30.553 28.539 2.014 18612 1084 1 2 . 1 1 78 78 GLN H H 78 7.985 7.985 8.741 -0.756 18612 1085 1 2 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.615 -0.052 18612 1086 1 2 . 1 1 81 81 LEU CA C 81 47.000 47.000 53.904 -6.904 18612 1087 1 2 . 1 1 81 81 LEU CB C 81 41.021 41.021 44.167 -3.146 18612 1088 1 2 . 1 1 82 82 LEU HA H 82 4.798 4.798 3.913 0.885 18612 1089 1 2 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.007 -0.101 18612 1090 1 2 . 1 1 85 85 ARG N N 85 119.948 119.948 119.773 0.175 18612 1091 1 2 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.117 -0.246 18612 1092 1 2 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.010 1.670 18612 1093 1 2 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.875 2.046 18612 1094 1 2 . 1 1 85 85 ARG H H 85 8.229 8.229 7.802 0.427 18612 1095 1 2 . 1 1 86 86 LEU N N 86 120.227 120.227 120.440 -0.213 18612 1096 1 2 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.966 -0.140 18612 1097 1 2 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.758 -0.568 18612 1098 1 2 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.474 0.114 18612 1099 1 2 . 1 1 86 86 LEU H H 86 8.459 8.459 8.082 0.377 18612 1100 1 2 . 1 1 87 87 LYS N N 87 120.470 120.470 119.962 0.508 18612 1101 1 2 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.041 -0.020 18612 1102 1 2 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.564 -0.184 18612 1103 1 2 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.314 0.584 18612 1104 1 2 . 1 1 87 87 LYS H H 87 7.945 7.945 8.006 -0.061 18612 1105 1 2 . 1 1 88 88 LEU N N 88 119.799 119.799 120.776 -0.977 18612 1106 1 2 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.067 0.140 18612 1107 1 2 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.100 -0.420 18612 1108 1 2 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.066 -0.841 18612 1109 1 2 . 1 1 88 88 LEU H H 88 7.547 7.547 7.840 -0.293 18612 1110 1 2 . 1 1 89 89 VAL N N 89 118.828 118.828 118.620 0.208 18612 1111 1 2 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.572 -0.254 18612 1112 1 2 . 1 1 89 89 VAL CA C 89 67.750 67.750 67.631 0.119 18612 1113 1 2 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.301 0.077 18612 1114 1 2 . 1 1 89 89 VAL H H 89 8.347 8.347 8.757 -0.410 18612 1115 1 2 . 1 1 90 90 SER N N 90 114.835 114.835 116.539 -1.704 18612 1116 1 2 . 1 1 90 90 SER HA H 90 4.207 4.207 4.189 0.018 18612 1117 1 2 . 1 1 90 90 SER CA C 90 62.000 62.000 61.895 0.105 18612 1118 1 2 . 1 1 90 90 SER CB C 90 62.770 62.770 62.612 0.158 18612 1119 1 2 . 1 1 90 90 SER H H 90 7.942 7.942 8.446 -0.504 18612 1120 1 2 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.063 -0.020 18612 1121 1 2 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.415 0.025 18612 1122 1 2 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.596 0.638 18612 1123 1 2 . 1 1 92 92 LEU N N 92 119.720 119.720 119.940 -0.220 18612 1124 1 2 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.981 -0.033 18612 1125 1 2 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.048 0.072 18612 1126 1 2 . 1 1 92 92 LEU CB C 92 40.576 40.576 42.099 -1.523 18612 1127 1 2 . 1 1 92 92 LEU H H 92 8.379 8.379 7.893 0.486 18612 1128 1 2 . 1 1 93 93 GLN N N 93 120.938 120.938 119.130 1.808 18612 1129 1 2 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.395 0.158 18612 1130 1 2 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.897 0.153 18612 1131 1 2 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.570 -0.590 18612 1132 1 2 . 1 1 93 93 GLN H H 93 8.751 8.751 8.481 0.270 18612 1133 1 2 . 1 1 94 94 ASP N N 94 122.442 122.442 119.833 2.609 18612 1134 1 2 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.475 -0.016 18612 1135 1 2 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.610 0.490 18612 1136 1 2 . 1 1 94 94 ASP CB C 94 40.261 40.261 40.695 -0.434 18612 1137 1 2 . 1 1 94 94 ASP H H 94 8.470 8.470 8.487 -0.017 18612 1138 1 2 . 1 1 95 95 ALA N N 95 120.437 120.437 120.532 -0.095 18612 1139 1 2 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.397 0.115 18612 1140 1 2 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.440 -1.695 18612 1141 1 2 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.832 0.188 18612 1142 1 2 . 1 1 95 95 ALA H H 95 7.340 7.340 7.877 -0.537 18612 1143 1 2 . 1 1 96 96 GLY N N 96 106.865 106.865 106.507 0.358 18612 1144 1 2 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.579 0.711 18612 1145 1 2 . 1 1 96 96 GLY H H 96 7.987 7.987 7.637 0.350 18612 1146 1 2 . 1 1 97 97 ILE N N 97 122.489 122.489 118.495 3.994 18612 1147 1 2 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.309 -0.055 18612 1148 1 2 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.490 0.160 18612 1149 1 2 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.525 -0.552 18612 1150 1 2 . 1 1 97 97 ILE H H 97 8.062 8.062 7.514 0.548 18612 1151 1 2 . 1 1 98 98 LYS N N 98 127.459 127.459 124.496 2.963 18612 1152 1 2 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.279 0.228 18612 1153 1 2 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.288 0.633 18612 1154 1 2 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.180 -0.746 18612 1155 1 2 . 1 1 98 98 LYS H H 98 8.574 8.574 8.809 -0.235 18612 1156 1 2 . 1 1 99 99 ALA N N 99 130.423 130.423 129.973 0.450 18612 1157 1 2 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.618 1.146 18612 1158 1 2 . 1 1 99 99 ALA CA C 99 49.211 49.211 51.654 -2.443 18612 1159 1 2 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.921 4.949 18612 1160 1 2 . 1 1 99 99 ALA H H 99 7.813 7.813 8.410 -0.597 18612 1161 1 2 . 1 1 100 100 GLU N N 100 118.988 118.988 123.217 -4.229 18612 1162 1 2 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.910 -0.075 18612 1163 1 2 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.381 -0.675 18612 1164 1 2 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.063 2.858 18612 1165 1 2 . 1 1 100 100 GLU H H 100 8.226 8.226 8.239 -0.013 18612 1166 1 2 . 1 1 101 101 LEU N N 101 120.024 120.024 118.495 1.529 18612 1167 1 2 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.916 -0.202 18612 1168 1 2 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.632 0.128 18612 1169 1 2 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.720 0.364 18612 1170 1 2 . 1 1 101 101 LEU H H 101 8.478 8.478 8.495 -0.017 18612 1171 1 2 . 1 1 102 102 LEU N N 102 118.623 118.623 123.857 -5.234 18612 1172 1 2 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.034 0.000 18612 1173 1 2 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.100 4.360 18612 1174 1 2 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.164 -1.940 18612 1175 1 2 . 1 1 102 102 LEU H H 102 8.763 8.763 7.058 1.705 18612 1176 1 2 . 1 1 103 103 TYR N N 103 115.970 115.970 112.597 3.373 18612 1177 1 2 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.343 0.239 18612 1178 1 2 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.737 -1.764 18612 1179 1 2 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.066 3.666 18612 1180 1 2 . 1 1 103 103 TYR H H 103 7.378 7.378 7.683 -0.305 18612 1181 1 2 . 1 1 104 104 LYS N N 104 120.577 120.577 121.241 -0.664 18612 1182 1 2 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.055 0.084 18612 1183 1 2 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.879 -1.399 18612 1184 1 2 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.761 1.161 18612 1185 1 2 . 1 1 104 104 LYS H H 104 7.906 7.906 8.042 -0.136 18612 1186 1 2 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.127 -0.098 18612 1187 1 2 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.172 -0.173 18612 1188 1 2 . 1 1 113 113 LEU N N 113 120.147 120.147 119.663 0.484 18612 1189 1 2 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.271 -0.288 18612 1190 1 2 . 1 1 113 113 LEU CA C 113 58.420 58.420 56.953 1.467 18612 1191 1 2 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.422 -0.829 18612 1192 1 2 . 1 1 113 113 LEU H H 113 8.365 8.365 7.872 0.493 18612 1193 1 2 . 1 1 114 114 GLN N N 114 119.995 119.995 119.676 0.319 18612 1194 1 2 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.067 -0.030 18612 1195 1 2 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.389 -0.419 18612 1196 1 2 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.908 -0.718 18612 1197 1 2 . 1 1 114 114 GLN H H 114 8.126 8.126 7.888 0.238 18612 1198 1 2 . 1 1 115 115 TYR N N 115 120.358 120.358 121.137 -0.779 18612 1199 1 2 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.346 -0.051 18612 1200 1 2 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.452 -0.422 18612 1201 1 2 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.592 -0.823 18612 1202 1 2 . 1 1 115 115 TYR H H 115 7.819 7.819 8.879 -1.060 18612 1203 1 2 . 1 1 116 116 CYS N N 116 116.264 116.264 118.469 -2.205 18612 1204 1 2 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.973 -0.157 18612 1205 1 2 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.960 2.270 18612 1206 1 2 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.304 0.016 18612 1207 1 2 . 1 1 116 116 CYS H H 116 7.710 7.710 8.001 -0.291 18612 1208 1 2 . 1 1 117 117 GLU N N 117 119.526 119.526 118.793 0.733 18612 1209 1 2 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.102 -0.254 18612 1210 1 2 . 1 1 117 117 GLU CA C 117 59.150 59.150 58.970 0.180 18612 1211 1 2 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.885 -0.185 18612 1212 1 2 . 1 1 117 117 GLU H H 117 7.912 7.912 7.674 0.238 18612 1213 1 2 . 1 1 118 118 GLU N N 118 119.875 119.875 118.521 1.354 18612 1214 1 2 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.191 -0.222 18612 1215 1 2 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.187 0.593 18612 1216 1 2 . 1 1 118 118 GLU CB C 118 29.810 29.810 30.002 -0.192 18612 1217 1 2 . 1 1 118 118 GLU H H 118 7.988 7.988 7.872 0.116 18612 1218 1 2 . 1 1 119 119 ALA N N 119 119.118 119.118 120.584 -1.466 18612 1219 1 2 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.147 0.019 18612 1220 1 2 . 1 1 119 119 ALA CA C 119 52.654 52.654 52.280 0.374 18612 1221 1 2 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.053 0.027 18612 1222 1 2 . 1 1 119 119 ALA H H 119 8.137 8.137 7.772 0.365 18612 1223 1 2 . 1 1 120 120 GLY N N 120 106.604 106.604 105.136 1.468 18612 1224 1 2 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.092 2.285 18612 1225 1 2 . 1 1 120 120 GLY H H 120 7.550 7.550 7.549 0.001 18612 1226 1 2 . 1 1 121 121 ILE N N 121 124.026 124.026 112.567 11.459 18612 1227 1 2 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.267 -0.256 18612 1228 1 2 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.202 0.848 18612 1229 1 2 . 1 1 121 121 ILE CB C 121 40.051 40.051 37.101 2.950 18612 1230 1 2 . 1 1 121 121 ILE H H 121 7.918 7.918 8.229 -0.311 18612 1231 1 2 . 1 1 123 123 LEU N N 123 119.541 119.541 116.480 3.061 18612 1232 1 2 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.768 0.735 18612 1233 1 2 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.176 0.510 18612 1234 1 2 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.099 0.958 18612 1235 1 2 . 1 1 123 123 LEU H H 123 6.973 6.973 7.885 -0.912 18612 1236 1 2 . 1 1 124 124 VAL N N 124 119.580 119.580 118.298 1.282 18612 1237 1 2 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.943 0.093 18612 1238 1 2 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.306 -0.726 18612 1239 1 2 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.617 -1.359 18612 1240 1 2 . 1 1 124 124 VAL H H 124 8.823 8.823 8.557 0.266 18612 1241 1 2 . 1 1 125 125 ALA N N 125 130.810 130.810 125.225 5.585 18612 1242 1 2 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.907 0.249 18612 1243 1 2 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.472 -2.277 18612 1244 1 2 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.549 -1.489 18612 1245 1 2 . 1 1 125 125 ALA H H 125 9.083 9.083 9.105 -0.022 18612 1246 1 2 . 1 1 126 126 ILE N N 126 124.925 124.925 124.133 0.792 18612 1247 1 2 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.183 -0.680 18612 1248 1 2 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.044 0.916 18612 1249 1 2 . 1 1 126 126 ILE CB C 126 39.805 39.805 40.703 -0.898 18612 1250 1 2 . 1 1 126 126 ILE H H 126 9.564 9.564 7.446 2.118 18612 1251 1 2 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.376 0.267 18612 1252 1 2 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.724 -1.284 18612 1253 1 2 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.163 1.839 18612 1254 1 2 . 1 1 129 129 GLU N N 129 121.547 121.547 114.861 6.686 18612 1255 1 2 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.356 -0.408 18612 1256 1 2 . 1 1 129 129 GLU CA C 129 60.400 60.400 56.910 3.490 18612 1257 1 2 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.022 1.280 18612 1258 1 2 . 1 1 129 129 GLU H H 129 9.035 9.035 7.968 1.067 18612 1259 1 2 . 1 1 130 130 GLN N N 130 120.221 120.221 119.786 0.435 18612 1260 1 2 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.071 -0.194 18612 1261 1 2 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.386 -0.966 18612 1262 1 2 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.650 -0.250 18612 1263 1 2 . 1 1 130 130 GLN H H 130 8.914 8.914 8.530 0.384 18612 1264 1 2 . 1 1 131 131 GLU N N 131 120.680 120.680 119.614 1.066 18612 1265 1 2 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.140 -0.201 18612 1266 1 2 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.515 1.695 18612 1267 1 2 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.987 -0.817 18612 1268 1 2 . 1 1 131 131 GLU H H 131 8.871 8.871 8.622 0.249 18612 1269 1 2 . 1 1 132 132 LEU N N 132 118.303 118.303 116.889 1.414 18612 1270 1 2 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.124 0.238 18612 1271 1 2 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.006 -1.890 18612 1272 1 2 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.211 0.612 18612 1273 1 2 . 1 1 132 132 LEU H H 132 8.152 8.152 8.368 -0.216 18612 1274 1 2 . 1 1 133 133 LYS N N 133 120.924 120.924 118.192 2.732 18612 1275 1 2 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.110 -0.029 18612 1276 1 2 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.708 0.872 18612 1277 1 2 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.490 -0.018 18612 1278 1 2 . 1 1 133 133 LYS H H 133 7.631 7.631 7.465 0.166 18612 1279 1 2 . 1 1 134 134 ASP N N 134 118.256 118.256 117.342 0.914 18612 1280 1 2 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.615 0.054 18612 1281 1 2 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.832 -0.681 18612 1282 1 2 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.977 -0.596 18612 1283 1 2 . 1 1 134 134 ASP H H 134 7.985 7.985 7.649 0.336 18612 1284 1 2 . 1 1 135 135 GLY N N 135 109.383 109.383 105.935 3.448 18612 1285 1 2 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.572 0.991 18612 1286 1 2 . 1 1 135 135 GLY H H 135 8.019 8.019 8.126 -0.107 18612 1287 1 2 . 1 1 136 136 VAL N N 136 117.112 117.112 120.252 -3.140 18612 1288 1 2 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.967 0.936 18612 1289 1 2 . 1 1 136 136 VAL CA C 136 59.950 59.950 62.387 -2.437 18612 1290 1 2 . 1 1 136 136 VAL CB C 136 35.885 35.885 32.942 2.943 18612 1291 1 2 . 1 1 136 136 VAL H H 136 8.229 8.229 8.238 -0.009 18612 1292 1 2 . 1 1 137 137 ILE N N 137 121.971 121.971 118.945 3.026 18612 1293 1 2 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.217 -0.043 18612 1294 1 2 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.966 -1.406 18612 1295 1 2 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.859 -0.070 18612 1296 1 2 . 1 1 137 137 ILE H H 137 8.975 8.975 8.086 0.889 18612 1297 1 2 . 1 1 138 138 LYS N N 138 126.613 126.613 127.319 -0.706 18612 1298 1 2 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.054 -0.130 18612 1299 1 2 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.097 0.618 18612 1300 1 2 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.513 -1.296 18612 1301 1 2 . 1 1 138 138 LYS H H 138 7.726 7.726 8.613 -0.887 18612 1302 1 2 . 1 1 139 139 LEU N N 139 129.177 129.177 126.226 2.951 18612 1303 1 2 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.826 0.377 18612 1304 1 2 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.130 0.160 18612 1305 1 2 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.526 0.234 18612 1306 1 2 . 1 1 139 139 LEU H H 139 9.404 9.404 8.785 0.619 18612 1307 1 2 . 1 1 140 140 ARG N N 140 128.243 128.243 127.779 0.464 18612 1308 1 2 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.604 0.658 18612 1309 1 2 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.718 -2.033 18612 1310 1 2 . 1 1 140 140 ARG CB C 140 27.990 27.990 31.046 -3.056 18612 1311 1 2 . 1 1 140 140 ARG H H 140 9.540 9.540 8.666 0.874 18612 1312 1 2 . 1 1 142 142 VAL N N 142 129.670 129.670 122.802 6.868 18612 1313 1 2 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.704 -0.157 18612 1314 1 2 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.763 0.187 18612 1315 1 2 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.460 1.228 18612 1316 1 2 . 1 1 142 142 VAL H H 142 8.336 8.336 7.850 0.486 18612 1317 1 2 . 1 1 143 143 THR N N 143 111.061 111.061 114.703 -3.642 18612 1318 1 2 . 1 1 143 143 THR HA H 143 4.157 4.157 4.137 0.020 18612 1319 1 2 . 1 1 143 143 THR CA C 143 69.400 69.400 65.642 3.758 18612 1320 1 2 . 1 1 143 143 THR CB C 143 70.020 70.020 68.655 1.365 18612 1321 1 2 . 1 1 143 143 THR H H 143 8.248 8.248 7.896 0.352 18612 1322 1 2 . 1 1 144 144 SER N N 144 115.158 115.158 114.885 0.273 18612 1323 1 2 . 1 1 144 144 SER HA H 144 4.514 4.514 4.418 0.096 18612 1324 1 2 . 1 1 144 144 SER CA C 144 58.370 58.370 60.087 -1.717 18612 1325 1 2 . 1 1 144 144 SER CB C 144 64.500 64.500 63.499 1.001 18612 1326 1 2 . 1 1 144 144 SER H H 144 7.812 7.812 8.442 -0.630 18612 1327 1 2 . 1 1 145 145 ARG N N 145 116.527 116.527 118.838 -2.311 18612 1328 1 2 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.527 -0.701 18612 1329 1 2 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.108 3.192 18612 1330 1 2 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.683 -3.483 18612 1331 1 2 . 1 1 145 145 ARG H H 145 7.836 7.836 7.692 0.144 18612 1332 1 2 . 1 1 146 146 GLU N N 146 119.889 119.889 117.699 2.190 18612 1333 1 2 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.418 -0.149 18612 1334 1 2 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.907 0.023 18612 1335 1 2 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.894 -0.256 18612 1336 1 2 . 1 1 146 146 GLU H H 146 7.675 7.675 8.518 -0.843 18612 1337 1 2 . 1 1 147 147 GLU N N 147 124.286 124.286 120.248 4.038 18612 1338 1 2 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.567 0.752 18612 1339 1 2 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.254 -0.319 18612 1340 1 2 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.686 1.054 18612 1341 1 2 . 1 1 147 147 GLU H H 147 8.602 8.602 8.169 0.433 18612 1342 1 2 . 1 1 148 148 VAL N N 148 120.587 120.587 118.557 2.030 18612 1343 1 2 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.655 -0.121 18612 1344 1 2 . 1 1 148 148 VAL CA C 148 59.660 59.660 58.830 0.830 18612 1345 1 2 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.577 0.113 18612 1346 1 2 . 1 1 148 148 VAL H H 148 8.536 8.536 8.229 0.307 18612 1347 1 2 . 1 1 149 149 ASP N N 149 125.031 125.031 123.672 1.359 18612 1348 1 2 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.860 0.294 18612 1349 1 2 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.209 -0.296 18612 1350 1 2 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.668 -0.887 18612 1351 1 2 . 1 1 149 149 ASP H H 149 8.411 8.411 8.462 -0.051 18612 1352 1 2 . 1 1 150 150 VAL N N 150 123.264 123.264 124.068 -0.804 18612 1353 1 2 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.548 -0.148 18612 1354 1 2 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.201 0.439 18612 1355 1 2 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.330 -1.305 18612 1356 1 2 . 1 1 150 150 VAL H H 150 9.061 9.061 8.706 0.355 18612 1357 1 2 . 1 1 151 151 ARG N N 151 125.112 125.112 119.172 5.940 18612 1358 1 2 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.722 -0.314 18612 1359 1 2 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.605 2.505 18612 1360 1 2 . 1 1 151 151 ARG CB C 151 29.890 29.890 32.264 -2.374 18612 1361 1 2 . 1 1 151 151 ARG H H 151 9.048 9.048 8.379 0.669 18612 1362 1 2 . 1 1 152 152 ARG N N 152 124.828 124.828 123.735 1.093 18612 1363 1 2 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.933 -0.267 18612 1364 1 2 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.572 0.458 18612 1365 1 2 . 1 1 152 152 ARG CB C 152 30.010 30.010 29.270 0.740 18612 1366 1 2 . 1 1 152 152 ARG H H 152 8.582 8.582 9.067 -0.485 18612 1367 1 2 . 1 1 153 153 GLU N N 153 116.730 116.730 119.636 -2.906 18612 1368 1 2 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.183 0.017 18612 1369 1 2 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.649 -0.679 18612 1370 1 2 . 1 1 153 153 GLU CB C 153 28.580 28.580 28.932 -0.352 18612 1371 1 2 . 1 1 153 153 GLU H H 153 9.924 9.924 8.504 1.420 18612 1372 1 2 . 1 1 154 154 ASP N N 154 119.318 119.318 118.166 1.152 18612 1373 1 2 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.472 0.546 18612 1374 1 2 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.487 -2.095 18612 1375 1 2 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.388 1.902 18612 1376 1 2 . 1 1 154 154 ASP H H 154 7.758 7.758 8.497 -0.739 18612 1377 1 2 . 1 1 155 155 LEU N N 155 121.863 121.863 121.993 -0.130 18612 1378 1 2 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.225 -0.410 18612 1379 1 2 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.402 0.768 18612 1380 1 2 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.382 0.246 18612 1381 1 2 . 1 1 155 155 LEU H H 155 7.315 7.315 8.049 -0.734 18612 1382 1 2 . 1 1 156 156 VAL N N 156 118.555 118.555 115.494 3.061 18612 1383 1 2 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.778 -0.523 18612 1384 1 2 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.488 1.172 18612 1385 1 2 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.809 -0.579 18612 1386 1 2 . 1 1 156 156 VAL H H 156 8.490 8.490 7.644 0.846 18612 1387 1 2 . 1 1 157 157 GLU N N 157 118.568 118.568 120.261 -1.693 18612 1388 1 2 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.114 -0.204 18612 1389 1 2 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.500 -0.080 18612 1390 1 2 . 1 1 157 157 GLU H H 157 8.138 8.138 8.193 -0.055 18612 1391 1 2 . 1 1 158 158 GLU N N 158 118.484 118.484 119.785 -1.301 18612 1392 1 2 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.054 0.086 18612 1393 1 2 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.750 -2.460 18612 1394 1 2 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.835 -0.361 18612 1395 1 2 . 1 1 158 158 GLU H H 158 8.138 8.138 7.668 0.470 18612 1396 1 2 . 1 1 159 159 ILE N N 159 119.508 119.508 116.425 3.083 18612 1397 1 2 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.734 -0.306 18612 1398 1 2 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.222 0.668 18612 1399 1 2 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.552 -7.552 18612 1400 1 2 . 1 1 159 159 ILE H H 159 8.482 8.482 7.801 0.681 18612 1401 1 2 . 1 1 160 160 LYS N N 160 121.513 121.513 120.860 0.653 18612 1402 1 2 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.007 -0.229 18612 1403 1 2 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.542 1.308 18612 1404 1 2 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.327 -0.077 18612 1405 1 2 . 1 1 160 160 LYS H H 160 8.424 8.424 7.903 0.521 18612 1406 1 2 . 1 1 161 161 ARG N N 161 118.966 118.966 118.569 0.397 18612 1407 1 2 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.022 0.047 18612 1408 1 2 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.902 0.428 18612 1409 1 2 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.181 0.711 18612 1410 1 2 . 1 1 161 161 ARG H H 161 8.248 8.248 8.220 0.028 18612 1411 1 2 . 1 1 162 162 ARG N N 162 117.033 117.033 117.194 -0.161 18612 1412 1 2 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.159 0.083 18612 1413 1 2 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.658 -0.601 18612 1414 1 2 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.597 1.193 18612 1415 1 2 . 1 1 162 162 ARG H H 162 7.811 7.811 7.917 -0.106 18612 1416 1 2 . 1 1 163 163 THR N N 163 108.588 108.588 113.687 -5.099 18612 1417 1 2 . 1 1 163 163 THR HA H 163 4.549 4.549 4.199 0.350 18612 1418 1 2 . 1 1 163 163 THR CA C 163 61.820 61.820 64.047 -2.227 18612 1419 1 2 . 1 1 163 163 THR CB C 163 70.020 70.020 69.183 0.837 18612 1420 1 2 . 1 1 163 163 THR H H 163 7.831 7.831 7.695 0.136 18612 1421 1 2 . 1 1 164 164 GLY N N 164 110.640 110.640 110.191 0.449 18612 1422 1 2 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.771 0.942 18612 1423 1 2 . 1 1 164 164 GLY H H 164 7.847 7.847 7.900 -0.053 18612 1424 1 2 . 1 1 165 165 GLN N N 165 120.993 120.993 119.603 1.390 18612 1425 1 2 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.668 -0.726 18612 1426 1 2 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.585 2.492 18612 1427 1 2 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.529 0.040 18612 1428 1 2 . 1 1 165 165 GLN H H 165 8.141 8.141 8.274 -0.133 18612 1429 1 2 . 1 1 167 167 LEU N N 167 122.540 122.540 122.030 0.510 18612 1430 1 2 . 1 1 167 167 LEU H H 167 8.370 8.370 8.477 -0.107 18612 1431 1 2 . 1 1 168 168 SER N N 168 116.635 116.635 115.918 0.717 18612 1432 1 2 . 1 1 168 168 SER H H 168 8.269 8.269 8.454 -0.185 18612 1433 1 2 . 1 1 169 169 ILE N N 169 122.767 122.767 120.697 2.070 18612 1434 1 2 . 1 1 169 169 ILE H H 169 8.165 8.165 8.046 0.119 18612 1435 1 3 . 1 1 2 2 GLU N N 2 120.329 120.329 123.556 -3.227 18612 1436 1 3 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.443 -0.301 18612 1437 1 3 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.186 2.884 18612 1438 1 3 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.530 -1.030 18612 1439 1 3 . 1 1 2 2 GLU H H 2 8.498 8.498 8.581 -0.083 18612 1440 1 3 . 1 1 3 3 ARG N N 3 121.547 121.547 120.772 0.775 18612 1441 1 3 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.076 -0.052 18612 1442 1 3 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.929 0.311 18612 1443 1 3 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.194 -0.244 18612 1444 1 3 . 1 1 3 3 ARG H H 3 8.238 8.238 8.394 -0.156 18612 1445 1 3 . 1 1 4 4 ALA N N 4 121.449 121.449 121.481 -0.032 18612 1446 1 3 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.153 0.050 18612 1447 1 3 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.907 0.132 18612 1448 1 3 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.967 -0.057 18612 1449 1 3 . 1 1 4 4 ALA H H 4 8.068 8.068 8.515 -0.447 18612 1450 1 3 . 1 1 5 5 ALA N N 5 121.000 121.000 121.510 -0.510 18612 1451 1 3 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.357 -0.139 18612 1452 1 3 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.618 0.125 18612 1453 1 3 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.463 -0.053 18612 1454 1 3 . 1 1 5 5 ALA H H 5 7.831 7.831 8.271 -0.440 18612 1455 1 3 . 1 1 6 6 LEU N N 6 121.402 121.402 118.101 3.301 18612 1456 1 3 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.057 0.104 18612 1457 1 3 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.041 -0.091 18612 1458 1 3 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.453 0.589 18612 1459 1 3 . 1 1 6 6 LEU H H 6 7.919 7.919 7.746 0.173 18612 1460 1 3 . 1 1 7 7 GLU N N 7 119.203 119.203 120.456 -1.253 18612 1461 1 3 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.826 0.032 18612 1462 1 3 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.363 -0.133 18612 1463 1 3 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.782 -0.242 18612 1464 1 3 . 1 1 7 7 GLU H H 7 8.706 8.706 8.643 0.063 18612 1465 1 3 . 1 1 8 8 GLU N N 8 120.194 120.194 118.480 1.714 18612 1466 1 3 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.087 0.108 18612 1467 1 3 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.816 0.354 18612 1468 1 3 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.099 0.361 18612 1469 1 3 . 1 1 8 8 GLU H H 8 7.761 7.761 7.928 -0.167 18612 1470 1 3 . 1 1 9 9 LEU N N 9 120.526 120.526 120.653 -0.127 18612 1471 1 3 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.050 0.114 18612 1472 1 3 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.697 0.423 18612 1473 1 3 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.115 -0.327 18612 1474 1 3 . 1 1 9 9 LEU H H 9 7.913 7.913 7.628 0.285 18612 1475 1 3 . 1 1 10 10 VAL N N 10 120.804 120.804 119.996 0.808 18612 1476 1 3 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.544 -0.087 18612 1477 1 3 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.067 0.964 18612 1478 1 3 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.956 1.091 18612 1479 1 3 . 1 1 10 10 VAL H H 10 8.570 8.570 8.269 0.301 18612 1480 1 3 . 1 1 11 11 LYS N N 11 123.175 123.175 120.325 2.850 18612 1481 1 3 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.968 0.076 18612 1482 1 3 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.853 0.016 18612 1483 1 3 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.081 0.311 18612 1484 1 3 . 1 1 11 11 LYS H H 11 7.909 7.909 7.628 0.281 18612 1485 1 3 . 1 1 12 12 LEU N N 12 120.772 120.772 117.940 2.832 18612 1486 1 3 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.002 0.104 18612 1487 1 3 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.514 0.406 18612 1488 1 3 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.603 0.234 18612 1489 1 3 . 1 1 12 12 LEU H H 12 8.436 8.436 7.897 0.539 18612 1490 1 3 . 1 1 13 13 GLN N N 13 121.677 121.677 119.598 2.079 18612 1491 1 3 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.097 0.237 18612 1492 1 3 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.289 -1.889 18612 1493 1 3 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.261 -1.741 18612 1494 1 3 . 1 1 13 13 GLN H H 13 8.710 8.710 7.486 1.224 18612 1495 1 3 . 1 1 14 14 GLY N N 14 109.543 109.543 107.826 1.717 18612 1496 1 3 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.195 0.368 18612 1497 1 3 . 1 1 14 14 GLY H H 14 8.714 8.714 8.806 -0.092 18612 1498 1 3 . 1 1 15 15 GLU N N 15 123.144 123.144 121.598 1.546 18612 1499 1 3 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.174 -0.026 18612 1500 1 3 . 1 1 15 15 GLU CA C 15 58.970 58.970 58.998 -0.028 18612 1501 1 3 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.616 -0.157 18612 1502 1 3 . 1 1 15 15 GLU H H 15 7.913 7.913 7.882 0.031 18612 1503 1 3 . 1 1 16 16 ARG N N 16 123.135 123.135 120.571 2.564 18612 1504 1 3 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.104 0.034 18612 1505 1 3 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.390 -0.420 18612 1506 1 3 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.102 -0.702 18612 1507 1 3 . 1 1 16 16 ARG H H 16 8.104 8.104 7.743 0.361 18612 1508 1 3 . 1 1 17 17 VAL N N 17 119.501 119.501 119.534 -0.033 18612 1509 1 3 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.683 -0.270 18612 1510 1 3 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.182 1.268 18612 1511 1 3 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.004 1.054 18612 1512 1 3 . 1 1 17 17 VAL H H 17 8.192 8.192 8.545 -0.353 18612 1513 1 3 . 1 1 18 18 ARG N N 18 119.372 119.372 119.419 -0.047 18612 1514 1 3 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.007 -0.073 18612 1515 1 3 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.847 0.213 18612 1516 1 3 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.945 0.327 18612 1517 1 3 . 1 1 18 18 ARG H H 18 7.980 7.980 7.971 0.009 18612 1518 1 3 . 1 1 19 19 GLY N N 19 107.241 107.241 107.636 -0.395 18612 1519 1 3 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.959 0.403 18612 1520 1 3 . 1 1 19 19 GLY H H 19 8.362 8.362 8.072 0.290 18612 1521 1 3 . 1 1 20 20 LEU N N 20 122.627 122.627 120.418 2.209 18612 1522 1 3 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.423 -0.374 18612 1523 1 3 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.389 0.501 18612 1524 1 3 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.954 0.466 18612 1525 1 3 . 1 1 20 20 LEU H H 20 8.049 8.049 8.381 -0.332 18612 1526 1 3 . 1 1 21 21 LYS N N 21 118.255 118.255 120.458 -2.203 18612 1527 1 3 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.867 0.191 18612 1528 1 3 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.732 0.278 18612 1529 1 3 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.108 0.487 18612 1530 1 3 . 1 1 21 21 LYS H H 21 8.123 8.123 8.550 -0.427 18612 1531 1 3 . 1 1 22 22 GLN N N 22 121.183 121.183 117.635 3.548 18612 1532 1 3 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.191 -0.104 18612 1533 1 3 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.401 0.359 18612 1534 1 3 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.087 -0.486 18612 1535 1 3 . 1 1 22 22 GLN H H 22 8.234 8.234 7.655 0.579 18612 1536 1 3 . 1 1 23 23 GLN N N 23 116.219 116.219 117.883 -1.664 18612 1537 1 3 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.259 0.004 18612 1538 1 3 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.369 -1.691 18612 1539 1 3 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.693 -0.423 18612 1540 1 3 . 1 1 23 23 GLN H H 23 7.820 7.820 7.806 0.014 18612 1541 1 3 . 1 1 24 24 LYS N N 24 117.349 117.349 116.047 1.302 18612 1542 1 3 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.500 -0.588 18612 1543 1 3 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.664 1.366 18612 1544 1 3 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.364 -4.514 18612 1545 1 3 . 1 1 24 24 LYS H H 24 7.884 7.884 8.081 -0.197 18612 1546 1 3 . 1 1 25 25 ALA N N 25 119.909 119.909 122.663 -2.754 18612 1547 1 3 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.169 0.110 18612 1548 1 3 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.555 -1.535 18612 1549 1 3 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.514 2.806 18612 1550 1 3 . 1 1 25 25 ALA H H 25 7.620 7.620 7.995 -0.375 18612 1551 1 3 . 1 1 26 26 SER N N 26 113.188 113.188 115.657 -2.469 18612 1552 1 3 . 1 1 26 26 SER HA H 26 4.244 4.244 4.294 -0.050 18612 1553 1 3 . 1 1 26 26 SER CA C 26 58.390 58.390 59.095 -0.705 18612 1554 1 3 . 1 1 26 26 SER CB C 26 63.830 63.830 62.842 0.988 18612 1555 1 3 . 1 1 26 26 SER H H 26 8.228 8.228 8.336 -0.108 18612 1556 1 3 . 1 1 27 27 ALA N N 27 127.550 127.550 125.676 1.874 18612 1557 1 3 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.985 -0.001 18612 1558 1 3 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.535 1.047 18612 1559 1 3 . 1 1 27 27 ALA CB C 27 18.770 18.770 16.868 1.902 18612 1560 1 3 . 1 1 27 27 ALA H H 27 8.769 8.769 8.473 0.296 18612 1561 1 3 . 1 1 28 28 GLU N N 28 117.317 117.317 120.181 -2.864 18612 1562 1 3 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.171 -0.097 18612 1563 1 3 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.020 0.680 18612 1564 1 3 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.881 -0.801 18612 1565 1 3 . 1 1 28 28 GLU H H 28 8.830 8.830 8.220 0.610 18612 1566 1 3 . 1 1 29 29 LEU N N 29 122.971 122.971 120.318 2.653 18612 1567 1 3 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.146 0.165 18612 1568 1 3 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.665 -0.095 18612 1569 1 3 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.957 -0.352 18612 1570 1 3 . 1 1 29 29 LEU H H 29 7.401 7.401 7.785 -0.384 18612 1571 1 3 . 1 1 30 30 ILE N N 30 118.784 118.784 120.511 -1.727 18612 1572 1 3 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.630 -0.233 18612 1573 1 3 . 1 1 30 30 ILE CA C 30 66.310 66.310 66.094 0.216 18612 1574 1 3 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.980 -0.157 18612 1575 1 3 . 1 1 30 30 ILE H H 30 8.019 8.019 8.983 -0.964 18612 1576 1 3 . 1 1 31 31 GLU N N 31 118.215 118.215 118.586 -0.371 18612 1577 1 3 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.984 -0.016 18612 1578 1 3 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.773 0.067 18612 1579 1 3 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.088 0.352 18612 1580 1 3 . 1 1 31 31 GLU H H 31 8.367 8.367 8.077 0.290 18612 1581 1 3 . 1 1 32 32 GLU N N 32 120.284 120.284 119.706 0.578 18612 1582 1 3 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.030 0.124 18612 1583 1 3 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.830 -0.450 18612 1584 1 3 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.517 0.323 18612 1585 1 3 . 1 1 32 32 GLU H H 32 7.667 7.667 7.897 -0.230 18612 1586 1 3 . 1 1 33 33 GLU N N 33 120.010 120.010 118.814 1.196 18612 1587 1 3 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.126 0.092 18612 1588 1 3 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.057 -0.677 18612 1589 1 3 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.578 -1.399 18612 1590 1 3 . 1 1 33 33 GLU H H 33 8.156 8.156 7.908 0.248 18612 1591 1 3 . 1 1 34 34 VAL N N 34 125.322 125.322 120.297 5.025 18612 1592 1 3 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.702 -0.060 18612 1593 1 3 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.133 0.717 18612 1594 1 3 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.148 0.692 18612 1595 1 3 . 1 1 34 34 VAL H H 34 9.243 9.243 7.747 1.496 18612 1596 1 3 . 1 1 35 35 ALA N N 35 123.214 123.214 122.106 1.108 18612 1597 1 3 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.875 0.223 18612 1598 1 3 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.600 0.142 18612 1599 1 3 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.244 -0.994 18612 1600 1 3 . 1 1 35 35 ALA H H 35 8.160 8.160 8.268 -0.108 18612 1601 1 3 . 1 1 36 36 LYS N N 36 117.979 117.979 118.470 -0.491 18612 1602 1 3 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.985 0.010 18612 1603 1 3 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.391 0.409 18612 1604 1 3 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.236 0.626 18612 1605 1 3 . 1 1 36 36 LYS H H 36 7.607 7.607 7.679 -0.072 18612 1606 1 3 . 1 1 37 37 LEU N N 37 120.957 120.957 121.690 -0.733 18612 1607 1 3 . 1 1 37 37 LEU HA H 37 4.003 4.003 3.965 0.038 18612 1608 1 3 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.402 0.108 18612 1609 1 3 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.907 0.123 18612 1610 1 3 . 1 1 37 37 LEU H H 37 7.762 7.762 7.673 0.089 18612 1611 1 3 . 1 1 38 38 LEU N N 38 118.910 118.910 118.911 -0.001 18612 1612 1 3 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.884 0.092 18612 1613 1 3 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.136 0.134 18612 1614 1 3 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.136 -0.178 18612 1615 1 3 . 1 1 38 38 LEU H H 38 8.636 8.636 7.774 0.862 18612 1616 1 3 . 1 1 39 39 LYS N N 39 120.804 120.804 119.153 1.651 18612 1617 1 3 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.026 0.054 18612 1618 1 3 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.184 0.267 18612 1619 1 3 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.247 0.411 18612 1620 1 3 . 1 1 39 39 LYS H H 39 7.864 7.864 7.655 0.209 18612 1621 1 3 . 1 1 40 40 LEU N N 40 120.940 120.940 121.412 -0.472 18612 1622 1 3 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.065 0.045 18612 1623 1 3 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.014 -0.074 18612 1624 1 3 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.728 1.358 18612 1625 1 3 . 1 1 40 40 LEU H H 40 7.831 7.831 8.618 -0.787 18612 1626 1 3 . 1 1 41 41 LYS N N 41 117.563 117.563 118.701 -1.138 18612 1627 1 3 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.863 -0.013 18612 1628 1 3 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.958 0.122 18612 1629 1 3 . 1 1 41 41 LYS CB C 41 32.503 32.503 32.119 0.384 18612 1630 1 3 . 1 1 41 41 LYS H H 41 8.493 8.493 8.051 0.442 18612 1631 1 3 . 1 1 42 42 ALA N N 42 121.396 121.396 121.057 0.339 18612 1632 1 3 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.026 0.163 18612 1633 1 3 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.672 -0.392 18612 1634 1 3 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.325 -0.424 18612 1635 1 3 . 1 1 42 42 ALA H H 42 7.918 7.918 7.693 0.225 18612 1636 1 3 . 1 1 43 43 GLN N N 43 116.883 116.883 117.765 -0.882 18612 1637 1 3 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.015 0.121 18612 1638 1 3 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.307 -0.897 18612 1639 1 3 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.760 0.820 18612 1640 1 3 . 1 1 43 43 GLN H H 43 7.591 7.591 7.588 0.003 18612 1641 1 3 . 1 1 44 44 LEU N N 44 119.828 119.828 118.809 1.019 18612 1642 1 3 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.106 0.102 18612 1643 1 3 . 1 1 44 44 LEU CA C 44 56.077 56.077 57.133 -1.056 18612 1644 1 3 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.530 -0.103 18612 1645 1 3 . 1 1 44 44 LEU H H 44 7.574 7.574 7.747 -0.173 18612 1646 1 3 . 1 1 45 45 GLY N N 45 106.906 106.906 103.212 3.694 18612 1647 1 3 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.317 1.207 18612 1648 1 3 . 1 1 45 45 GLY H H 45 7.687 7.687 7.592 0.095 18612 1649 1 3 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.508 -0.061 18612 1650 1 3 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.208 -0.098 18612 1651 1 3 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.452 -0.021 18612 1652 1 3 . 1 1 47 47 ASP N N 47 121.060 121.060 119.744 1.316 18612 1653 1 3 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.665 -0.087 18612 1654 1 3 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.858 0.624 18612 1655 1 3 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.292 -0.289 18612 1656 1 3 . 1 1 47 47 ASP H H 47 8.446 8.446 8.254 0.192 18612 1657 1 3 . 1 1 48 48 GLU N N 48 123.347 123.347 123.620 -0.273 18612 1658 1 3 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.207 0.037 18612 1659 1 3 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.835 -0.905 18612 1660 1 3 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.067 0.480 18612 1661 1 3 . 1 1 48 48 GLU H H 48 8.577 8.577 8.740 -0.163 18612 1662 1 3 . 1 1 49 49 SER N N 49 116.751 116.751 114.711 2.040 18612 1663 1 3 . 1 1 49 49 SER HA H 49 4.349 4.349 4.338 0.011 18612 1664 1 3 . 1 1 49 49 SER CA C 49 59.380 59.380 59.530 -0.150 18612 1665 1 3 . 1 1 49 49 SER CB C 49 63.460 63.460 63.374 0.086 18612 1666 1 3 . 1 1 49 49 SER H H 49 8.399 8.399 8.221 0.178 18612 1667 1 3 . 1 1 50 50 LYS N N 50 121.935 121.935 121.695 0.240 18612 1668 1 3 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.057 0.384 18612 1669 1 3 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.907 -0.387 18612 1670 1 3 . 1 1 50 50 LYS CB C 50 30.455 30.455 31.416 -0.961 18612 1671 1 3 . 1 1 50 50 LYS H H 50 8.058 8.058 7.780 0.278 18612 1672 1 3 . 1 1 51 51 GLN N N 51 122.155 122.155 122.681 -0.526 18612 1673 1 3 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.202 0.001 18612 1674 1 3 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.580 0.629 18612 1675 1 3 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.140 1.648 18612 1676 1 3 . 1 1 51 51 GLN H H 51 8.273 8.273 8.181 0.092 18612 1677 1 3 . 1 1 52 52 LYS N N 52 122.761 122.761 120.233 2.528 18612 1678 1 3 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.262 0.053 18612 1679 1 3 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.733 0.747 18612 1680 1 3 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.716 0.206 18612 1681 1 3 . 1 1 52 52 LYS H H 52 8.251 8.251 8.417 -0.166 18612 1682 1 3 . 1 1 53 53 PHE N N 53 121.326 121.326 118.390 2.936 18612 1683 1 3 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.674 -0.030 18612 1684 1 3 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.975 -0.335 18612 1685 1 3 . 1 1 53 53 PHE CB C 53 39.588 39.588 40.259 -0.671 18612 1686 1 3 . 1 1 53 53 PHE H H 53 8.153 8.153 7.846 0.307 18612 1687 1 3 . 1 1 54 54 VAL N N 54 122.941 122.941 118.324 4.617 18612 1688 1 3 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.799 0.244 18612 1689 1 3 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.223 -0.243 18612 1690 1 3 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.759 1.423 18612 1691 1 3 . 1 1 54 54 VAL H H 54 7.960 7.960 7.774 0.186 18612 1692 1 3 . 1 1 55 55 LEU N N 55 126.751 126.751 121.625 5.126 18612 1693 1 3 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.079 0.234 18612 1694 1 3 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.745 -0.685 18612 1695 1 3 . 1 1 55 55 LEU CB C 55 42.315 42.315 41.917 0.398 18612 1696 1 3 . 1 1 55 55 LEU H H 55 8.226 8.226 8.478 -0.252 18612 1697 1 3 . 1 1 56 56 LYS N N 56 123.614 123.614 124.535 -0.921 18612 1698 1 3 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.718 -0.346 18612 1699 1 3 . 1 1 56 56 LYS CA C 56 55.912 55.912 54.251 1.661 18612 1700 1 3 . 1 1 56 56 LYS CB C 56 33.191 33.191 35.662 -2.471 18612 1701 1 3 . 1 1 56 56 LYS H H 56 8.320 8.320 8.364 -0.044 18612 1702 1 3 . 1 1 57 57 THR N N 57 115.794 115.794 114.406 1.388 18612 1703 1 3 . 1 1 57 57 THR HA H 57 4.349 4.349 4.749 -0.400 18612 1704 1 3 . 1 1 57 57 THR CA C 57 58.960 58.960 59.705 -0.745 18612 1705 1 3 . 1 1 57 57 THR CB C 57 70.740 70.740 68.344 2.396 18612 1706 1 3 . 1 1 57 57 THR H H 57 7.892 7.892 8.127 -0.235 18612 1707 1 3 . 1 1 59 59 LYS N N 59 121.755 121.755 122.561 -0.806 18612 1708 1 3 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.264 -0.037 18612 1709 1 3 . 1 1 59 59 LYS CA C 59 56.520 56.520 57.020 -0.500 18612 1710 1 3 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.977 0.117 18612 1711 1 3 . 1 1 59 59 LYS H H 59 8.300 8.300 8.683 -0.383 18612 1712 1 3 . 1 1 60 60 ALA N N 60 125.263 125.263 120.770 4.493 18612 1713 1 3 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.364 -0.086 18612 1714 1 3 . 1 1 60 60 ALA CA C 60 52.864 52.864 51.815 1.049 18612 1715 1 3 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.240 -0.260 18612 1716 1 3 . 1 1 60 60 ALA H H 60 8.290 8.290 7.969 0.321 18612 1717 1 3 . 1 1 61 61 LEU N N 61 121.255 121.255 122.637 -1.382 18612 1718 1 3 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.311 -0.031 18612 1719 1 3 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.902 -0.317 18612 1720 1 3 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.730 0.515 18612 1721 1 3 . 1 1 61 61 LEU H H 61 8.144 8.144 7.736 0.408 18612 1722 1 3 . 1 1 62 62 GLU N N 62 121.401 121.401 121.614 -0.213 18612 1723 1 3 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.155 0.121 18612 1724 1 3 . 1 1 62 62 GLU CA C 62 56.930 56.930 57.138 -0.208 18612 1725 1 3 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.177 0.058 18612 1726 1 3 . 1 1 62 62 GLU H H 62 8.266 8.266 8.508 -0.242 18612 1727 1 3 . 1 1 64 64 LYS N N 64 120.575 120.575 120.153 0.422 18612 1728 1 3 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.174 0.070 18612 1729 1 3 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.354 -0.269 18612 1730 1 3 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.559 -3.089 18612 1731 1 3 . 1 1 64 64 LYS H H 64 8.106 8.106 7.620 0.486 18612 1732 1 3 . 1 1 65 65 ILE N N 65 122.492 122.492 119.223 3.269 18612 1733 1 3 . 1 1 65 65 ILE HA H 65 4.140 4.140 3.799 0.341 18612 1734 1 3 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.310 -0.130 18612 1735 1 3 . 1 1 65 65 ILE CB C 65 38.550 38.550 37.804 0.746 18612 1736 1 3 . 1 1 65 65 ILE H H 65 8.135 8.135 8.344 -0.209 18612 1737 1 3 . 1 1 66 66 ARG N N 66 125.714 125.714 127.170 -1.456 18612 1738 1 3 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.427 0.041 18612 1739 1 3 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.794 0.273 18612 1740 1 3 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.990 0.036 18612 1741 1 3 . 1 1 66 66 ARG H H 66 8.402 8.402 8.188 0.214 18612 1742 1 3 . 1 1 67 67 THR N N 67 115.622 115.622 111.752 3.870 18612 1743 1 3 . 1 1 67 67 THR HA H 67 4.445 4.445 4.030 0.415 18612 1744 1 3 . 1 1 67 67 THR CA C 67 61.650 61.650 63.071 -1.421 18612 1745 1 3 . 1 1 67 67 THR CB C 67 69.620 69.620 68.803 0.817 18612 1746 1 3 . 1 1 67 67 THR H H 67 8.281 8.281 8.481 -0.200 18612 1747 1 3 . 1 1 68 68 THR N N 68 116.774 116.774 113.847 2.927 18612 1748 1 3 . 1 1 68 68 THR HA H 68 4.503 4.503 4.335 0.168 18612 1749 1 3 . 1 1 68 68 THR CA C 68 61.050 61.050 63.252 -2.202 18612 1750 1 3 . 1 1 68 68 THR CB C 68 69.210 69.210 68.683 0.527 18612 1751 1 3 . 1 1 68 68 THR H H 68 8.076 8.076 8.244 -0.168 18612 1752 1 3 . 1 1 69 69 GLU N N 69 124.048 124.048 119.877 4.171 18612 1753 1 3 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.594 -0.218 18612 1754 1 3 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.367 0.033 18612 1755 1 3 . 1 1 69 69 GLU CB C 69 30.618 30.618 31.732 -1.114 18612 1756 1 3 . 1 1 69 69 GLU H H 69 8.515 8.515 8.568 -0.053 18612 1757 1 3 . 1 1 70 70 THR N N 70 118.988 118.988 114.081 4.907 18612 1758 1 3 . 1 1 70 70 THR HA H 70 3.741 3.741 4.639 -0.898 18612 1759 1 3 . 1 1 70 70 THR CA C 70 64.680 64.680 62.281 2.399 18612 1760 1 3 . 1 1 70 70 THR CB C 70 68.770 68.770 70.165 -1.395 18612 1761 1 3 . 1 1 70 70 THR H H 70 8.259 8.259 7.426 0.833 18612 1762 1 3 . 1 1 71 71 GLN N N 71 125.858 125.858 126.636 -0.778 18612 1763 1 3 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.607 -0.313 18612 1764 1 3 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.773 0.627 18612 1765 1 3 . 1 1 71 71 GLN CB C 71 32.071 32.071 31.235 0.836 18612 1766 1 3 . 1 1 71 71 GLN H H 71 8.795 8.795 9.100 -0.305 18612 1767 1 3 . 1 1 72 72 VAL N N 72 113.505 113.505 110.035 3.470 18612 1768 1 3 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.023 -0.125 18612 1769 1 3 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.780 -0.160 18612 1770 1 3 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.301 0.103 18612 1771 1 3 . 1 1 72 72 VAL H H 72 7.325 7.325 7.600 -0.275 18612 1772 1 3 . 1 1 73 73 LEU N N 73 128.725 128.725 120.759 7.966 18612 1773 1 3 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.942 0.150 18612 1774 1 3 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.462 -0.722 18612 1775 1 3 . 1 1 73 73 LEU CB C 73 45.081 45.081 44.480 0.601 18612 1776 1 3 . 1 1 73 73 LEU H H 73 8.170 8.170 8.287 -0.117 18612 1777 1 3 . 1 1 74 74 VAL N N 74 127.634 127.634 124.425 3.209 18612 1778 1 3 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.440 0.326 18612 1779 1 3 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.989 0.101 18612 1780 1 3 . 1 1 74 74 VAL CB C 74 31.690 31.690 31.289 0.401 18612 1781 1 3 . 1 1 74 74 VAL H H 74 8.913 8.913 8.773 0.140 18612 1782 1 3 . 1 1 75 75 ALA N N 75 132.602 132.602 130.556 2.046 18612 1783 1 3 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.710 0.097 18612 1784 1 3 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.049 0.851 18612 1785 1 3 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.181 1.739 18612 1786 1 3 . 1 1 75 75 ALA H H 75 9.421 9.421 8.866 0.555 18612 1787 1 3 . 1 1 76 76 SER N N 76 111.274 111.274 112.865 -1.591 18612 1788 1 3 . 1 1 76 76 SER HA H 76 4.951 4.951 5.406 -0.455 18612 1789 1 3 . 1 1 76 76 SER CA C 76 56.940 56.940 57.426 -0.486 18612 1790 1 3 . 1 1 76 76 SER CB C 76 65.960 65.960 66.333 -0.373 18612 1791 1 3 . 1 1 76 76 SER H H 76 8.106 8.106 8.151 -0.045 18612 1792 1 3 . 1 1 77 77 ALA N N 77 125.393 125.393 124.598 0.795 18612 1793 1 3 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.834 -0.373 18612 1794 1 3 . 1 1 77 77 ALA CA C 77 52.754 52.754 50.311 2.443 18612 1795 1 3 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.771 -1.031 18612 1796 1 3 . 1 1 77 77 ALA H H 77 9.004 9.004 8.358 0.646 18612 1797 1 3 . 1 1 78 78 GLN N N 78 116.290 116.290 115.940 0.350 18612 1798 1 3 . 1 1 78 78 GLN HA H 78 4.443 4.443 3.886 0.557 18612 1799 1 3 . 1 1 78 78 GLN CA C 78 56.630 56.630 58.248 -1.618 18612 1800 1 3 . 1 1 78 78 GLN CB C 78 30.553 30.553 27.840 2.713 18612 1801 1 3 . 1 1 78 78 GLN H H 78 7.985 7.985 8.654 -0.669 18612 1802 1 3 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.081 0.482 18612 1803 1 3 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.754 -7.754 18612 1804 1 3 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.079 -1.058 18612 1805 1 3 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.283 0.515 18612 1806 1 3 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.070 -0.164 18612 1807 1 3 . 1 1 85 85 ARG N N 85 119.948 119.948 119.126 0.822 18612 1808 1 3 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.083 -0.212 18612 1809 1 3 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.519 1.161 18612 1810 1 3 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.890 2.031 18612 1811 1 3 . 1 1 85 85 ARG H H 85 8.229 8.229 7.902 0.327 18612 1812 1 3 . 1 1 86 86 LEU N N 86 120.227 120.227 120.120 0.107 18612 1813 1 3 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.049 -0.223 18612 1814 1 3 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.093 0.097 18612 1815 1 3 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.853 -0.265 18612 1816 1 3 . 1 1 86 86 LEU H H 86 8.459 8.459 7.934 0.525 18612 1817 1 3 . 1 1 87 87 LYS N N 87 120.470 120.470 119.903 0.567 18612 1818 1 3 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.087 -0.066 18612 1819 1 3 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.205 0.175 18612 1820 1 3 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.148 0.750 18612 1821 1 3 . 1 1 87 87 LYS H H 87 7.945 7.945 7.894 0.051 18612 1822 1 3 . 1 1 88 88 LEU N N 88 119.799 119.799 120.789 -0.990 18612 1823 1 3 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.216 -0.009 18612 1824 1 3 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.860 -0.180 18612 1825 1 3 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.257 -0.032 18612 1826 1 3 . 1 1 88 88 LEU H H 88 7.547 7.547 8.262 -0.715 18612 1827 1 3 . 1 1 89 89 VAL N N 89 118.828 118.828 116.934 1.894 18612 1828 1 3 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.666 -0.348 18612 1829 1 3 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.301 1.449 18612 1830 1 3 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.435 0.943 18612 1831 1 3 . 1 1 89 89 VAL H H 89 8.347 8.347 8.374 -0.027 18612 1832 1 3 . 1 1 90 90 SER N N 90 114.835 114.835 116.441 -1.606 18612 1833 1 3 . 1 1 90 90 SER HA H 90 4.207 4.207 4.086 0.121 18612 1834 1 3 . 1 1 90 90 SER CA C 90 62.000 62.000 62.292 -0.292 18612 1835 1 3 . 1 1 90 90 SER CB C 90 62.770 62.770 63.002 -0.232 18612 1836 1 3 . 1 1 90 90 SER H H 90 7.942 7.942 7.902 0.040 18612 1837 1 3 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.994 0.049 18612 1838 1 3 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.868 -0.428 18612 1839 1 3 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.687 0.547 18612 1840 1 3 . 1 1 92 92 LEU N N 92 119.720 119.720 119.551 0.169 18612 1841 1 3 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.027 -0.079 18612 1842 1 3 . 1 1 92 92 LEU CA C 92 58.120 58.120 59.230 -1.110 18612 1843 1 3 . 1 1 92 92 LEU CB C 92 40.576 40.576 42.186 -1.610 18612 1844 1 3 . 1 1 92 92 LEU H H 92 8.379 8.379 7.832 0.547 18612 1845 1 3 . 1 1 93 93 GLN N N 93 120.938 120.938 118.888 2.050 18612 1846 1 3 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.460 0.093 18612 1847 1 3 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.310 0.740 18612 1848 1 3 . 1 1 93 93 GLN CB C 93 27.980 27.980 27.885 0.095 18612 1849 1 3 . 1 1 93 93 GLN H H 93 8.751 8.751 8.643 0.108 18612 1850 1 3 . 1 1 94 94 ASP N N 94 122.442 122.442 119.544 2.898 18612 1851 1 3 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.481 -0.022 18612 1852 1 3 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.209 0.891 18612 1853 1 3 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.130 -0.869 18612 1854 1 3 . 1 1 94 94 ASP H H 94 8.470 8.470 8.377 0.093 18612 1855 1 3 . 1 1 95 95 ALA N N 95 120.437 120.437 121.057 -0.620 18612 1856 1 3 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.374 0.138 18612 1857 1 3 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.575 -1.829 18612 1858 1 3 . 1 1 95 95 ALA CB C 95 20.020 20.020 20.150 -0.130 18612 1859 1 3 . 1 1 95 95 ALA H H 95 7.340 7.340 7.699 -0.359 18612 1860 1 3 . 1 1 96 96 GLY N N 96 106.865 106.865 107.382 -0.517 18612 1861 1 3 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.581 0.709 18612 1862 1 3 . 1 1 96 96 GLY H H 96 7.987 7.987 7.797 0.190 18612 1863 1 3 . 1 1 97 97 ILE N N 97 122.489 122.489 117.515 4.974 18612 1864 1 3 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.315 -0.061 18612 1865 1 3 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.331 0.319 18612 1866 1 3 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.464 -0.491 18612 1867 1 3 . 1 1 97 97 ILE H H 97 8.062 8.062 7.624 0.438 18612 1868 1 3 . 1 1 98 98 LYS N N 98 127.459 127.459 123.725 3.734 18612 1869 1 3 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.249 0.258 18612 1870 1 3 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.677 -0.756 18612 1871 1 3 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.645 -0.211 18612 1872 1 3 . 1 1 98 98 LYS H H 98 8.574 8.574 8.607 -0.033 18612 1873 1 3 . 1 1 99 99 ALA N N 99 130.423 130.423 128.970 1.453 18612 1874 1 3 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.329 0.435 18612 1875 1 3 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.363 -1.152 18612 1876 1 3 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.283 3.587 18612 1877 1 3 . 1 1 99 99 ALA H H 99 7.813 7.813 8.265 -0.452 18612 1878 1 3 . 1 1 100 100 GLU N N 100 118.988 118.988 122.653 -3.665 18612 1879 1 3 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.808 0.027 18612 1880 1 3 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.366 -0.660 18612 1881 1 3 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.572 2.349 18612 1882 1 3 . 1 1 100 100 GLU H H 100 8.226 8.226 8.194 0.032 18612 1883 1 3 . 1 1 101 101 LEU N N 101 120.024 120.024 118.718 1.306 18612 1884 1 3 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.286 0.428 18612 1885 1 3 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.848 0.912 18612 1886 1 3 . 1 1 101 101 LEU CB C 101 44.084 44.084 42.858 1.226 18612 1887 1 3 . 1 1 101 101 LEU H H 101 8.478 8.478 8.380 0.098 18612 1888 1 3 . 1 1 102 102 LEU N N 102 118.623 118.623 122.383 -3.760 18612 1889 1 3 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.236 -0.202 18612 1890 1 3 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.669 3.791 18612 1891 1 3 . 1 1 102 102 LEU CB C 102 41.225 41.225 42.731 -1.506 18612 1892 1 3 . 1 1 102 102 LEU H H 102 8.763 8.763 6.100 2.663 18612 1893 1 3 . 1 1 103 103 TYR N N 103 115.970 115.970 115.013 0.957 18612 1894 1 3 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.558 0.024 18612 1895 1 3 . 1 1 103 103 TYR CA C 103 55.973 55.973 55.086 0.887 18612 1896 1 3 . 1 1 103 103 TYR CB C 103 38.732 38.732 36.752 1.980 18612 1897 1 3 . 1 1 103 103 TYR H H 103 7.378 7.378 6.724 0.654 18612 1898 1 3 . 1 1 104 104 LYS N N 104 120.577 120.577 122.741 -2.164 18612 1899 1 3 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.262 -0.123 18612 1900 1 3 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.168 -0.688 18612 1901 1 3 . 1 1 104 104 LYS CB C 104 32.922 32.922 30.536 2.386 18612 1902 1 3 . 1 1 104 104 LYS H H 104 7.906 7.906 8.108 -0.202 18612 1903 1 3 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.055 -0.026 18612 1904 1 3 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.232 -0.233 18612 1905 1 3 . 1 1 113 113 LEU N N 113 120.147 120.147 120.932 -0.785 18612 1906 1 3 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.058 -0.075 18612 1907 1 3 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.463 0.957 18612 1908 1 3 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.377 -0.784 18612 1909 1 3 . 1 1 113 113 LEU H H 113 8.365 8.365 8.820 -0.455 18612 1910 1 3 . 1 1 114 114 GLN N N 114 119.995 119.995 117.733 2.262 18612 1911 1 3 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.084 -0.047 18612 1912 1 3 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.929 0.041 18612 1913 1 3 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.629 -0.439 18612 1914 1 3 . 1 1 114 114 GLN H H 114 8.126 8.126 7.806 0.320 18612 1915 1 3 . 1 1 115 115 TYR N N 115 120.358 120.358 121.466 -1.108 18612 1916 1 3 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.328 -0.033 18612 1917 1 3 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.149 -0.119 18612 1918 1 3 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.652 -0.883 18612 1919 1 3 . 1 1 115 115 TYR H H 115 7.819 7.819 8.133 -0.314 18612 1920 1 3 . 1 1 116 116 CYS N N 116 116.264 116.264 118.715 -2.451 18612 1921 1 3 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.020 -0.204 18612 1922 1 3 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.862 2.368 18612 1923 1 3 . 1 1 116 116 CYS CB C 116 27.320 27.320 26.345 0.975 18612 1924 1 3 . 1 1 116 116 CYS H H 116 7.710 7.710 8.568 -0.858 18612 1925 1 3 . 1 1 117 117 GLU N N 117 119.526 119.526 120.852 -1.326 18612 1926 1 3 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.060 -0.212 18612 1927 1 3 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.170 -0.020 18612 1928 1 3 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.596 0.104 18612 1929 1 3 . 1 1 117 117 GLU H H 117 7.912 7.912 7.891 0.021 18612 1930 1 3 . 1 1 118 118 GLU N N 118 119.875 119.875 116.935 2.940 18612 1931 1 3 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.210 -0.241 18612 1932 1 3 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.172 0.608 18612 1933 1 3 . 1 1 118 118 GLU CB C 118 29.810 29.810 30.173 -0.363 18612 1934 1 3 . 1 1 118 118 GLU H H 118 7.988 7.988 7.765 0.223 18612 1935 1 3 . 1 1 119 119 ALA N N 119 119.118 119.118 121.766 -2.648 18612 1936 1 3 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.208 -0.042 18612 1937 1 3 . 1 1 119 119 ALA CA C 119 52.654 52.654 51.972 0.682 18612 1938 1 3 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.916 0.164 18612 1939 1 3 . 1 1 119 119 ALA H H 119 8.137 8.137 7.508 0.629 18612 1940 1 3 . 1 1 120 120 GLY N N 120 106.604 106.604 106.502 0.102 18612 1941 1 3 . 1 1 120 120 GLY CA C 120 46.377 46.377 45.283 1.094 18612 1942 1 3 . 1 1 120 120 GLY H H 120 7.550 7.550 7.612 -0.062 18612 1943 1 3 . 1 1 121 121 ILE N N 121 124.026 124.026 120.059 3.967 18612 1944 1 3 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.290 -0.279 18612 1945 1 3 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.344 1.706 18612 1946 1 3 . 1 1 121 121 ILE CB C 121 40.051 40.051 38.275 1.776 18612 1947 1 3 . 1 1 121 121 ILE H H 121 7.918 7.918 8.137 -0.219 18612 1948 1 3 . 1 1 123 123 LEU N N 123 119.541 119.541 118.012 1.529 18612 1949 1 3 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.681 0.822 18612 1950 1 3 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.643 0.043 18612 1951 1 3 . 1 1 123 123 LEU CB C 123 47.057 47.057 45.838 1.219 18612 1952 1 3 . 1 1 123 123 LEU H H 123 6.973 6.973 7.772 -0.799 18612 1953 1 3 . 1 1 124 124 VAL N N 124 119.580 119.580 120.577 -0.997 18612 1954 1 3 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.950 0.086 18612 1955 1 3 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.503 -0.923 18612 1956 1 3 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.768 -1.511 18612 1957 1 3 . 1 1 124 124 VAL H H 124 8.823 8.823 8.485 0.338 18612 1958 1 3 . 1 1 125 125 ALA N N 125 130.810 130.810 125.103 5.707 18612 1959 1 3 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.072 0.084 18612 1960 1 3 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.183 -0.988 18612 1961 1 3 . 1 1 125 125 ALA CB C 125 20.060 20.060 23.106 -3.046 18612 1962 1 3 . 1 1 125 125 ALA H H 125 9.083 9.083 9.227 -0.144 18612 1963 1 3 . 1 1 126 126 ILE N N 126 124.925 124.925 122.409 2.516 18612 1964 1 3 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.690 -0.187 18612 1965 1 3 . 1 1 126 126 ILE CA C 126 60.960 60.960 58.998 1.962 18612 1966 1 3 . 1 1 126 126 ILE CB C 126 39.805 39.805 36.115 3.690 18612 1967 1 3 . 1 1 126 126 ILE H H 126 9.564 9.564 8.501 1.063 18612 1968 1 3 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.188 0.455 18612 1969 1 3 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.924 -1.484 18612 1970 1 3 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.781 2.221 18612 1971 1 3 . 1 1 129 129 GLU N N 129 121.547 121.547 126.031 -4.484 18612 1972 1 3 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.784 0.164 18612 1973 1 3 . 1 1 129 129 GLU CA C 129 60.400 60.400 59.799 0.601 18612 1974 1 3 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.445 0.857 18612 1975 1 3 . 1 1 129 129 GLU H H 129 9.035 9.035 9.495 -0.460 18612 1976 1 3 . 1 1 130 130 GLN N N 130 120.221 120.221 118.999 1.222 18612 1977 1 3 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.085 -0.208 18612 1978 1 3 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.601 -0.181 18612 1979 1 3 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.213 0.187 18612 1980 1 3 . 1 1 130 130 GLN H H 130 8.914 8.914 8.640 0.274 18612 1981 1 3 . 1 1 131 131 GLU N N 131 120.680 120.680 120.467 0.213 18612 1982 1 3 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.104 -0.165 18612 1983 1 3 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.865 2.345 18612 1984 1 3 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.596 -1.426 18612 1985 1 3 . 1 1 131 131 GLU H H 131 8.871 8.871 8.024 0.847 18612 1986 1 3 . 1 1 132 132 LEU N N 132 118.303 118.303 120.630 -2.327 18612 1987 1 3 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.035 0.327 18612 1988 1 3 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.143 -2.027 18612 1989 1 3 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.115 -0.292 18612 1990 1 3 . 1 1 132 132 LEU H H 132 8.152 8.152 8.806 -0.654 18612 1991 1 3 . 1 1 133 133 LYS N N 133 120.924 120.924 118.183 2.741 18612 1992 1 3 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.201 -0.120 18612 1993 1 3 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.853 0.727 18612 1994 1 3 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.692 -0.220 18612 1995 1 3 . 1 1 133 133 LYS H H 133 7.631 7.631 7.687 -0.056 18612 1996 1 3 . 1 1 134 134 ASP N N 134 118.256 118.256 116.590 1.666 18612 1997 1 3 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.635 0.034 18612 1998 1 3 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.334 -0.183 18612 1999 1 3 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.696 -0.315 18612 2000 1 3 . 1 1 134 134 ASP H H 134 7.985 7.985 7.958 0.027 18612 2001 1 3 . 1 1 135 135 GLY N N 135 109.383 109.383 105.841 3.542 18612 2002 1 3 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.176 1.387 18612 2003 1 3 . 1 1 135 135 GLY H H 135 8.019 8.019 8.168 -0.149 18612 2004 1 3 . 1 1 136 136 VAL N N 136 117.112 117.112 117.315 -0.203 18612 2005 1 3 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.980 0.923 18612 2006 1 3 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.405 -1.455 18612 2007 1 3 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.314 2.571 18612 2008 1 3 . 1 1 136 136 VAL H H 136 8.229 8.229 7.587 0.642 18612 2009 1 3 . 1 1 137 137 ILE N N 137 121.971 121.971 121.089 0.882 18612 2010 1 3 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.489 -0.315 18612 2011 1 3 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.210 -1.650 18612 2012 1 3 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.497 1.292 18612 2013 1 3 . 1 1 137 137 ILE H H 137 8.975 8.975 8.096 0.879 18612 2014 1 3 . 1 1 138 138 LYS N N 138 126.613 126.613 126.385 0.228 18612 2015 1 3 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.987 -0.063 18612 2016 1 3 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.709 1.006 18612 2017 1 3 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.344 -1.127 18612 2018 1 3 . 1 1 138 138 LYS H H 138 7.726 7.726 8.081 -0.355 18612 2019 1 3 . 1 1 139 139 LEU N N 139 129.177 129.177 128.170 1.007 18612 2020 1 3 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.540 0.663 18612 2021 1 3 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.096 -0.806 18612 2022 1 3 . 1 1 139 139 LEU CB C 139 44.760 44.760 42.480 2.280 18612 2023 1 3 . 1 1 139 139 LEU H H 139 9.404 9.404 8.289 1.115 18612 2024 1 3 . 1 1 140 140 ARG N N 140 128.243 128.243 126.893 1.350 18612 2025 1 3 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.343 0.919 18612 2026 1 3 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.908 -3.223 18612 2027 1 3 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.604 -2.614 18612 2028 1 3 . 1 1 140 140 ARG H H 140 9.540 9.540 7.763 1.777 18612 2029 1 3 . 1 1 142 142 VAL N N 142 129.670 129.670 123.265 6.405 18612 2030 1 3 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.653 -0.106 18612 2031 1 3 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.342 0.608 18612 2032 1 3 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.240 1.448 18612 2033 1 3 . 1 1 142 142 VAL H H 142 8.336 8.336 7.883 0.453 18612 2034 1 3 . 1 1 143 143 THR N N 143 111.061 111.061 114.262 -3.201 18612 2035 1 3 . 1 1 143 143 THR HA H 143 4.157 4.157 4.142 0.015 18612 2036 1 3 . 1 1 143 143 THR CA C 143 69.400 69.400 64.347 5.053 18612 2037 1 3 . 1 1 143 143 THR CB C 143 70.020 70.020 68.746 1.274 18612 2038 1 3 . 1 1 143 143 THR H H 143 8.248 8.248 7.768 0.480 18612 2039 1 3 . 1 1 144 144 SER N N 144 115.158 115.158 115.872 -0.714 18612 2040 1 3 . 1 1 144 144 SER HA H 144 4.514 4.514 4.349 0.165 18612 2041 1 3 . 1 1 144 144 SER CA C 144 58.370 58.370 60.464 -2.094 18612 2042 1 3 . 1 1 144 144 SER CB C 144 64.500 64.500 63.588 0.912 18612 2043 1 3 . 1 1 144 144 SER H H 144 7.812 7.812 8.254 -0.442 18612 2044 1 3 . 1 1 145 145 ARG N N 145 116.527 116.527 118.392 -1.865 18612 2045 1 3 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.498 -0.672 18612 2046 1 3 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.292 2.008 18612 2047 1 3 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.646 -3.446 18612 2048 1 3 . 1 1 145 145 ARG H H 145 7.836 7.836 7.782 0.054 18612 2049 1 3 . 1 1 146 146 GLU N N 146 119.889 119.889 115.568 4.321 18612 2050 1 3 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.367 -0.098 18612 2051 1 3 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.264 -0.334 18612 2052 1 3 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.212 0.426 18612 2053 1 3 . 1 1 146 146 GLU H H 146 7.675 7.675 8.558 -0.883 18612 2054 1 3 . 1 1 147 147 GLU N N 147 124.286 124.286 119.217 5.069 18612 2055 1 3 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.455 0.864 18612 2056 1 3 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.479 -0.544 18612 2057 1 3 . 1 1 147 147 GLU CB C 147 33.740 33.740 31.751 1.989 18612 2058 1 3 . 1 1 147 147 GLU H H 147 8.602 8.602 8.249 0.353 18612 2059 1 3 . 1 1 148 148 VAL N N 148 120.587 120.587 125.241 -4.654 18612 2060 1 3 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.360 0.174 18612 2061 1 3 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.499 -0.839 18612 2062 1 3 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.750 -0.060 18612 2063 1 3 . 1 1 148 148 VAL H H 148 8.536 8.536 7.925 0.611 18612 2064 1 3 . 1 1 149 149 ASP N N 149 125.031 125.031 124.254 0.777 18612 2065 1 3 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.877 0.277 18612 2066 1 3 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.112 -0.199 18612 2067 1 3 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.626 -0.845 18612 2068 1 3 . 1 1 149 149 ASP H H 149 8.411 8.411 8.388 0.023 18612 2069 1 3 . 1 1 150 150 VAL N N 150 123.264 123.264 119.470 3.794 18612 2070 1 3 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.647 -0.247 18612 2071 1 3 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.099 0.541 18612 2072 1 3 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.960 -0.935 18612 2073 1 3 . 1 1 150 150 VAL H H 150 9.061 9.061 8.659 0.402 18612 2074 1 3 . 1 1 151 151 ARG N N 151 125.112 125.112 121.016 4.096 18612 2075 1 3 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.520 -0.112 18612 2076 1 3 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.032 2.078 18612 2077 1 3 . 1 1 151 151 ARG CB C 151 29.890 29.890 29.548 0.342 18612 2078 1 3 . 1 1 151 151 ARG H H 151 9.048 9.048 8.770 0.278 18612 2079 1 3 . 1 1 152 152 ARG N N 152 124.828 124.828 119.881 4.947 18612 2080 1 3 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.824 -0.158 18612 2081 1 3 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.817 0.213 18612 2082 1 3 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.432 1.578 18612 2083 1 3 . 1 1 152 152 ARG H H 152 8.582 8.582 8.441 0.141 18612 2084 1 3 . 1 1 153 153 GLU N N 153 116.730 116.730 118.885 -2.155 18612 2085 1 3 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.151 0.049 18612 2086 1 3 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.333 -0.363 18612 2087 1 3 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.457 -0.877 18612 2088 1 3 . 1 1 153 153 GLU H H 153 9.924 9.924 8.513 1.411 18612 2089 1 3 . 1 1 154 154 ASP N N 154 119.318 119.318 119.102 0.216 18612 2090 1 3 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.592 0.426 18612 2091 1 3 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.255 -2.863 18612 2092 1 3 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.384 1.906 18612 2093 1 3 . 1 1 154 154 ASP H H 154 7.758 7.758 8.628 -0.870 18612 2094 1 3 . 1 1 155 155 LEU N N 155 121.863 121.863 117.562 4.301 18612 2095 1 3 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.573 -0.758 18612 2096 1 3 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.414 1.756 18612 2097 1 3 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.755 0.873 18612 2098 1 3 . 1 1 155 155 LEU H H 155 7.315 7.315 7.590 -0.275 18612 2099 1 3 . 1 1 156 156 VAL N N 156 118.555 118.555 120.376 -1.821 18612 2100 1 3 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.691 -0.436 18612 2101 1 3 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.298 1.362 18612 2102 1 3 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.293 -0.063 18612 2103 1 3 . 1 1 156 156 VAL H H 156 8.490 8.490 7.789 0.701 18612 2104 1 3 . 1 1 157 157 GLU N N 157 118.568 118.568 119.583 -1.015 18612 2105 1 3 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.060 -0.150 18612 2106 1 3 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.482 -0.062 18612 2107 1 3 . 1 1 157 157 GLU H H 157 8.138 8.138 8.705 -0.567 18612 2108 1 3 . 1 1 158 158 GLU N N 158 118.484 118.484 120.163 -1.679 18612 2109 1 3 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.083 0.057 18612 2110 1 3 . 1 1 158 158 GLU CA C 158 57.290 57.290 58.862 -1.572 18612 2111 1 3 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.398 0.076 18612 2112 1 3 . 1 1 158 158 GLU H H 158 8.138 8.138 8.004 0.134 18612 2113 1 3 . 1 1 159 159 ILE N N 159 119.508 119.508 117.280 2.228 18612 2114 1 3 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.742 -0.314 18612 2115 1 3 . 1 1 159 159 ILE CA C 159 65.890 65.890 64.492 1.398 18612 2116 1 3 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.668 -7.668 18612 2117 1 3 . 1 1 159 159 ILE H H 159 8.482 8.482 7.882 0.600 18612 2118 1 3 . 1 1 160 160 LYS N N 160 121.513 121.513 120.404 1.109 18612 2119 1 3 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.003 -0.225 18612 2120 1 3 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.586 1.264 18612 2121 1 3 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.176 0.074 18612 2122 1 3 . 1 1 160 160 LYS H H 160 8.424 8.424 7.831 0.593 18612 2123 1 3 . 1 1 161 161 ARG N N 161 118.966 118.966 118.327 0.639 18612 2124 1 3 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.108 -0.039 18612 2125 1 3 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.960 0.370 18612 2126 1 3 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.410 0.482 18612 2127 1 3 . 1 1 161 161 ARG H H 161 8.248 8.248 7.798 0.450 18612 2128 1 3 . 1 1 162 162 ARG N N 162 117.033 117.033 117.985 -0.952 18612 2129 1 3 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.171 0.071 18612 2130 1 3 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.049 0.009 18612 2131 1 3 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.058 1.732 18612 2132 1 3 . 1 1 162 162 ARG H H 162 7.811 7.811 7.997 -0.186 18612 2133 1 3 . 1 1 163 163 THR N N 163 108.588 108.588 114.182 -5.594 18612 2134 1 3 . 1 1 163 163 THR HA H 163 4.549 4.549 4.419 0.130 18612 2135 1 3 . 1 1 163 163 THR CA C 163 61.820 61.820 62.295 -0.475 18612 2136 1 3 . 1 1 163 163 THR CB C 163 70.020 70.020 68.602 1.418 18612 2137 1 3 . 1 1 163 163 THR H H 163 7.831 7.831 7.549 0.282 18612 2138 1 3 . 1 1 164 164 GLY N N 164 110.640 110.640 110.053 0.587 18612 2139 1 3 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.708 1.006 18612 2140 1 3 . 1 1 164 164 GLY H H 164 7.847 7.847 7.391 0.456 18612 2141 1 3 . 1 1 165 165 GLN N N 165 120.993 120.993 120.233 0.760 18612 2142 1 3 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.658 -0.716 18612 2143 1 3 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.650 2.428 18612 2144 1 3 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.570 -0.001 18612 2145 1 3 . 1 1 165 165 GLN H H 165 8.141 8.141 8.424 -0.283 18612 2146 1 3 . 1 1 167 167 LEU N N 167 122.540 122.540 125.202 -2.662 18612 2147 1 3 . 1 1 167 167 LEU H H 167 8.370 8.370 8.486 -0.116 18612 2148 1 3 . 1 1 168 168 SER N N 168 116.635 116.635 120.199 -3.564 18612 2149 1 3 . 1 1 168 168 SER H H 168 8.269 8.269 8.514 -0.245 18612 2150 1 3 . 1 1 169 169 ILE N N 169 122.767 122.767 120.769 1.998 18612 2151 1 3 . 1 1 169 169 ILE H H 169 8.165 8.165 8.645 -0.480 18612 2152 1 4 . 1 1 2 2 GLU N N 2 120.329 120.329 119.755 0.574 18612 2153 1 4 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.364 -0.222 18612 2154 1 4 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.841 2.229 18612 2155 1 4 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.879 -1.379 18612 2156 1 4 . 1 1 2 2 GLU H H 2 8.498 8.498 8.702 -0.204 18612 2157 1 4 . 1 1 3 3 ARG N N 3 121.547 121.547 121.557 -0.010 18612 2158 1 4 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.975 0.049 18612 2159 1 4 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.542 -0.302 18612 2160 1 4 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.753 0.197 18612 2161 1 4 . 1 1 3 3 ARG H H 3 8.238 8.238 8.555 -0.317 18612 2162 1 4 . 1 1 4 4 ALA N N 4 121.449 121.449 120.764 0.685 18612 2163 1 4 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.135 0.068 18612 2164 1 4 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.206 -0.167 18612 2165 1 4 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.119 -0.209 18612 2166 1 4 . 1 1 4 4 ALA H H 4 8.068 8.068 8.460 -0.392 18612 2167 1 4 . 1 1 5 5 ALA N N 5 121.000 121.000 121.510 -0.510 18612 2168 1 4 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.230 -0.012 18612 2169 1 4 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.816 -0.072 18612 2170 1 4 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.133 0.277 18612 2171 1 4 . 1 1 5 5 ALA H H 5 7.831 7.831 7.562 0.269 18612 2172 1 4 . 1 1 6 6 LEU N N 6 121.402 121.402 119.453 1.949 18612 2173 1 4 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.946 0.215 18612 2174 1 4 . 1 1 6 6 LEU CA C 6 57.950 57.950 57.743 0.207 18612 2175 1 4 . 1 1 6 6 LEU CB C 6 42.041 42.041 40.440 1.601 18612 2176 1 4 . 1 1 6 6 LEU H H 6 7.919 7.919 7.855 0.064 18612 2177 1 4 . 1 1 7 7 GLU N N 7 119.203 119.203 119.243 -0.040 18612 2178 1 4 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.900 -0.042 18612 2179 1 4 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.190 0.041 18612 2180 1 4 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.575 -0.034 18612 2181 1 4 . 1 1 7 7 GLU H H 7 8.706 8.706 8.584 0.122 18612 2182 1 4 . 1 1 8 8 GLU N N 8 120.194 120.194 119.167 1.027 18612 2183 1 4 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.077 0.118 18612 2184 1 4 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.990 0.180 18612 2185 1 4 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.279 0.181 18612 2186 1 4 . 1 1 8 8 GLU H H 8 7.761 7.761 7.907 -0.146 18612 2187 1 4 . 1 1 9 9 LEU N N 9 120.526 120.526 121.178 -0.652 18612 2188 1 4 . 1 1 9 9 LEU HA H 9 4.164 4.164 3.952 0.212 18612 2189 1 4 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.096 0.024 18612 2190 1 4 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.024 -0.236 18612 2191 1 4 . 1 1 9 9 LEU H H 9 7.913 7.913 8.226 -0.313 18612 2192 1 4 . 1 1 10 10 VAL N N 10 120.804 120.804 119.016 1.788 18612 2193 1 4 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.532 -0.075 18612 2194 1 4 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.543 0.487 18612 2195 1 4 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.722 1.325 18612 2196 1 4 . 1 1 10 10 VAL H H 10 8.570 8.570 8.533 0.037 18612 2197 1 4 . 1 1 11 11 LYS N N 11 123.175 123.175 120.304 2.871 18612 2198 1 4 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.979 0.065 18612 2199 1 4 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.971 -0.101 18612 2200 1 4 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.243 0.149 18612 2201 1 4 . 1 1 11 11 LYS H H 11 7.909 7.909 7.618 0.291 18612 2202 1 4 . 1 1 12 12 LEU N N 12 120.772 120.772 118.064 2.708 18612 2203 1 4 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.120 -0.014 18612 2204 1 4 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.174 0.746 18612 2205 1 4 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.468 0.369 18612 2206 1 4 . 1 1 12 12 LEU H H 12 8.436 8.436 7.926 0.510 18612 2207 1 4 . 1 1 13 13 GLN N N 13 121.677 121.677 119.485 2.192 18612 2208 1 4 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.043 0.291 18612 2209 1 4 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.690 -2.290 18612 2210 1 4 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.568 -2.048 18612 2211 1 4 . 1 1 13 13 GLN H H 13 8.710 8.710 8.320 0.390 18612 2212 1 4 . 1 1 14 14 GLY N N 14 109.543 109.543 107.671 1.872 18612 2213 1 4 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.145 0.418 18612 2214 1 4 . 1 1 14 14 GLY H H 14 8.714 8.714 8.773 -0.059 18612 2215 1 4 . 1 1 15 15 GLU N N 15 123.144 123.144 121.487 1.657 18612 2216 1 4 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.012 0.136 18612 2217 1 4 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.309 -0.339 18612 2218 1 4 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.527 -0.067 18612 2219 1 4 . 1 1 15 15 GLU H H 15 7.913 7.913 7.944 -0.031 18612 2220 1 4 . 1 1 16 16 ARG N N 16 123.135 123.135 120.331 2.804 18612 2221 1 4 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.122 0.016 18612 2222 1 4 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.363 -0.393 18612 2223 1 4 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.417 -1.017 18612 2224 1 4 . 1 1 16 16 ARG H H 16 8.104 8.104 7.684 0.420 18612 2225 1 4 . 1 1 17 17 VAL N N 17 119.501 119.501 119.872 -0.371 18612 2226 1 4 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.520 -0.107 18612 2227 1 4 . 1 1 17 17 VAL CA C 17 67.450 67.450 67.839 -0.389 18612 2228 1 4 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.621 0.437 18612 2229 1 4 . 1 1 17 17 VAL H H 17 8.192 8.192 8.609 -0.417 18612 2230 1 4 . 1 1 18 18 ARG N N 18 119.372 119.372 119.502 -0.130 18612 2231 1 4 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.080 -0.146 18612 2232 1 4 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.639 0.421 18612 2233 1 4 . 1 1 18 18 ARG CB C 18 30.272 30.272 30.022 0.250 18612 2234 1 4 . 1 1 18 18 ARG H H 18 7.980 7.980 8.159 -0.179 18612 2235 1 4 . 1 1 19 19 GLY N N 19 107.241 107.241 107.181 0.060 18612 2236 1 4 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.980 0.382 18612 2237 1 4 . 1 1 19 19 GLY H H 19 8.362 8.362 7.958 0.404 18612 2238 1 4 . 1 1 20 20 LEU N N 20 122.627 122.627 121.001 1.626 18612 2239 1 4 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.258 -0.209 18612 2240 1 4 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.343 0.547 18612 2241 1 4 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.799 0.621 18612 2242 1 4 . 1 1 20 20 LEU H H 20 8.049 8.049 8.542 -0.493 18612 2243 1 4 . 1 1 21 21 LYS N N 21 118.255 118.255 120.525 -2.270 18612 2244 1 4 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.858 0.200 18612 2245 1 4 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.736 0.274 18612 2246 1 4 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.157 0.437 18612 2247 1 4 . 1 1 21 21 LYS H H 21 8.123 8.123 8.353 -0.230 18612 2248 1 4 . 1 1 22 22 GLN N N 22 121.183 121.183 117.713 3.470 18612 2249 1 4 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.211 -0.124 18612 2250 1 4 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.392 0.368 18612 2251 1 4 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.041 -0.441 18612 2252 1 4 . 1 1 22 22 GLN H H 22 8.234 8.234 7.698 0.536 18612 2253 1 4 . 1 1 23 23 GLN N N 23 116.219 116.219 117.129 -0.910 18612 2254 1 4 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.283 -0.020 18612 2255 1 4 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.169 -1.492 18612 2256 1 4 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.958 -0.688 18612 2257 1 4 . 1 1 23 23 GLN H H 23 7.820 7.820 7.796 0.024 18612 2258 1 4 . 1 1 24 24 LYS N N 24 117.349 117.349 114.960 2.389 18612 2259 1 4 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.541 -0.629 18612 2260 1 4 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.487 1.542 18612 2261 1 4 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.764 -4.914 18612 2262 1 4 . 1 1 24 24 LYS H H 24 7.884 7.884 8.110 -0.226 18612 2263 1 4 . 1 1 25 25 ALA N N 25 119.909 119.909 125.215 -5.306 18612 2264 1 4 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.160 0.119 18612 2265 1 4 . 1 1 25 25 ALA CA C 25 52.020 52.020 54.016 -1.996 18612 2266 1 4 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.921 3.399 18612 2267 1 4 . 1 1 25 25 ALA H H 25 7.620 7.620 7.963 -0.343 18612 2268 1 4 . 1 1 26 26 SER N N 26 113.188 113.188 111.675 1.513 18612 2269 1 4 . 1 1 26 26 SER HA H 26 4.244 4.244 4.311 -0.067 18612 2270 1 4 . 1 1 26 26 SER CA C 26 58.390 58.390 57.727 0.663 18612 2271 1 4 . 1 1 26 26 SER CB C 26 63.830 63.830 62.015 1.815 18612 2272 1 4 . 1 1 26 26 SER H H 26 8.228 8.228 8.483 -0.255 18612 2273 1 4 . 1 1 27 27 ALA N N 27 127.550 127.550 124.763 2.787 18612 2274 1 4 . 1 1 27 27 ALA HA H 27 3.984 3.984 4.041 -0.057 18612 2275 1 4 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.775 0.807 18612 2276 1 4 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.591 0.179 18612 2277 1 4 . 1 1 27 27 ALA H H 27 8.769 8.769 8.572 0.197 18612 2278 1 4 . 1 1 28 28 GLU N N 28 117.317 117.317 118.372 -1.055 18612 2279 1 4 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.108 -0.034 18612 2280 1 4 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.661 0.039 18612 2281 1 4 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.308 -0.228 18612 2282 1 4 . 1 1 28 28 GLU H H 28 8.830 8.830 8.750 0.080 18612 2283 1 4 . 1 1 29 29 LEU N N 29 122.971 122.971 120.577 2.394 18612 2284 1 4 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.137 0.174 18612 2285 1 4 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.794 -0.224 18612 2286 1 4 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.752 -0.146 18612 2287 1 4 . 1 1 29 29 LEU H H 29 7.401 7.401 7.833 -0.432 18612 2288 1 4 . 1 1 30 30 ILE N N 30 118.784 118.784 120.534 -1.750 18612 2289 1 4 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.563 -0.166 18612 2290 1 4 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.470 0.840 18612 2291 1 4 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.553 0.270 18612 2292 1 4 . 1 1 30 30 ILE H H 30 8.019 8.019 9.113 -1.094 18612 2293 1 4 . 1 1 31 31 GLU N N 31 118.215 118.215 118.883 -0.668 18612 2294 1 4 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.888 0.080 18612 2295 1 4 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.877 -0.037 18612 2296 1 4 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.297 0.143 18612 2297 1 4 . 1 1 31 31 GLU H H 31 8.367 8.367 8.401 -0.034 18612 2298 1 4 . 1 1 32 32 GLU N N 32 120.284 120.284 120.034 0.250 18612 2299 1 4 . 1 1 32 32 GLU HA H 32 4.154 4.154 3.976 0.178 18612 2300 1 4 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.582 -0.202 18612 2301 1 4 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.632 0.208 18612 2302 1 4 . 1 1 32 32 GLU H H 32 7.667 7.667 7.850 -0.183 18612 2303 1 4 . 1 1 33 33 GLU N N 33 120.010 120.010 119.362 0.648 18612 2304 1 4 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.046 0.172 18612 2305 1 4 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.128 -0.748 18612 2306 1 4 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.706 -1.526 18612 2307 1 4 . 1 1 33 33 GLU H H 33 8.156 8.156 8.370 -0.214 18612 2308 1 4 . 1 1 34 34 VAL N N 34 125.322 125.322 120.261 5.061 18612 2309 1 4 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.655 -0.013 18612 2310 1 4 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.423 0.427 18612 2311 1 4 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.189 0.651 18612 2312 1 4 . 1 1 34 34 VAL H H 34 9.243 9.243 8.141 1.102 18612 2313 1 4 . 1 1 35 35 ALA N N 35 123.214 123.214 121.792 1.422 18612 2314 1 4 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.910 0.188 18612 2315 1 4 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.525 0.217 18612 2316 1 4 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.226 -0.976 18612 2317 1 4 . 1 1 35 35 ALA H H 35 8.160 8.160 8.309 -0.149 18612 2318 1 4 . 1 1 36 36 LYS N N 36 117.979 117.979 117.751 0.228 18612 2319 1 4 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.022 -0.027 18612 2320 1 4 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.372 0.428 18612 2321 1 4 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.229 0.633 18612 2322 1 4 . 1 1 36 36 LYS H H 36 7.607 7.607 7.760 -0.153 18612 2323 1 4 . 1 1 37 37 LEU N N 37 120.957 120.957 121.240 -0.283 18612 2324 1 4 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.214 -0.211 18612 2325 1 4 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.455 1.055 18612 2326 1 4 . 1 1 37 37 LEU CB C 37 42.030 42.030 42.094 -0.064 18612 2327 1 4 . 1 1 37 37 LEU H H 37 7.762 7.762 7.639 0.123 18612 2328 1 4 . 1 1 38 38 LEU N N 38 118.910 118.910 119.356 -0.446 18612 2329 1 4 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.830 0.146 18612 2330 1 4 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.156 0.114 18612 2331 1 4 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.381 -0.423 18612 2332 1 4 . 1 1 38 38 LEU H H 38 8.636 8.636 7.782 0.854 18612 2333 1 4 . 1 1 39 39 LYS N N 39 120.804 120.804 118.745 2.059 18612 2334 1 4 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.994 0.086 18612 2335 1 4 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.050 0.401 18612 2336 1 4 . 1 1 39 39 LYS CB C 39 32.658 32.658 31.812 0.846 18612 2337 1 4 . 1 1 39 39 LYS H H 39 7.864 7.864 7.728 0.136 18612 2338 1 4 . 1 1 40 40 LEU N N 40 120.940 120.940 121.217 -0.277 18612 2339 1 4 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.925 0.185 18612 2340 1 4 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.230 -0.290 18612 2341 1 4 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.731 1.355 18612 2342 1 4 . 1 1 40 40 LEU H H 40 7.831 7.831 8.021 -0.190 18612 2343 1 4 . 1 1 41 41 LYS N N 41 117.563 117.563 118.051 -0.488 18612 2344 1 4 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.905 -0.055 18612 2345 1 4 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.502 0.578 18612 2346 1 4 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.753 0.750 18612 2347 1 4 . 1 1 41 41 LYS H H 41 8.493 8.493 8.047 0.446 18612 2348 1 4 . 1 1 42 42 ALA N N 42 121.396 121.396 121.634 -0.238 18612 2349 1 4 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.129 0.060 18612 2350 1 4 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.338 -0.058 18612 2351 1 4 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.449 -0.549 18612 2352 1 4 . 1 1 42 42 ALA H H 42 7.918 7.918 7.649 0.269 18612 2353 1 4 . 1 1 43 43 GLN N N 43 116.883 116.883 117.771 -0.888 18612 2354 1 4 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.092 0.044 18612 2355 1 4 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.849 -1.439 18612 2356 1 4 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.020 0.560 18612 2357 1 4 . 1 1 43 43 GLN H H 43 7.591 7.591 7.890 -0.299 18612 2358 1 4 . 1 1 44 44 LEU N N 44 119.828 119.828 114.539 5.289 18612 2359 1 4 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.170 0.038 18612 2360 1 4 . 1 1 44 44 LEU CA C 44 56.077 56.077 57.189 -1.112 18612 2361 1 4 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.682 0.744 18612 2362 1 4 . 1 1 44 44 LEU H H 44 7.574 7.574 7.603 -0.029 18612 2363 1 4 . 1 1 45 45 GLY N N 45 106.906 106.906 106.283 0.623 18612 2364 1 4 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.635 0.889 18612 2365 1 4 . 1 1 45 45 GLY H H 45 7.687 7.687 7.566 0.121 18612 2366 1 4 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.651 -0.204 18612 2367 1 4 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.162 0.948 18612 2368 1 4 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.956 -0.526 18612 2369 1 4 . 1 1 47 47 ASP N N 47 121.060 121.060 121.016 0.044 18612 2370 1 4 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.742 -0.164 18612 2371 1 4 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.542 0.940 18612 2372 1 4 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.051 -0.048 18612 2373 1 4 . 1 1 47 47 ASP H H 47 8.446 8.446 8.452 -0.006 18612 2374 1 4 . 1 1 48 48 GLU N N 48 123.347 123.347 123.620 -0.273 18612 2375 1 4 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.367 -0.123 18612 2376 1 4 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.255 -0.325 18612 2377 1 4 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.080 0.467 18612 2378 1 4 . 1 1 48 48 GLU H H 48 8.577 8.577 8.721 -0.144 18612 2379 1 4 . 1 1 49 49 SER N N 49 116.751 116.751 115.641 1.110 18612 2380 1 4 . 1 1 49 49 SER HA H 49 4.349 4.349 4.249 0.100 18612 2381 1 4 . 1 1 49 49 SER CA C 49 59.380 59.380 59.640 -0.260 18612 2382 1 4 . 1 1 49 49 SER CB C 49 63.460 63.460 63.487 -0.027 18612 2383 1 4 . 1 1 49 49 SER H H 49 8.399 8.399 8.183 0.216 18612 2384 1 4 . 1 1 50 50 LYS N N 50 121.935 121.935 122.720 -0.785 18612 2385 1 4 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.188 0.253 18612 2386 1 4 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.562 -1.042 18612 2387 1 4 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.901 -2.446 18612 2388 1 4 . 1 1 50 50 LYS H H 50 8.058 8.058 7.683 0.375 18612 2389 1 4 . 1 1 51 51 GLN N N 51 122.155 122.155 123.157 -1.002 18612 2390 1 4 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.264 -0.061 18612 2391 1 4 . 1 1 51 51 GLN CA C 51 57.209 57.209 55.787 1.422 18612 2392 1 4 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.253 1.535 18612 2393 1 4 . 1 1 51 51 GLN H H 51 8.273 8.273 8.131 0.142 18612 2394 1 4 . 1 1 52 52 LYS N N 52 122.761 122.761 122.839 -0.078 18612 2395 1 4 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.355 -0.040 18612 2396 1 4 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.838 0.642 18612 2397 1 4 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.918 0.004 18612 2398 1 4 . 1 1 52 52 LYS H H 52 8.251 8.251 8.108 0.143 18612 2399 1 4 . 1 1 53 53 PHE N N 53 121.326 121.326 118.746 2.580 18612 2400 1 4 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.717 -0.073 18612 2401 1 4 . 1 1 53 53 PHE CA C 53 57.640 57.640 55.852 1.788 18612 2402 1 4 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.307 1.281 18612 2403 1 4 . 1 1 53 53 PHE H H 53 8.153 8.153 6.955 1.198 18612 2404 1 4 . 1 1 54 54 VAL N N 54 122.941 122.941 122.037 0.904 18612 2405 1 4 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.352 -0.309 18612 2406 1 4 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.700 0.280 18612 2407 1 4 . 1 1 54 54 VAL CB C 54 33.181 33.181 33.148 0.033 18612 2408 1 4 . 1 1 54 54 VAL H H 54 7.960 7.960 7.531 0.429 18612 2409 1 4 . 1 1 55 55 LEU N N 55 126.751 126.751 129.590 -2.839 18612 2410 1 4 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.478 -0.165 18612 2411 1 4 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.988 0.072 18612 2412 1 4 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.212 0.103 18612 2413 1 4 . 1 1 55 55 LEU H H 55 8.226 8.226 8.352 -0.126 18612 2414 1 4 . 1 1 56 56 LYS N N 56 123.614 123.614 120.813 2.801 18612 2415 1 4 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.640 -0.268 18612 2416 1 4 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.661 0.251 18612 2417 1 4 . 1 1 56 56 LYS CB C 56 33.191 33.191 34.676 -1.485 18612 2418 1 4 . 1 1 56 56 LYS H H 56 8.320 8.320 8.399 -0.079 18612 2419 1 4 . 1 1 57 57 THR N N 57 115.794 115.794 118.289 -2.495 18612 2420 1 4 . 1 1 57 57 THR HA H 57 4.349 4.349 4.707 -0.358 18612 2421 1 4 . 1 1 57 57 THR CA C 57 58.960 58.960 60.385 -1.425 18612 2422 1 4 . 1 1 57 57 THR CB C 57 70.740 70.740 69.622 1.118 18612 2423 1 4 . 1 1 57 57 THR H H 57 7.892 7.892 8.410 -0.518 18612 2424 1 4 . 1 1 59 59 LYS N N 59 121.755 121.755 123.600 -1.845 18612 2425 1 4 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.520 -0.293 18612 2426 1 4 . 1 1 59 59 LYS CA C 59 56.520 56.520 57.053 -0.533 18612 2427 1 4 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.551 -0.457 18612 2428 1 4 . 1 1 59 59 LYS H H 59 8.300 8.300 8.396 -0.096 18612 2429 1 4 . 1 1 60 60 ALA N N 60 125.263 125.263 126.603 -1.340 18612 2430 1 4 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.557 -0.279 18612 2431 1 4 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.666 0.198 18612 2432 1 4 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.357 -0.377 18612 2433 1 4 . 1 1 60 60 ALA H H 60 8.290 8.290 8.280 0.010 18612 2434 1 4 . 1 1 61 61 LEU N N 61 121.255 121.255 122.729 -1.474 18612 2435 1 4 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.588 -0.308 18612 2436 1 4 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.624 0.961 18612 2437 1 4 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.521 -0.276 18612 2438 1 4 . 1 1 61 61 LEU H H 61 8.144 8.144 7.839 0.305 18612 2439 1 4 . 1 1 62 62 GLU N N 62 121.401 121.401 122.854 -1.453 18612 2440 1 4 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.460 -0.184 18612 2441 1 4 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.872 1.058 18612 2442 1 4 . 1 1 62 62 GLU CB C 62 30.235 30.235 32.855 -2.619 18612 2443 1 4 . 1 1 62 62 GLU H H 62 8.266 8.266 8.524 -0.258 18612 2444 1 4 . 1 1 64 64 LYS N N 64 120.575 120.575 121.379 -0.804 18612 2445 1 4 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.078 0.166 18612 2446 1 4 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.886 -0.801 18612 2447 1 4 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.658 -3.188 18612 2448 1 4 . 1 1 64 64 LYS H H 64 8.106 8.106 8.608 -0.502 18612 2449 1 4 . 1 1 65 65 ILE N N 65 122.492 122.492 118.430 4.062 18612 2450 1 4 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.472 -0.332 18612 2451 1 4 . 1 1 65 65 ILE CA C 65 61.180 61.180 59.855 1.325 18612 2452 1 4 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.063 -0.513 18612 2453 1 4 . 1 1 65 65 ILE H H 65 8.135 8.135 8.212 -0.077 18612 2454 1 4 . 1 1 66 66 ARG N N 66 125.714 125.714 124.797 0.917 18612 2455 1 4 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.676 -0.208 18612 2456 1 4 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.654 0.413 18612 2457 1 4 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.021 1.005 18612 2458 1 4 . 1 1 66 66 ARG H H 66 8.402 8.402 8.559 -0.157 18612 2459 1 4 . 1 1 67 67 THR N N 67 115.622 115.622 112.723 2.899 18612 2460 1 4 . 1 1 67 67 THR HA H 67 4.445 4.445 4.610 -0.165 18612 2461 1 4 . 1 1 67 67 THR CA C 67 61.650 61.650 61.881 -0.231 18612 2462 1 4 . 1 1 67 67 THR CB C 67 69.620 69.620 69.922 -0.302 18612 2463 1 4 . 1 1 67 67 THR H H 67 8.281 8.281 7.770 0.511 18612 2464 1 4 . 1 1 68 68 THR N N 68 116.774 116.774 121.525 -4.751 18612 2465 1 4 . 1 1 68 68 THR HA H 68 4.503 4.503 4.499 0.004 18612 2466 1 4 . 1 1 68 68 THR CA C 68 61.050 61.050 63.411 -2.361 18612 2467 1 4 . 1 1 68 68 THR CB C 68 69.210 69.210 69.232 -0.022 18612 2468 1 4 . 1 1 68 68 THR H H 68 8.076 8.076 8.114 -0.038 18612 2469 1 4 . 1 1 69 69 GLU N N 69 124.048 124.048 123.593 0.455 18612 2470 1 4 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.459 -0.083 18612 2471 1 4 . 1 1 69 69 GLU CA C 69 56.400 56.400 55.312 1.087 18612 2472 1 4 . 1 1 69 69 GLU CB C 69 30.618 30.618 29.431 1.187 18612 2473 1 4 . 1 1 69 69 GLU H H 69 8.515 8.515 8.139 0.376 18612 2474 1 4 . 1 1 70 70 THR N N 70 118.988 118.988 115.842 3.146 18612 2475 1 4 . 1 1 70 70 THR HA H 70 3.741 3.741 4.303 -0.562 18612 2476 1 4 . 1 1 70 70 THR CA C 70 64.680 64.680 62.497 2.183 18612 2477 1 4 . 1 1 70 70 THR CB C 70 68.770 68.770 69.434 -0.664 18612 2478 1 4 . 1 1 70 70 THR H H 70 8.259 8.259 8.178 0.081 18612 2479 1 4 . 1 1 71 71 GLN N N 71 125.858 125.858 126.661 -0.803 18612 2480 1 4 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.492 -0.198 18612 2481 1 4 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.854 0.546 18612 2482 1 4 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.089 1.982 18612 2483 1 4 . 1 1 71 71 GLN H H 71 8.795 8.795 8.801 -0.006 18612 2484 1 4 . 1 1 72 72 VAL N N 72 113.505 113.505 109.499 4.006 18612 2485 1 4 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.106 -0.208 18612 2486 1 4 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.226 -0.606 18612 2487 1 4 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.398 0.006 18612 2488 1 4 . 1 1 72 72 VAL H H 72 7.325 7.325 7.280 0.045 18612 2489 1 4 . 1 1 73 73 LEU N N 73 128.725 128.725 121.360 7.365 18612 2490 1 4 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.965 0.127 18612 2491 1 4 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.379 -0.638 18612 2492 1 4 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.634 -1.553 18612 2493 1 4 . 1 1 73 73 LEU H H 73 8.170 8.170 8.429 -0.259 18612 2494 1 4 . 1 1 74 74 VAL N N 74 127.634 127.634 120.528 7.106 18612 2495 1 4 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.395 0.371 18612 2496 1 4 . 1 1 74 74 VAL CA C 74 62.090 62.090 59.983 2.107 18612 2497 1 4 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.025 -0.335 18612 2498 1 4 . 1 1 74 74 VAL H H 74 8.913 8.913 7.713 1.200 18612 2499 1 4 . 1 1 75 75 ALA N N 75 132.602 132.602 128.384 4.218 18612 2500 1 4 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.815 -0.008 18612 2501 1 4 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.714 0.186 18612 2502 1 4 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.726 1.194 18612 2503 1 4 . 1 1 75 75 ALA H H 75 9.421 9.421 8.779 0.642 18612 2504 1 4 . 1 1 76 76 SER N N 76 111.274 111.274 116.214 -4.940 18612 2505 1 4 . 1 1 76 76 SER HA H 76 4.951 4.951 5.147 -0.196 18612 2506 1 4 . 1 1 76 76 SER CA C 76 56.940 56.940 56.720 0.220 18612 2507 1 4 . 1 1 76 76 SER CB C 76 65.960 65.960 64.978 0.982 18612 2508 1 4 . 1 1 76 76 SER H H 76 8.106 8.106 8.553 -0.447 18612 2509 1 4 . 1 1 77 77 ALA N N 77 125.393 125.393 131.131 -5.738 18612 2510 1 4 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.669 -0.208 18612 2511 1 4 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.496 1.258 18612 2512 1 4 . 1 1 77 77 ALA CB C 77 19.740 19.740 18.176 1.564 18612 2513 1 4 . 1 1 77 77 ALA H H 77 9.004 9.004 8.925 0.079 18612 2514 1 4 . 1 1 78 78 GLN N N 78 116.290 116.290 119.043 -2.753 18612 2515 1 4 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.198 0.245 18612 2516 1 4 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.997 0.633 18612 2517 1 4 . 1 1 78 78 GLN CB C 78 30.553 30.553 30.049 0.504 18612 2518 1 4 . 1 1 78 78 GLN H H 78 7.985 7.985 8.373 -0.388 18612 2519 1 4 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.631 -0.068 18612 2520 1 4 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.066 -7.066 18612 2521 1 4 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.732 -1.711 18612 2522 1 4 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.319 0.479 18612 2523 1 4 . 1 1 83 83 GLU HA H 83 3.906 3.906 3.909 -0.003 18612 2524 1 4 . 1 1 85 85 ARG N N 85 119.948 119.948 119.571 0.377 18612 2525 1 4 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.068 -0.197 18612 2526 1 4 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.112 1.568 18612 2527 1 4 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.861 2.060 18612 2528 1 4 . 1 1 85 85 ARG H H 85 8.229 8.229 8.061 0.168 18612 2529 1 4 . 1 1 86 86 LEU N N 86 120.227 120.227 120.396 -0.169 18612 2530 1 4 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.922 -0.096 18612 2531 1 4 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.471 -0.281 18612 2532 1 4 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.655 -0.067 18612 2533 1 4 . 1 1 86 86 LEU H H 86 8.459 8.459 8.447 0.012 18612 2534 1 4 . 1 1 87 87 LYS N N 87 120.470 120.470 119.400 1.070 18612 2535 1 4 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.937 0.084 18612 2536 1 4 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.772 -0.392 18612 2537 1 4 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.173 0.725 18612 2538 1 4 . 1 1 87 87 LYS H H 87 7.945 7.945 8.116 -0.171 18612 2539 1 4 . 1 1 88 88 LEU N N 88 119.799 119.799 120.354 -0.555 18612 2540 1 4 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.004 0.203 18612 2541 1 4 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.943 -0.263 18612 2542 1 4 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.237 -1.012 18612 2543 1 4 . 1 1 88 88 LEU H H 88 7.547 7.547 7.720 -0.173 18612 2544 1 4 . 1 1 89 89 VAL N N 89 118.828 118.828 118.357 0.471 18612 2545 1 4 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.429 -0.111 18612 2546 1 4 . 1 1 89 89 VAL CA C 89 67.750 67.750 67.060 0.690 18612 2547 1 4 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.309 0.069 18612 2548 1 4 . 1 1 89 89 VAL H H 89 8.347 8.347 7.893 0.454 18612 2549 1 4 . 1 1 90 90 SER N N 90 114.835 114.835 114.878 -0.043 18612 2550 1 4 . 1 1 90 90 SER HA H 90 4.207 4.207 4.118 0.089 18612 2551 1 4 . 1 1 90 90 SER CA C 90 62.000 62.000 62.118 -0.118 18612 2552 1 4 . 1 1 90 90 SER CB C 90 62.770 62.770 62.978 -0.208 18612 2553 1 4 . 1 1 90 90 SER H H 90 7.942 7.942 8.001 -0.059 18612 2554 1 4 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.979 0.064 18612 2555 1 4 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.507 -0.067 18612 2556 1 4 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.588 0.646 18612 2557 1 4 . 1 1 92 92 LEU N N 92 119.720 119.720 120.100 -0.380 18612 2558 1 4 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.128 -0.180 18612 2559 1 4 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.921 0.199 18612 2560 1 4 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.732 -1.156 18612 2561 1 4 . 1 1 92 92 LEU H H 92 8.379 8.379 7.943 0.436 18612 2562 1 4 . 1 1 93 93 GLN N N 93 120.938 120.938 119.284 1.654 18612 2563 1 4 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.345 0.208 18612 2564 1 4 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.944 0.106 18612 2565 1 4 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.248 -0.268 18612 2566 1 4 . 1 1 93 93 GLN H H 93 8.751 8.751 8.412 0.339 18612 2567 1 4 . 1 1 94 94 ASP N N 94 122.442 122.442 118.957 3.485 18612 2568 1 4 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.505 -0.046 18612 2569 1 4 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.257 0.843 18612 2570 1 4 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.226 -0.965 18612 2571 1 4 . 1 1 94 94 ASP H H 94 8.470 8.470 8.282 0.188 18612 2572 1 4 . 1 1 95 95 ALA N N 95 120.437 120.437 121.091 -0.654 18612 2573 1 4 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.381 0.131 18612 2574 1 4 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.520 -1.774 18612 2575 1 4 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.989 0.031 18612 2576 1 4 . 1 1 95 95 ALA H H 95 7.340 7.340 7.732 -0.392 18612 2577 1 4 . 1 1 96 96 GLY N N 96 106.865 106.865 108.522 -1.657 18612 2578 1 4 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.608 0.682 18612 2579 1 4 . 1 1 96 96 GLY H H 96 7.987 7.987 7.761 0.226 18612 2580 1 4 . 1 1 97 97 ILE N N 97 122.489 122.489 117.787 4.702 18612 2581 1 4 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.322 -0.068 18612 2582 1 4 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.931 -0.281 18612 2583 1 4 . 1 1 97 97 ILE CB C 97 37.973 37.973 39.525 -1.552 18612 2584 1 4 . 1 1 97 97 ILE H H 97 8.062 8.062 7.693 0.369 18612 2585 1 4 . 1 1 98 98 LYS N N 98 127.459 127.459 124.668 2.791 18612 2586 1 4 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.265 0.242 18612 2587 1 4 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.244 0.677 18612 2588 1 4 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.902 -0.469 18612 2589 1 4 . 1 1 98 98 LYS H H 98 8.574 8.574 8.618 -0.044 18612 2590 1 4 . 1 1 99 99 ALA N N 99 130.423 130.423 129.783 0.640 18612 2591 1 4 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.608 1.156 18612 2592 1 4 . 1 1 99 99 ALA CA C 99 49.211 49.211 52.145 -2.934 18612 2593 1 4 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.867 5.003 18612 2594 1 4 . 1 1 99 99 ALA H H 99 7.813 7.813 8.267 -0.454 18612 2595 1 4 . 1 1 100 100 GLU N N 100 118.988 118.988 121.414 -2.426 18612 2596 1 4 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.586 0.249 18612 2597 1 4 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.679 0.027 18612 2598 1 4 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.268 2.653 18612 2599 1 4 . 1 1 100 100 GLU H H 100 8.226 8.226 7.969 0.257 18612 2600 1 4 . 1 1 101 101 LEU N N 101 120.024 120.024 123.338 -3.314 18612 2601 1 4 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.463 0.251 18612 2602 1 4 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.850 0.910 18612 2603 1 4 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.323 -0.239 18612 2604 1 4 . 1 1 101 101 LEU H H 101 8.478 8.478 8.326 0.152 18612 2605 1 4 . 1 1 102 102 LEU N N 102 118.623 118.623 122.468 -3.845 18612 2606 1 4 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.615 -0.581 18612 2607 1 4 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.856 4.604 18612 2608 1 4 . 1 1 102 102 LEU CB C 102 41.225 41.225 46.492 -5.267 18612 2609 1 4 . 1 1 102 102 LEU H H 102 8.763 8.763 8.257 0.506 18612 2610 1 4 . 1 1 103 103 TYR N N 103 115.970 115.970 113.433 2.537 18612 2611 1 4 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.755 -0.173 18612 2612 1 4 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.464 -1.491 18612 2613 1 4 . 1 1 103 103 TYR CB C 103 38.732 38.732 37.880 0.852 18612 2614 1 4 . 1 1 103 103 TYR H H 103 7.378 7.378 8.296 -0.918 18612 2615 1 4 . 1 1 104 104 LYS N N 104 120.577 120.577 123.161 -2.584 18612 2616 1 4 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.146 -0.007 18612 2617 1 4 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.430 0.050 18612 2618 1 4 . 1 1 104 104 LYS CB C 104 32.922 32.922 30.945 1.977 18612 2619 1 4 . 1 1 104 104 LYS H H 104 7.906 7.906 8.036 -0.130 18612 2620 1 4 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.163 -0.134 18612 2621 1 4 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.150 -0.151 18612 2622 1 4 . 1 1 113 113 LEU N N 113 120.147 120.147 120.060 0.087 18612 2623 1 4 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.161 -0.178 18612 2624 1 4 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.894 0.526 18612 2625 1 4 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.099 -0.506 18612 2626 1 4 . 1 1 113 113 LEU H H 113 8.365 8.365 8.774 -0.409 18612 2627 1 4 . 1 1 114 114 GLN N N 114 119.995 119.995 118.917 1.078 18612 2628 1 4 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.045 -0.008 18612 2629 1 4 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.947 0.023 18612 2630 1 4 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.387 -0.198 18612 2631 1 4 . 1 1 114 114 GLN H H 114 8.126 8.126 7.750 0.376 18612 2632 1 4 . 1 1 115 115 TYR N N 115 120.358 120.358 119.716 0.642 18612 2633 1 4 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.262 0.033 18612 2634 1 4 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.545 -0.515 18612 2635 1 4 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.639 -0.870 18612 2636 1 4 . 1 1 115 115 TYR H H 115 7.819 7.819 8.130 -0.311 18612 2637 1 4 . 1 1 116 116 CYS N N 116 116.264 116.264 118.485 -2.221 18612 2638 1 4 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.032 -0.216 18612 2639 1 4 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.663 2.567 18612 2640 1 4 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.783 -0.463 18612 2641 1 4 . 1 1 116 116 CYS H H 116 7.710 7.710 8.131 -0.421 18612 2642 1 4 . 1 1 117 117 GLU N N 117 119.526 119.526 119.373 0.153 18612 2643 1 4 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.001 -0.153 18612 2644 1 4 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.222 -0.072 18612 2645 1 4 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.666 0.034 18612 2646 1 4 . 1 1 117 117 GLU H H 117 7.912 7.912 8.338 -0.426 18612 2647 1 4 . 1 1 118 118 GLU N N 118 119.875 119.875 118.967 0.908 18612 2648 1 4 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.111 -0.142 18612 2649 1 4 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.159 0.621 18612 2650 1 4 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.989 -0.179 18612 2651 1 4 . 1 1 118 118 GLU H H 118 7.988 7.988 7.895 0.093 18612 2652 1 4 . 1 1 119 119 ALA N N 119 119.118 119.118 121.360 -2.242 18612 2653 1 4 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.165 0.001 18612 2654 1 4 . 1 1 119 119 ALA CA C 119 52.654 52.654 51.321 1.333 18612 2655 1 4 . 1 1 119 119 ALA CB C 119 19.080 19.080 17.918 1.162 18612 2656 1 4 . 1 1 119 119 ALA H H 119 8.137 8.137 7.250 0.887 18612 2657 1 4 . 1 1 120 120 GLY N N 120 106.604 106.604 108.206 -1.602 18612 2658 1 4 . 1 1 120 120 GLY CA C 120 46.377 46.377 46.123 0.254 18612 2659 1 4 . 1 1 120 120 GLY H H 120 7.550 7.550 7.469 0.081 18612 2660 1 4 . 1 1 121 121 ILE N N 121 124.026 124.026 123.477 0.549 18612 2661 1 4 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.328 -0.317 18612 2662 1 4 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.410 1.641 18612 2663 1 4 . 1 1 121 121 ILE CB C 121 40.051 40.051 37.931 2.120 18612 2664 1 4 . 1 1 121 121 ILE H H 121 7.918 7.918 7.549 0.369 18612 2665 1 4 . 1 1 123 123 LEU N N 123 119.541 119.541 120.208 -0.667 18612 2666 1 4 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.201 0.302 18612 2667 1 4 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.015 -0.329 18612 2668 1 4 . 1 1 123 123 LEU CB C 123 47.057 47.057 43.992 3.065 18612 2669 1 4 . 1 1 123 123 LEU H H 123 6.973 6.973 8.433 -1.460 18612 2670 1 4 . 1 1 124 124 VAL N N 124 119.580 119.580 117.973 1.607 18612 2671 1 4 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.104 -0.068 18612 2672 1 4 . 1 1 124 124 VAL CA C 124 59.580 59.580 59.618 -0.038 18612 2673 1 4 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.273 -1.016 18612 2674 1 4 . 1 1 124 124 VAL H H 124 8.823 8.823 8.048 0.775 18612 2675 1 4 . 1 1 125 125 ALA N N 125 130.810 130.810 123.772 7.038 18612 2676 1 4 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.900 0.256 18612 2677 1 4 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.189 -1.994 18612 2678 1 4 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.863 -1.803 18612 2679 1 4 . 1 1 125 125 ALA H H 125 9.083 9.083 8.592 0.491 18612 2680 1 4 . 1 1 126 126 ILE N N 126 124.925 124.925 126.436 -1.511 18612 2681 1 4 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.736 -0.233 18612 2682 1 4 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.801 1.159 18612 2683 1 4 . 1 1 126 126 ILE CB C 126 39.805 39.805 36.082 3.723 18612 2684 1 4 . 1 1 126 126 ILE H H 126 9.564 9.564 8.735 0.829 18612 2685 1 4 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.628 0.015 18612 2686 1 4 . 1 1 127 127 ILE CA C 127 59.440 59.440 59.006 0.434 18612 2687 1 4 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.589 1.413 18612 2688 1 4 . 1 1 129 129 GLU N N 129 121.547 121.547 123.412 -1.865 18612 2689 1 4 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.804 0.144 18612 2690 1 4 . 1 1 129 129 GLU CA C 129 60.400 60.400 60.010 0.390 18612 2691 1 4 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.601 0.701 18612 2692 1 4 . 1 1 129 129 GLU H H 129 9.035 9.035 8.986 0.049 18612 2693 1 4 . 1 1 130 130 GLN N N 130 120.221 120.221 117.611 2.610 18612 2694 1 4 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.095 -0.218 18612 2695 1 4 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.927 -0.507 18612 2696 1 4 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.654 -0.254 18612 2697 1 4 . 1 1 130 130 GLN H H 130 8.914 8.914 8.499 0.415 18612 2698 1 4 . 1 1 131 131 GLU N N 131 120.680 120.680 120.235 0.445 18612 2699 1 4 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.102 -0.163 18612 2700 1 4 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.038 2.172 18612 2701 1 4 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.387 -1.217 18612 2702 1 4 . 1 1 131 131 GLU H H 131 8.871 8.871 7.595 1.276 18612 2703 1 4 . 1 1 132 132 LEU N N 132 118.303 118.303 120.659 -2.356 18612 2704 1 4 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.055 0.307 18612 2705 1 4 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.410 -2.294 18612 2706 1 4 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.110 -0.287 18612 2707 1 4 . 1 1 132 132 LEU H H 132 8.152 8.152 8.575 -0.423 18612 2708 1 4 . 1 1 133 133 LYS N N 133 120.924 120.924 117.966 2.958 18612 2709 1 4 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.189 -0.108 18612 2710 1 4 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.711 0.869 18612 2711 1 4 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.617 -0.145 18612 2712 1 4 . 1 1 133 133 LYS H H 133 7.631 7.631 7.742 -0.111 18612 2713 1 4 . 1 1 134 134 ASP N N 134 118.256 118.256 117.104 1.152 18612 2714 1 4 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.635 0.034 18612 2715 1 4 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.436 -0.285 18612 2716 1 4 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.487 -0.106 18612 2717 1 4 . 1 1 134 134 ASP H H 134 7.985 7.985 7.951 0.034 18612 2718 1 4 . 1 1 135 135 GLY N N 135 109.383 109.383 105.930 3.453 18612 2719 1 4 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.056 1.507 18612 2720 1 4 . 1 1 135 135 GLY H H 135 8.019 8.019 7.926 0.093 18612 2721 1 4 . 1 1 136 136 VAL N N 136 117.112 117.112 117.255 -0.143 18612 2722 1 4 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.976 0.927 18612 2723 1 4 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.420 -1.470 18612 2724 1 4 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.367 2.518 18612 2725 1 4 . 1 1 136 136 VAL H H 136 8.229 8.229 7.493 0.736 18612 2726 1 4 . 1 1 137 137 ILE N N 137 121.971 121.971 122.465 -0.494 18612 2727 1 4 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.550 -0.376 18612 2728 1 4 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.310 -1.750 18612 2729 1 4 . 1 1 137 137 ILE CB C 137 40.789 40.789 37.945 2.844 18612 2730 1 4 . 1 1 137 137 ILE H H 137 8.975 8.975 8.049 0.926 18612 2731 1 4 . 1 1 138 138 LYS N N 138 126.613 126.613 128.895 -2.282 18612 2732 1 4 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.936 -0.012 18612 2733 1 4 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.247 0.468 18612 2734 1 4 . 1 1 138 138 LYS CB C 138 33.217 33.217 33.473 -0.256 18612 2735 1 4 . 1 1 138 138 LYS H H 138 7.726 7.726 8.025 -0.299 18612 2736 1 4 . 1 1 139 139 LEU N N 139 129.177 129.177 125.723 3.454 18612 2737 1 4 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.841 0.362 18612 2738 1 4 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.685 -1.395 18612 2739 1 4 . 1 1 139 139 LEU CB C 139 44.760 44.760 43.536 1.224 18612 2740 1 4 . 1 1 139 139 LEU H H 139 9.404 9.404 8.263 1.141 18612 2741 1 4 . 1 1 140 140 ARG N N 140 128.243 128.243 118.809 9.434 18612 2742 1 4 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.732 0.530 18612 2743 1 4 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.790 -2.105 18612 2744 1 4 . 1 1 140 140 ARG CB C 140 27.990 27.990 32.856 -4.866 18612 2745 1 4 . 1 1 140 140 ARG H H 140 9.540 9.540 8.183 1.357 18612 2746 1 4 . 1 1 142 142 VAL N N 142 129.670 129.670 125.621 4.049 18612 2747 1 4 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.676 -0.129 18612 2748 1 4 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.895 0.055 18612 2749 1 4 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.612 1.076 18612 2750 1 4 . 1 1 142 142 VAL H H 142 8.336 8.336 8.095 0.241 18612 2751 1 4 . 1 1 143 143 THR N N 143 111.061 111.061 112.900 -1.839 18612 2752 1 4 . 1 1 143 143 THR HA H 143 4.157 4.157 4.161 -0.004 18612 2753 1 4 . 1 1 143 143 THR CA C 143 69.400 69.400 64.986 4.415 18612 2754 1 4 . 1 1 143 143 THR CB C 143 70.020 70.020 68.827 1.193 18612 2755 1 4 . 1 1 143 143 THR H H 143 8.248 8.248 8.346 -0.098 18612 2756 1 4 . 1 1 144 144 SER N N 144 115.158 115.158 117.213 -2.055 18612 2757 1 4 . 1 1 144 144 SER HA H 144 4.514 4.514 4.304 0.210 18612 2758 1 4 . 1 1 144 144 SER CA C 144 58.370 58.370 60.429 -2.059 18612 2759 1 4 . 1 1 144 144 SER CB C 144 64.500 64.500 63.465 1.035 18612 2760 1 4 . 1 1 144 144 SER H H 144 7.812 7.812 8.366 -0.554 18612 2761 1 4 . 1 1 145 145 ARG N N 145 116.527 116.527 119.325 -2.798 18612 2762 1 4 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.506 -0.680 18612 2763 1 4 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.448 1.852 18612 2764 1 4 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.031 -3.830 18612 2765 1 4 . 1 1 145 145 ARG H H 145 7.836 7.836 7.720 0.116 18612 2766 1 4 . 1 1 146 146 GLU N N 146 119.889 119.889 114.567 5.322 18612 2767 1 4 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.283 -0.014 18612 2768 1 4 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.309 -0.379 18612 2769 1 4 . 1 1 146 146 GLU CB C 146 31.638 31.638 30.904 0.735 18612 2770 1 4 . 1 1 146 146 GLU H H 146 7.675 7.675 8.234 -0.559 18612 2771 1 4 . 1 1 147 147 GLU N N 147 124.286 124.286 119.149 5.137 18612 2772 1 4 . 1 1 147 147 GLU HA H 147 5.319 5.319 5.000 0.319 18612 2773 1 4 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.020 -0.085 18612 2774 1 4 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.459 0.281 18612 2775 1 4 . 1 1 147 147 GLU H H 147 8.602 8.602 8.145 0.457 18612 2776 1 4 . 1 1 148 148 VAL N N 148 120.587 120.587 119.370 1.217 18612 2777 1 4 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.313 0.221 18612 2778 1 4 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.884 -1.224 18612 2779 1 4 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.654 -0.964 18612 2780 1 4 . 1 1 148 148 VAL H H 148 8.536 8.536 8.365 0.171 18612 2781 1 4 . 1 1 149 149 ASP N N 149 125.031 125.031 124.272 0.759 18612 2782 1 4 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.889 0.265 18612 2783 1 4 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.668 0.245 18612 2784 1 4 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.057 -1.276 18612 2785 1 4 . 1 1 149 149 ASP H H 149 8.411 8.411 8.291 0.120 18612 2786 1 4 . 1 1 150 150 VAL N N 150 123.264 123.264 119.175 4.089 18612 2787 1 4 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.715 -0.315 18612 2788 1 4 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.065 0.575 18612 2789 1 4 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.022 -0.997 18612 2790 1 4 . 1 1 150 150 VAL H H 150 9.061 9.061 8.906 0.155 18612 2791 1 4 . 1 1 151 151 ARG N N 151 125.112 125.112 120.922 4.190 18612 2792 1 4 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.580 -0.172 18612 2793 1 4 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.967 2.143 18612 2794 1 4 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.003 -0.113 18612 2795 1 4 . 1 1 151 151 ARG H H 151 9.048 9.048 8.590 0.458 18612 2796 1 4 . 1 1 152 152 ARG N N 152 124.828 124.828 120.156 4.672 18612 2797 1 4 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.754 -0.088 18612 2798 1 4 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.398 -0.368 18612 2799 1 4 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.540 1.470 18612 2800 1 4 . 1 1 152 152 ARG H H 152 8.582 8.582 8.671 -0.089 18612 2801 1 4 . 1 1 153 153 GLU N N 153 116.730 116.730 118.285 -1.555 18612 2802 1 4 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.075 0.125 18612 2803 1 4 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.683 -0.713 18612 2804 1 4 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.568 -0.988 18612 2805 1 4 . 1 1 153 153 GLU H H 153 9.924 9.924 8.372 1.552 18612 2806 1 4 . 1 1 154 154 ASP N N 154 119.318 119.318 117.894 1.424 18612 2807 1 4 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.471 0.547 18612 2808 1 4 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.305 -2.913 18612 2809 1 4 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.227 2.063 18612 2810 1 4 . 1 1 154 154 ASP H H 154 7.758 7.758 8.792 -1.034 18612 2811 1 4 . 1 1 155 155 LEU N N 155 121.863 121.863 119.581 2.282 18612 2812 1 4 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.276 -0.461 18612 2813 1 4 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.024 1.146 18612 2814 1 4 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.672 0.955 18612 2815 1 4 . 1 1 155 155 LEU H H 155 7.315 7.315 7.504 -0.189 18612 2816 1 4 . 1 1 156 156 VAL N N 156 118.555 118.555 120.425 -1.870 18612 2817 1 4 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.621 -0.366 18612 2818 1 4 . 1 1 156 156 VAL CA C 156 67.660 67.660 67.058 0.602 18612 2819 1 4 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.453 -0.223 18612 2820 1 4 . 1 1 156 156 VAL H H 156 8.490 8.490 7.782 0.708 18612 2821 1 4 . 1 1 157 157 GLU N N 157 118.568 118.568 119.694 -1.126 18612 2822 1 4 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.963 -0.053 18612 2823 1 4 . 1 1 157 157 GLU CA C 157 59.420 59.420 60.113 -0.693 18612 2824 1 4 . 1 1 157 157 GLU H H 157 8.138 8.138 8.202 -0.064 18612 2825 1 4 . 1 1 158 158 GLU N N 158 118.484 118.484 119.129 -0.645 18612 2826 1 4 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.055 0.085 18612 2827 1 4 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.403 -2.113 18612 2828 1 4 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.481 -0.007 18612 2829 1 4 . 1 1 158 158 GLU H H 158 8.138 8.138 7.776 0.362 18612 2830 1 4 . 1 1 159 159 ILE N N 159 119.508 119.508 115.718 3.790 18612 2831 1 4 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.764 -0.336 18612 2832 1 4 . 1 1 159 159 ILE CA C 159 65.890 65.890 64.820 1.070 18612 2833 1 4 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.427 -7.427 18612 2834 1 4 . 1 1 159 159 ILE H H 159 8.482 8.482 7.788 0.694 18612 2835 1 4 . 1 1 160 160 LYS N N 160 121.513 121.513 120.859 0.654 18612 2836 1 4 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.002 -0.224 18612 2837 1 4 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.553 1.297 18612 2838 1 4 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.207 0.043 18612 2839 1 4 . 1 1 160 160 LYS H H 160 8.424 8.424 7.927 0.497 18612 2840 1 4 . 1 1 161 161 ARG N N 161 118.966 118.966 118.063 0.903 18612 2841 1 4 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.033 0.036 18612 2842 1 4 . 1 1 161 161 ARG CA C 161 59.330 59.330 59.261 0.069 18612 2843 1 4 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.230 0.662 18612 2844 1 4 . 1 1 161 161 ARG H H 161 8.248 8.248 8.305 -0.057 18612 2845 1 4 . 1 1 162 162 ARG N N 162 117.033 117.033 117.842 -0.809 18612 2846 1 4 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.126 0.116 18612 2847 1 4 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.384 -0.326 18612 2848 1 4 . 1 1 162 162 ARG CB C 162 31.790 31.790 29.769 2.021 18612 2849 1 4 . 1 1 162 162 ARG H H 162 7.811 7.811 7.900 -0.089 18612 2850 1 4 . 1 1 163 163 THR N N 163 108.588 108.588 112.948 -4.360 18612 2851 1 4 . 1 1 163 163 THR HA H 163 4.549 4.549 4.470 0.079 18612 2852 1 4 . 1 1 163 163 THR CA C 163 61.820 61.820 62.600 -0.780 18612 2853 1 4 . 1 1 163 163 THR CB C 163 70.020 70.020 68.811 1.208 18612 2854 1 4 . 1 1 163 163 THR H H 163 7.831 7.831 7.657 0.174 18612 2855 1 4 . 1 1 164 164 GLY N N 164 110.640 110.640 110.528 0.112 18612 2856 1 4 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.361 0.352 18612 2857 1 4 . 1 1 164 164 GLY H H 164 7.847 7.847 7.851 -0.004 18612 2858 1 4 . 1 1 165 165 GLN N N 165 120.993 120.993 120.622 0.371 18612 2859 1 4 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.759 -0.817 18612 2860 1 4 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.370 2.708 18612 2861 1 4 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.357 0.212 18612 2862 1 4 . 1 1 165 165 GLN H H 165 8.141 8.141 8.145 -0.004 18612 2863 1 4 . 1 1 167 167 LEU N N 167 122.540 122.540 119.350 3.190 18612 2864 1 4 . 1 1 167 167 LEU H H 167 8.370 8.370 8.120 0.250 18612 2865 1 4 . 1 1 168 168 SER N N 168 116.635 116.635 114.699 1.936 18612 2866 1 4 . 1 1 168 168 SER H H 168 8.269 8.269 8.125 0.144 18612 2867 1 4 . 1 1 169 169 ILE N N 169 122.767 122.767 122.008 0.759 18612 2868 1 4 . 1 1 169 169 ILE H H 169 8.165 8.165 8.246 -0.081 18612 2869 1 5 . 1 1 2 2 GLU N N 2 120.329 120.329 119.849 0.480 18612 2870 1 5 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.425 -0.283 18612 2871 1 5 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.513 2.557 18612 2872 1 5 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.492 -0.992 18612 2873 1 5 . 1 1 2 2 GLU H H 2 8.498 8.498 8.422 0.076 18612 2874 1 5 . 1 1 3 3 ARG N N 3 121.547 121.547 120.073 1.474 18612 2875 1 5 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.050 -0.026 18612 2876 1 5 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.187 0.053 18612 2877 1 5 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.795 0.155 18612 2878 1 5 . 1 1 3 3 ARG H H 3 8.238 8.238 8.483 -0.245 18612 2879 1 5 . 1 1 4 4 ALA N N 4 121.449 121.449 122.038 -0.589 18612 2880 1 5 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.139 0.064 18612 2881 1 5 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.824 0.215 18612 2882 1 5 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.983 -0.073 18612 2883 1 5 . 1 1 4 4 ALA H H 4 8.068 8.068 8.445 -0.377 18612 2884 1 5 . 1 1 5 5 ALA N N 5 121.000 121.000 121.516 -0.516 18612 2885 1 5 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.159 0.059 18612 2886 1 5 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.779 -0.035 18612 2887 1 5 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.219 0.191 18612 2888 1 5 . 1 1 5 5 ALA H H 5 7.831 7.831 8.118 -0.287 18612 2889 1 5 . 1 1 6 6 LEU N N 6 121.402 121.402 118.017 3.385 18612 2890 1 5 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.053 0.108 18612 2891 1 5 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.127 -0.177 18612 2892 1 5 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.357 0.684 18612 2893 1 5 . 1 1 6 6 LEU H H 6 7.919 7.919 7.784 0.135 18612 2894 1 5 . 1 1 7 7 GLU N N 7 119.203 119.203 119.754 -0.551 18612 2895 1 5 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.914 -0.056 18612 2896 1 5 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.175 0.055 18612 2897 1 5 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.444 0.096 18612 2898 1 5 . 1 1 7 7 GLU H H 7 8.706 8.706 8.715 -0.009 18612 2899 1 5 . 1 1 8 8 GLU N N 8 120.194 120.194 119.776 0.418 18612 2900 1 5 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.184 0.011 18612 2901 1 5 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.440 0.730 18612 2902 1 5 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.252 0.208 18612 2903 1 5 . 1 1 8 8 GLU H H 8 7.761 7.761 7.762 -0.001 18612 2904 1 5 . 1 1 9 9 LEU N N 9 120.526 120.526 121.318 -0.792 18612 2905 1 5 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.190 -0.026 18612 2906 1 5 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.845 0.275 18612 2907 1 5 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.041 -0.253 18612 2908 1 5 . 1 1 9 9 LEU H H 9 7.913 7.913 7.793 0.120 18612 2909 1 5 . 1 1 10 10 VAL N N 10 120.804 120.804 120.470 0.334 18612 2910 1 5 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.642 -0.185 18612 2911 1 5 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.686 1.344 18612 2912 1 5 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.493 0.554 18612 2913 1 5 . 1 1 10 10 VAL H H 10 8.570 8.570 8.447 0.123 18612 2914 1 5 . 1 1 11 11 LYS N N 11 123.175 123.175 120.771 2.404 18612 2915 1 5 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.988 0.056 18612 2916 1 5 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.419 -0.549 18612 2917 1 5 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.426 -0.034 18612 2918 1 5 . 1 1 11 11 LYS H H 11 7.909 7.909 7.719 0.190 18612 2919 1 5 . 1 1 12 12 LEU N N 12 120.772 120.772 116.190 4.582 18612 2920 1 5 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.178 -0.072 18612 2921 1 5 . 1 1 12 12 LEU CA C 12 57.920 57.920 58.064 -0.144 18612 2922 1 5 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.213 0.624 18612 2923 1 5 . 1 1 12 12 LEU H H 12 8.436 8.436 7.767 0.669 18612 2924 1 5 . 1 1 13 13 GLN N N 13 121.677 121.677 119.592 2.085 18612 2925 1 5 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.167 0.167 18612 2926 1 5 . 1 1 13 13 GLN CA C 13 57.400 57.400 58.743 -1.343 18612 2927 1 5 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.290 -1.770 18612 2928 1 5 . 1 1 13 13 GLN H H 13 8.710 8.710 7.846 0.864 18612 2929 1 5 . 1 1 14 14 GLY N N 14 109.543 109.543 108.565 0.978 18612 2930 1 5 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.879 0.684 18612 2931 1 5 . 1 1 14 14 GLY H H 14 8.714 8.714 8.668 0.046 18612 2932 1 5 . 1 1 15 15 GLU N N 15 123.144 123.144 121.642 1.502 18612 2933 1 5 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.057 0.091 18612 2934 1 5 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.174 -0.204 18612 2935 1 5 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.658 -0.198 18612 2936 1 5 . 1 1 15 15 GLU H H 15 7.913 7.913 7.905 0.008 18612 2937 1 5 . 1 1 16 16 ARG N N 16 123.135 123.135 119.961 3.174 18612 2938 1 5 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.115 0.023 18612 2939 1 5 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.423 -0.453 18612 2940 1 5 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.236 -0.837 18612 2941 1 5 . 1 1 16 16 ARG H H 16 8.104 8.104 7.737 0.367 18612 2942 1 5 . 1 1 17 17 VAL N N 17 119.501 119.501 119.754 -0.253 18612 2943 1 5 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.511 -0.098 18612 2944 1 5 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.644 0.806 18612 2945 1 5 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.440 0.618 18612 2946 1 5 . 1 1 17 17 VAL H H 17 8.192 8.192 8.097 0.095 18612 2947 1 5 . 1 1 18 18 ARG N N 18 119.372 119.372 118.684 0.688 18612 2948 1 5 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.045 -0.111 18612 2949 1 5 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.777 0.283 18612 2950 1 5 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.785 0.486 18612 2951 1 5 . 1 1 18 18 ARG H H 18 7.980 7.980 8.202 -0.222 18612 2952 1 5 . 1 1 19 19 GLY N N 19 107.241 107.241 107.721 -0.480 18612 2953 1 5 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.894 0.468 18612 2954 1 5 . 1 1 19 19 GLY H H 19 8.362 8.362 8.012 0.350 18612 2955 1 5 . 1 1 20 20 LEU N N 20 122.627 122.627 121.063 1.564 18612 2956 1 5 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.393 -0.344 18612 2957 1 5 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.402 0.488 18612 2958 1 5 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.969 0.451 18612 2959 1 5 . 1 1 20 20 LEU H H 20 8.049 8.049 8.427 -0.378 18612 2960 1 5 . 1 1 21 21 LYS N N 21 118.255 118.255 120.340 -2.085 18612 2961 1 5 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.853 0.205 18612 2962 1 5 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.782 0.228 18612 2963 1 5 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.271 0.323 18612 2964 1 5 . 1 1 21 21 LYS H H 21 8.123 8.123 8.514 -0.391 18612 2965 1 5 . 1 1 22 22 GLN N N 22 121.183 121.183 117.389 3.794 18612 2966 1 5 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.149 -0.062 18612 2967 1 5 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.280 0.480 18612 2968 1 5 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.984 -0.384 18612 2969 1 5 . 1 1 22 22 GLN H H 22 8.234 8.234 7.752 0.482 18612 2970 1 5 . 1 1 23 23 GLN N N 23 116.219 116.219 118.343 -2.124 18612 2971 1 5 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.265 -0.002 18612 2972 1 5 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.425 -1.747 18612 2973 1 5 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.646 -0.376 18612 2974 1 5 . 1 1 23 23 GLN H H 23 7.820 7.820 7.827 -0.007 18612 2975 1 5 . 1 1 24 24 LYS N N 24 117.349 117.349 115.779 1.570 18612 2976 1 5 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.571 -0.659 18612 2977 1 5 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.523 1.507 18612 2978 1 5 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.386 -4.536 18612 2979 1 5 . 1 1 24 24 LYS H H 24 7.884 7.884 8.217 -0.333 18612 2980 1 5 . 1 1 25 25 ALA N N 25 119.909 119.909 123.700 -3.791 18612 2981 1 5 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.166 0.113 18612 2982 1 5 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.616 -1.596 18612 2983 1 5 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.284 3.036 18612 2984 1 5 . 1 1 25 25 ALA H H 25 7.620 7.620 7.976 -0.356 18612 2985 1 5 . 1 1 26 26 SER N N 26 113.188 113.188 114.773 -1.585 18612 2986 1 5 . 1 1 26 26 SER HA H 26 4.244 4.244 4.244 -0.000 18612 2987 1 5 . 1 1 26 26 SER CA C 26 58.390 58.390 59.367 -0.978 18612 2988 1 5 . 1 1 26 26 SER CB C 26 63.830 63.830 63.057 0.773 18612 2989 1 5 . 1 1 26 26 SER H H 26 8.228 8.228 8.376 -0.148 18612 2990 1 5 . 1 1 27 27 ALA N N 27 127.550 127.550 123.708 3.842 18612 2991 1 5 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.920 0.064 18612 2992 1 5 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.347 1.235 18612 2993 1 5 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.012 1.758 18612 2994 1 5 . 1 1 27 27 ALA H H 27 8.769 8.769 8.458 0.311 18612 2995 1 5 . 1 1 28 28 GLU N N 28 117.317 117.317 119.179 -1.862 18612 2996 1 5 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.279 -0.205 18612 2997 1 5 . 1 1 28 28 GLU CA C 28 59.700 59.700 58.818 0.882 18612 2998 1 5 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.694 -0.614 18612 2999 1 5 . 1 1 28 28 GLU H H 28 8.830 8.830 8.340 0.490 18612 3000 1 5 . 1 1 29 29 LEU N N 29 122.971 122.971 119.941 3.030 18612 3001 1 5 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.254 0.057 18612 3002 1 5 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.849 -0.279 18612 3003 1 5 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.212 0.393 18612 3004 1 5 . 1 1 29 29 LEU H H 29 7.401 7.401 8.116 -0.715 18612 3005 1 5 . 1 1 30 30 ILE N N 30 118.784 118.784 119.543 -0.759 18612 3006 1 5 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.600 -0.203 18612 3007 1 5 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.237 1.073 18612 3008 1 5 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.658 0.165 18612 3009 1 5 . 1 1 30 30 ILE H H 30 8.019 8.019 8.119 -0.100 18612 3010 1 5 . 1 1 31 31 GLU N N 31 118.215 118.215 118.921 -0.706 18612 3011 1 5 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.924 0.044 18612 3012 1 5 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.635 0.205 18612 3013 1 5 . 1 1 31 31 GLU CB C 31 29.440 29.440 28.933 0.507 18612 3014 1 5 . 1 1 31 31 GLU H H 31 8.367 8.367 8.208 0.159 18612 3015 1 5 . 1 1 32 32 GLU N N 32 120.284 120.284 120.762 -0.478 18612 3016 1 5 . 1 1 32 32 GLU HA H 32 4.154 4.154 3.984 0.170 18612 3017 1 5 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.433 -0.053 18612 3018 1 5 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.533 0.307 18612 3019 1 5 . 1 1 32 32 GLU H H 32 7.667 7.667 7.845 -0.178 18612 3020 1 5 . 1 1 33 33 GLU N N 33 120.010 120.010 118.471 1.539 18612 3021 1 5 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.079 0.139 18612 3022 1 5 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.325 -0.945 18612 3023 1 5 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.564 -1.384 18612 3024 1 5 . 1 1 33 33 GLU H H 33 8.156 8.156 8.365 -0.209 18612 3025 1 5 . 1 1 34 34 VAL N N 34 125.322 125.322 120.531 4.791 18612 3026 1 5 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.575 0.067 18612 3027 1 5 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.700 0.150 18612 3028 1 5 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.575 0.265 18612 3029 1 5 . 1 1 34 34 VAL H H 34 9.243 9.243 7.858 1.385 18612 3030 1 5 . 1 1 35 35 ALA N N 35 123.214 123.214 122.199 1.015 18612 3031 1 5 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.996 0.102 18612 3032 1 5 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.456 0.286 18612 3033 1 5 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.198 -0.948 18612 3034 1 5 . 1 1 35 35 ALA H H 35 8.160 8.160 8.056 0.104 18612 3035 1 5 . 1 1 36 36 LYS N N 36 117.979 117.979 119.361 -1.382 18612 3036 1 5 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.001 -0.006 18612 3037 1 5 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.472 0.328 18612 3038 1 5 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.254 0.608 18612 3039 1 5 . 1 1 36 36 LYS H H 36 7.607 7.607 7.685 -0.078 18612 3040 1 5 . 1 1 37 37 LEU N N 37 120.957 120.957 121.197 -0.240 18612 3041 1 5 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.024 -0.021 18612 3042 1 5 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.150 0.360 18612 3043 1 5 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.926 0.104 18612 3044 1 5 . 1 1 37 37 LEU H H 37 7.762 7.762 7.967 -0.205 18612 3045 1 5 . 1 1 38 38 LEU N N 38 118.910 118.910 120.386 -1.476 18612 3046 1 5 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.903 0.073 18612 3047 1 5 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.387 -0.117 18612 3048 1 5 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.340 -0.382 18612 3049 1 5 . 1 1 38 38 LEU H H 38 8.636 8.636 7.727 0.909 18612 3050 1 5 . 1 1 39 39 LYS N N 39 120.804 120.804 118.899 1.905 18612 3051 1 5 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.952 0.128 18612 3052 1 5 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.528 -0.076 18612 3053 1 5 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.257 0.401 18612 3054 1 5 . 1 1 39 39 LYS H H 39 7.864 7.864 7.849 0.015 18612 3055 1 5 . 1 1 40 40 LEU N N 40 120.940 120.940 120.974 -0.034 18612 3056 1 5 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.348 -0.238 18612 3057 1 5 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.189 -0.249 18612 3058 1 5 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.942 1.144 18612 3059 1 5 . 1 1 40 40 LEU H H 40 7.831 7.831 8.295 -0.464 18612 3060 1 5 . 1 1 41 41 LYS N N 41 117.563 117.563 118.873 -1.310 18612 3061 1 5 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.941 -0.091 18612 3062 1 5 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.511 0.569 18612 3063 1 5 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.831 0.672 18612 3064 1 5 . 1 1 41 41 LYS H H 41 8.493 8.493 8.248 0.245 18612 3065 1 5 . 1 1 42 42 ALA N N 42 121.396 121.396 121.255 0.141 18612 3066 1 5 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.135 0.054 18612 3067 1 5 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.459 -0.179 18612 3068 1 5 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.004 -0.104 18612 3069 1 5 . 1 1 42 42 ALA H H 42 7.918 7.918 7.681 0.237 18612 3070 1 5 . 1 1 43 43 GLN N N 43 116.883 116.883 117.936 -1.053 18612 3071 1 5 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.062 0.074 18612 3072 1 5 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.041 -0.631 18612 3073 1 5 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.825 0.755 18612 3074 1 5 . 1 1 43 43 GLN H H 43 7.591 7.591 7.512 0.079 18612 3075 1 5 . 1 1 44 44 LEU N N 44 119.828 119.828 118.231 1.597 18612 3076 1 5 . 1 1 44 44 LEU HA H 44 4.208 4.208 3.973 0.235 18612 3077 1 5 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.741 -0.664 18612 3078 1 5 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.507 -0.080 18612 3079 1 5 . 1 1 44 44 LEU H H 44 7.574 7.574 7.688 -0.114 18612 3080 1 5 . 1 1 45 45 GLY N N 45 106.906 106.906 105.377 1.529 18612 3081 1 5 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.960 0.564 18612 3082 1 5 . 1 1 45 45 GLY H H 45 7.687 7.687 7.607 0.080 18612 3083 1 5 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.452 -0.005 18612 3084 1 5 . 1 1 46 46 PRO CA C 46 63.110 63.110 61.931 1.179 18612 3085 1 5 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.732 -0.302 18612 3086 1 5 . 1 1 47 47 ASP N N 47 121.060 121.060 119.942 1.118 18612 3087 1 5 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.423 0.155 18612 3088 1 5 . 1 1 47 47 ASP CA C 47 54.482 54.482 55.591 -1.109 18612 3089 1 5 . 1 1 47 47 ASP CB C 47 41.003 41.003 40.799 0.204 18612 3090 1 5 . 1 1 47 47 ASP H H 47 8.446 8.446 8.425 0.021 18612 3091 1 5 . 1 1 48 48 GLU N N 48 123.347 123.347 122.979 0.368 18612 3092 1 5 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.414 -0.170 18612 3093 1 5 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.874 0.056 18612 3094 1 5 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.407 0.140 18612 3095 1 5 . 1 1 48 48 GLU H H 48 8.577 8.577 8.169 0.408 18612 3096 1 5 . 1 1 49 49 SER N N 49 116.751 116.751 116.091 0.660 18612 3097 1 5 . 1 1 49 49 SER HA H 49 4.349 4.349 4.419 -0.070 18612 3098 1 5 . 1 1 49 49 SER CA C 49 59.380 59.380 59.218 0.162 18612 3099 1 5 . 1 1 49 49 SER CB C 49 63.460 63.460 63.678 -0.218 18612 3100 1 5 . 1 1 49 49 SER H H 49 8.399 8.399 8.394 0.005 18612 3101 1 5 . 1 1 50 50 LYS N N 50 121.935 121.935 120.777 1.158 18612 3102 1 5 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.284 0.157 18612 3103 1 5 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.544 -0.024 18612 3104 1 5 . 1 1 50 50 LYS CB C 50 30.455 30.455 33.214 -2.759 18612 3105 1 5 . 1 1 50 50 LYS H H 50 8.058 8.058 8.168 -0.110 18612 3106 1 5 . 1 1 51 51 GLN N N 51 122.155 122.155 118.629 3.526 18612 3107 1 5 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.461 -0.258 18612 3108 1 5 . 1 1 51 51 GLN CA C 51 57.209 57.209 55.410 1.799 18612 3109 1 5 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.228 1.560 18612 3110 1 5 . 1 1 51 51 GLN H H 51 8.273 8.273 8.405 -0.132 18612 3111 1 5 . 1 1 52 52 LYS N N 52 122.761 122.761 118.370 4.391 18612 3112 1 5 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.491 -0.176 18612 3113 1 5 . 1 1 52 52 LYS CA C 52 56.480 56.480 54.855 1.625 18612 3114 1 5 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.904 -0.982 18612 3115 1 5 . 1 1 52 52 LYS H H 52 8.251 8.251 8.205 0.046 18612 3116 1 5 . 1 1 53 53 PHE N N 53 121.326 121.326 118.535 2.791 18612 3117 1 5 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.390 0.254 18612 3118 1 5 . 1 1 53 53 PHE CA C 53 57.640 57.640 59.871 -2.231 18612 3119 1 5 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.135 0.453 18612 3120 1 5 . 1 1 53 53 PHE H H 53 8.153 8.153 8.435 -0.282 18612 3121 1 5 . 1 1 54 54 VAL N N 54 122.941 122.941 121.084 1.857 18612 3122 1 5 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.000 0.043 18612 3123 1 5 . 1 1 54 54 VAL CA C 54 61.980 61.980 63.508 -1.528 18612 3124 1 5 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.561 1.620 18612 3125 1 5 . 1 1 54 54 VAL H H 54 7.960 7.960 7.695 0.265 18612 3126 1 5 . 1 1 55 55 LEU N N 55 126.751 126.751 130.070 -3.319 18612 3127 1 5 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.559 -0.246 18612 3128 1 5 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.187 0.873 18612 3129 1 5 . 1 1 55 55 LEU CB C 55 42.315 42.315 44.031 -1.716 18612 3130 1 5 . 1 1 55 55 LEU H H 55 8.226 8.226 8.124 0.102 18612 3131 1 5 . 1 1 56 56 LYS N N 56 123.614 123.614 121.240 2.374 18612 3132 1 5 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.162 0.210 18612 3133 1 5 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.762 -0.850 18612 3134 1 5 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.097 1.094 18612 3135 1 5 . 1 1 56 56 LYS H H 56 8.320 8.320 8.500 -0.180 18612 3136 1 5 . 1 1 57 57 THR N N 57 115.794 115.794 117.376 -1.582 18612 3137 1 5 . 1 1 57 57 THR HA H 57 4.349 4.349 4.661 -0.312 18612 3138 1 5 . 1 1 57 57 THR CA C 57 58.960 58.960 59.898 -0.938 18612 3139 1 5 . 1 1 57 57 THR CB C 57 70.740 70.740 68.981 1.759 18612 3140 1 5 . 1 1 57 57 THR H H 57 7.892 7.892 8.056 -0.164 18612 3141 1 5 . 1 1 59 59 LYS N N 59 121.755 121.755 122.285 -0.530 18612 3142 1 5 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.460 -0.233 18612 3143 1 5 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.057 1.463 18612 3144 1 5 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.233 -0.139 18612 3145 1 5 . 1 1 59 59 LYS H H 59 8.300 8.300 7.746 0.554 18612 3146 1 5 . 1 1 60 60 ALA N N 60 125.263 125.263 120.459 4.804 18612 3147 1 5 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.066 0.212 18612 3148 1 5 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.646 0.218 18612 3149 1 5 . 1 1 60 60 ALA CB C 60 18.980 18.980 17.817 1.163 18612 3150 1 5 . 1 1 60 60 ALA H H 60 8.290 8.290 8.344 -0.054 18612 3151 1 5 . 1 1 61 61 LEU N N 61 121.255 121.255 119.797 1.458 18612 3152 1 5 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.109 0.171 18612 3153 1 5 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.118 0.467 18612 3154 1 5 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.696 -0.451 18612 3155 1 5 . 1 1 61 61 LEU H H 61 8.144 8.144 7.702 0.442 18612 3156 1 5 . 1 1 62 62 GLU N N 62 121.401 121.401 119.256 2.145 18612 3157 1 5 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.100 0.176 18612 3158 1 5 . 1 1 62 62 GLU CA C 62 56.930 56.930 57.181 -0.251 18612 3159 1 5 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.425 0.810 18612 3160 1 5 . 1 1 62 62 GLU H H 62 8.266 8.266 8.562 -0.296 18612 3161 1 5 . 1 1 64 64 LYS N N 64 120.575 120.575 119.392 1.183 18612 3162 1 5 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.539 -0.295 18612 3163 1 5 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.087 -0.001 18612 3164 1 5 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.458 -3.988 18612 3165 1 5 . 1 1 64 64 LYS H H 64 8.106 8.106 7.905 0.201 18612 3166 1 5 . 1 1 65 65 ILE N N 65 122.492 122.492 122.432 0.060 18612 3167 1 5 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.222 -0.082 18612 3168 1 5 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.545 -0.365 18612 3169 1 5 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.310 -0.760 18612 3170 1 5 . 1 1 65 65 ILE H H 65 8.135 8.135 8.344 -0.209 18612 3171 1 5 . 1 1 66 66 ARG N N 66 125.714 125.714 123.019 2.695 18612 3172 1 5 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.577 -0.109 18612 3173 1 5 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.829 0.238 18612 3174 1 5 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.593 0.433 18612 3175 1 5 . 1 1 66 66 ARG H H 66 8.402 8.402 8.153 0.249 18612 3176 1 5 . 1 1 67 67 THR N N 67 115.622 115.622 118.243 -2.621 18612 3177 1 5 . 1 1 67 67 THR HA H 67 4.445 4.445 4.468 -0.023 18612 3178 1 5 . 1 1 67 67 THR CA C 67 61.650 61.650 62.670 -1.020 18612 3179 1 5 . 1 1 67 67 THR CB C 67 69.620 69.620 69.377 0.243 18612 3180 1 5 . 1 1 67 67 THR H H 67 8.281 8.281 8.498 -0.217 18612 3181 1 5 . 1 1 68 68 THR N N 68 116.774 116.774 120.176 -3.402 18612 3182 1 5 . 1 1 68 68 THR HA H 68 4.503 4.503 4.450 0.053 18612 3183 1 5 . 1 1 68 68 THR CA C 68 61.050 61.050 62.361 -1.311 18612 3184 1 5 . 1 1 68 68 THR CB C 68 69.210 69.210 69.585 -0.375 18612 3185 1 5 . 1 1 68 68 THR H H 68 8.076 8.076 8.054 0.022 18612 3186 1 5 . 1 1 69 69 GLU N N 69 124.048 124.048 122.038 2.010 18612 3187 1 5 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.518 -0.142 18612 3188 1 5 . 1 1 69 69 GLU CA C 69 56.400 56.400 55.986 0.414 18612 3189 1 5 . 1 1 69 69 GLU CB C 69 30.618 30.618 29.439 1.179 18612 3190 1 5 . 1 1 69 69 GLU H H 69 8.515 8.515 8.091 0.424 18612 3191 1 5 . 1 1 70 70 THR N N 70 118.988 118.988 115.551 3.437 18612 3192 1 5 . 1 1 70 70 THR HA H 70 3.741 3.741 4.164 -0.423 18612 3193 1 5 . 1 1 70 70 THR CA C 70 64.680 64.680 63.745 0.935 18612 3194 1 5 . 1 1 70 70 THR CB C 70 68.770 68.770 69.505 -0.735 18612 3195 1 5 . 1 1 70 70 THR H H 70 8.259 8.259 7.628 0.631 18612 3196 1 5 . 1 1 71 71 GLN N N 71 125.858 125.858 125.590 0.268 18612 3197 1 5 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.412 -0.118 18612 3198 1 5 . 1 1 71 71 GLN CA C 71 57.400 57.400 55.337 2.063 18612 3199 1 5 . 1 1 71 71 GLN CB C 71 32.071 32.071 28.949 3.122 18612 3200 1 5 . 1 1 71 71 GLN H H 71 8.795 8.795 8.698 0.097 18612 3201 1 5 . 1 1 72 72 VAL N N 72 113.505 113.505 119.268 -5.763 18612 3202 1 5 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.295 -0.397 18612 3203 1 5 . 1 1 72 72 VAL CA C 72 58.620 58.620 61.054 -2.434 18612 3204 1 5 . 1 1 72 72 VAL CB C 72 35.404 35.404 36.208 -0.804 18612 3205 1 5 . 1 1 72 72 VAL H H 72 7.325 7.325 7.491 -0.166 18612 3206 1 5 . 1 1 73 73 LEU N N 73 128.725 128.725 123.298 5.427 18612 3207 1 5 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.740 0.352 18612 3208 1 5 . 1 1 73 73 LEU CA C 73 52.740 52.740 54.955 -2.215 18612 3209 1 5 . 1 1 73 73 LEU CB C 73 45.081 45.081 47.411 -2.330 18612 3210 1 5 . 1 1 73 73 LEU H H 73 8.170 8.170 8.914 -0.744 18612 3211 1 5 . 1 1 74 74 VAL N N 74 127.634 127.634 122.427 5.207 18612 3212 1 5 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.171 0.595 18612 3213 1 5 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.867 1.223 18612 3214 1 5 . 1 1 74 74 VAL CB C 74 31.690 31.690 34.346 -2.656 18612 3215 1 5 . 1 1 74 74 VAL H H 74 8.913 8.913 8.225 0.688 18612 3216 1 5 . 1 1 75 75 ALA N N 75 132.602 132.602 131.047 1.555 18612 3217 1 5 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.812 -0.005 18612 3218 1 5 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.390 0.510 18612 3219 1 5 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.079 2.841 18612 3220 1 5 . 1 1 75 75 ALA H H 75 9.421 9.421 8.901 0.520 18612 3221 1 5 . 1 1 76 76 SER N N 76 111.274 111.274 119.713 -8.439 18612 3222 1 5 . 1 1 76 76 SER HA H 76 4.951 4.951 4.789 0.162 18612 3223 1 5 . 1 1 76 76 SER CA C 76 56.940 56.940 56.184 0.755 18612 3224 1 5 . 1 1 76 76 SER CB C 76 65.960 65.960 64.327 1.633 18612 3225 1 5 . 1 1 76 76 SER H H 76 8.106 8.106 8.712 -0.606 18612 3226 1 5 . 1 1 77 77 ALA N N 77 125.393 125.393 128.278 -2.885 18612 3227 1 5 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.506 -0.045 18612 3228 1 5 . 1 1 77 77 ALA CA C 77 52.754 52.754 52.323 0.431 18612 3229 1 5 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.686 0.055 18612 3230 1 5 . 1 1 77 77 ALA H H 77 9.004 9.004 8.583 0.421 18612 3231 1 5 . 1 1 78 78 GLN N N 78 116.290 116.290 118.338 -2.048 18612 3232 1 5 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.243 0.200 18612 3233 1 5 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.479 1.151 18612 3234 1 5 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.366 1.187 18612 3235 1 5 . 1 1 78 78 GLN H H 78 7.985 7.985 8.316 -0.331 18612 3236 1 5 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.435 0.128 18612 3237 1 5 . 1 1 81 81 LEU CA C 81 47.000 47.000 55.212 -8.212 18612 3238 1 5 . 1 1 81 81 LEU CB C 81 41.021 41.021 40.921 0.100 18612 3239 1 5 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.378 0.420 18612 3240 1 5 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.019 -0.113 18612 3241 1 5 . 1 1 85 85 ARG N N 85 119.948 119.948 119.835 0.113 18612 3242 1 5 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.019 -0.148 18612 3243 1 5 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.754 0.926 18612 3244 1 5 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.977 1.944 18612 3245 1 5 . 1 1 85 85 ARG H H 85 8.229 8.229 7.979 0.250 18612 3246 1 5 . 1 1 86 86 LEU N N 86 120.227 120.227 119.735 0.492 18612 3247 1 5 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.990 -0.164 18612 3248 1 5 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.191 -0.001 18612 3249 1 5 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.864 -0.276 18612 3250 1 5 . 1 1 86 86 LEU H H 86 8.459 8.459 8.579 -0.120 18612 3251 1 5 . 1 1 87 87 LYS N N 87 120.470 120.470 119.888 0.582 18612 3252 1 5 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.045 -0.024 18612 3253 1 5 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.139 0.241 18612 3254 1 5 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.139 0.759 18612 3255 1 5 . 1 1 87 87 LYS H H 87 7.945 7.945 7.729 0.216 18612 3256 1 5 . 1 1 88 88 LEU N N 88 119.799 119.799 120.716 -0.917 18612 3257 1 5 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.027 0.180 18612 3258 1 5 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.614 -0.934 18612 3259 1 5 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.126 -0.901 18612 3260 1 5 . 1 1 88 88 LEU H H 88 7.547 7.547 7.815 -0.268 18612 3261 1 5 . 1 1 89 89 VAL N N 89 118.828 118.828 118.339 0.489 18612 3262 1 5 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.529 -0.211 18612 3263 1 5 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.772 0.978 18612 3264 1 5 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.755 -0.377 18612 3265 1 5 . 1 1 89 89 VAL H H 89 8.347 8.347 8.481 -0.134 18612 3266 1 5 . 1 1 90 90 SER N N 90 114.835 114.835 116.140 -1.305 18612 3267 1 5 . 1 1 90 90 SER HA H 90 4.207 4.207 4.110 0.097 18612 3268 1 5 . 1 1 90 90 SER CA C 90 62.000 62.000 62.408 -0.408 18612 3269 1 5 . 1 1 90 90 SER CB C 90 62.770 62.770 62.721 0.049 18612 3270 1 5 . 1 1 90 90 SER H H 90 7.942 7.942 7.757 0.185 18612 3271 1 5 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.034 0.009 18612 3272 1 5 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.728 -0.288 18612 3273 1 5 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.782 0.452 18612 3274 1 5 . 1 1 92 92 LEU N N 92 119.720 119.720 119.617 0.103 18612 3275 1 5 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.938 0.010 18612 3276 1 5 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.010 0.110 18612 3277 1 5 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.869 -1.293 18612 3278 1 5 . 1 1 92 92 LEU H H 92 8.379 8.379 8.239 0.140 18612 3279 1 5 . 1 1 93 93 GLN N N 93 120.938 120.938 120.586 0.352 18612 3280 1 5 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.480 0.073 18612 3281 1 5 . 1 1 93 93 GLN CA C 93 59.050 59.050 59.191 -0.141 18612 3282 1 5 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.674 -0.694 18612 3283 1 5 . 1 1 93 93 GLN H H 93 8.751 8.751 8.591 0.160 18612 3284 1 5 . 1 1 94 94 ASP N N 94 122.442 122.442 119.796 2.646 18612 3285 1 5 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.505 -0.046 18612 3286 1 5 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.397 0.703 18612 3287 1 5 . 1 1 94 94 ASP CB C 94 40.261 40.261 40.706 -0.445 18612 3288 1 5 . 1 1 94 94 ASP H H 94 8.470 8.470 8.343 0.127 18612 3289 1 5 . 1 1 95 95 ALA N N 95 120.437 120.437 120.827 -0.390 18612 3290 1 5 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.355 0.157 18612 3291 1 5 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.468 -1.723 18612 3292 1 5 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.476 0.544 18612 3293 1 5 . 1 1 95 95 ALA H H 95 7.340 7.340 8.051 -0.711 18612 3294 1 5 . 1 1 96 96 GLY N N 96 106.865 106.865 106.117 0.748 18612 3295 1 5 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.976 0.314 18612 3296 1 5 . 1 1 96 96 GLY H H 96 7.987 7.987 7.552 0.435 18612 3297 1 5 . 1 1 97 97 ILE N N 97 122.489 122.489 115.193 7.296 18612 3298 1 5 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.481 -0.227 18612 3299 1 5 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.576 0.074 18612 3300 1 5 . 1 1 97 97 ILE CB C 97 37.973 37.973 40.861 -2.888 18612 3301 1 5 . 1 1 97 97 ILE H H 97 8.062 8.062 8.221 -0.159 18612 3302 1 5 . 1 1 98 98 LYS N N 98 127.459 127.459 123.090 4.369 18612 3303 1 5 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.269 0.238 18612 3304 1 5 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.836 -0.915 18612 3305 1 5 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.575 -0.141 18612 3306 1 5 . 1 1 98 98 LYS H H 98 8.574 8.574 8.418 0.156 18612 3307 1 5 . 1 1 99 99 ALA N N 99 130.423 130.423 128.656 1.767 18612 3308 1 5 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.664 1.100 18612 3309 1 5 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.857 -1.646 18612 3310 1 5 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.336 3.534 18612 3311 1 5 . 1 1 99 99 ALA H H 99 7.813 7.813 8.343 -0.530 18612 3312 1 5 . 1 1 100 100 GLU N N 100 118.988 118.988 117.023 1.965 18612 3313 1 5 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.712 0.123 18612 3314 1 5 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.179 -0.473 18612 3315 1 5 . 1 1 100 100 GLU CB C 100 35.921 35.921 34.365 1.556 18612 3316 1 5 . 1 1 100 100 GLU H H 100 8.226 8.226 7.924 0.302 18612 3317 1 5 . 1 1 101 101 LEU N N 101 120.024 120.024 121.145 -1.121 18612 3318 1 5 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.463 0.251 18612 3319 1 5 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.411 0.349 18612 3320 1 5 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.470 -0.386 18612 3321 1 5 . 1 1 101 101 LEU H H 101 8.478 8.478 8.434 0.044 18612 3322 1 5 . 1 1 102 102 LEU N N 102 118.623 118.623 124.536 -5.913 18612 3323 1 5 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.363 -0.329 18612 3324 1 5 . 1 1 102 102 LEU CA C 102 58.460 58.460 55.315 3.145 18612 3325 1 5 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.102 -3.877 18612 3326 1 5 . 1 1 102 102 LEU H H 102 8.763 8.763 8.408 0.355 18612 3327 1 5 . 1 1 103 103 TYR N N 103 115.970 115.970 112.628 3.342 18612 3328 1 5 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.110 0.472 18612 3329 1 5 . 1 1 103 103 TYR CA C 103 55.973 55.973 58.286 -2.313 18612 3330 1 5 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.491 3.241 18612 3331 1 5 . 1 1 103 103 TYR H H 103 7.378 7.378 7.916 -0.538 18612 3332 1 5 . 1 1 104 104 LYS N N 104 120.577 120.577 121.376 -0.799 18612 3333 1 5 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.076 0.063 18612 3334 1 5 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.188 -0.708 18612 3335 1 5 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.065 1.857 18612 3336 1 5 . 1 1 104 104 LYS H H 104 7.906 7.906 8.224 -0.318 18612 3337 1 5 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.052 -0.023 18612 3338 1 5 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.143 -0.144 18612 3339 1 5 . 1 1 113 113 LEU N N 113 120.147 120.147 120.332 -0.185 18612 3340 1 5 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.241 -0.258 18612 3341 1 5 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.551 0.869 18612 3342 1 5 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.132 -0.539 18612 3343 1 5 . 1 1 113 113 LEU H H 113 8.365 8.365 7.692 0.673 18612 3344 1 5 . 1 1 114 114 GLN N N 114 119.995 119.995 118.864 1.131 18612 3345 1 5 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.973 0.064 18612 3346 1 5 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.655 -0.685 18612 3347 1 5 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.546 -0.356 18612 3348 1 5 . 1 1 114 114 GLN H H 114 8.126 8.126 8.079 0.047 18612 3349 1 5 . 1 1 115 115 TYR N N 115 120.358 120.358 119.707 0.651 18612 3350 1 5 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.256 0.039 18612 3351 1 5 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.606 -0.576 18612 3352 1 5 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.743 -0.974 18612 3353 1 5 . 1 1 115 115 TYR H H 115 7.819 7.819 7.951 -0.132 18612 3354 1 5 . 1 1 116 116 CYS N N 116 116.264 116.264 118.752 -2.488 18612 3355 1 5 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.107 -0.291 18612 3356 1 5 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.464 2.766 18612 3357 1 5 . 1 1 116 116 CYS CB C 116 27.320 27.320 26.925 0.395 18612 3358 1 5 . 1 1 116 116 CYS H H 116 7.710 7.710 8.061 -0.351 18612 3359 1 5 . 1 1 117 117 GLU N N 117 119.526 119.526 119.508 0.018 18612 3360 1 5 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.056 -0.208 18612 3361 1 5 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.396 -0.246 18612 3362 1 5 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.635 0.065 18612 3363 1 5 . 1 1 117 117 GLU H H 117 7.912 7.912 8.426 -0.514 18612 3364 1 5 . 1 1 118 118 GLU N N 118 119.875 119.875 118.425 1.450 18612 3365 1 5 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.154 -0.185 18612 3366 1 5 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.114 0.666 18612 3367 1 5 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.947 -0.137 18612 3368 1 5 . 1 1 118 118 GLU H H 118 7.988 7.988 7.824 0.164 18612 3369 1 5 . 1 1 119 119 ALA N N 119 119.118 119.118 121.617 -2.499 18612 3370 1 5 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.228 -0.062 18612 3371 1 5 . 1 1 119 119 ALA CA C 119 52.654 52.654 51.343 1.311 18612 3372 1 5 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.313 0.767 18612 3373 1 5 . 1 1 119 119 ALA H H 119 8.137 8.137 7.420 0.717 18612 3374 1 5 . 1 1 120 120 GLY N N 120 106.604 106.604 108.399 -1.795 18612 3375 1 5 . 1 1 120 120 GLY CA C 120 46.377 46.377 46.227 0.150 18612 3376 1 5 . 1 1 120 120 GLY H H 120 7.550 7.550 7.510 0.040 18612 3377 1 5 . 1 1 121 121 ILE N N 121 124.026 124.026 123.241 0.785 18612 3378 1 5 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.279 -0.268 18612 3379 1 5 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.424 1.626 18612 3380 1 5 . 1 1 121 121 ILE CB C 121 40.051 40.051 38.268 1.783 18612 3381 1 5 . 1 1 121 121 ILE H H 121 7.918 7.918 7.712 0.206 18612 3382 1 5 . 1 1 123 123 LEU N N 123 119.541 119.541 122.100 -2.559 18612 3383 1 5 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.743 0.760 18612 3384 1 5 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.413 -0.728 18612 3385 1 5 . 1 1 123 123 LEU CB C 123 47.057 47.057 41.335 5.722 18612 3386 1 5 . 1 1 123 123 LEU H H 123 6.973 6.973 8.592 -1.619 18612 3387 1 5 . 1 1 124 124 VAL N N 124 119.580 119.580 120.270 -0.690 18612 3388 1 5 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.027 0.009 18612 3389 1 5 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.075 -0.495 18612 3390 1 5 . 1 1 124 124 VAL CB C 124 35.257 35.257 34.832 0.425 18612 3391 1 5 . 1 1 124 124 VAL H H 124 8.823 8.823 7.892 0.931 18612 3392 1 5 . 1 1 125 125 ALA N N 125 130.810 130.810 127.795 3.015 18612 3393 1 5 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.200 -0.044 18612 3394 1 5 . 1 1 125 125 ALA CA C 125 49.195 49.195 49.969 -0.774 18612 3395 1 5 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.022 -0.962 18612 3396 1 5 . 1 1 125 125 ALA H H 125 9.083 9.083 8.900 0.183 18612 3397 1 5 . 1 1 126 126 ILE N N 126 124.925 124.925 126.754 -1.829 18612 3398 1 5 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.149 -0.646 18612 3399 1 5 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.319 0.641 18612 3400 1 5 . 1 1 126 126 ILE CB C 126 39.805 39.805 39.377 0.429 18612 3401 1 5 . 1 1 126 126 ILE H H 126 9.564 9.564 8.681 0.883 18612 3402 1 5 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.482 0.161 18612 3403 1 5 . 1 1 127 127 ILE CA C 127 59.440 59.440 59.894 -0.454 18612 3404 1 5 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.907 1.095 18612 3405 1 5 . 1 1 129 129 GLU N N 129 121.547 121.547 117.687 3.860 18612 3406 1 5 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.307 -0.359 18612 3407 1 5 . 1 1 129 129 GLU CA C 129 60.400 60.400 56.935 3.465 18612 3408 1 5 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.957 0.345 18612 3409 1 5 . 1 1 129 129 GLU H H 129 9.035 9.035 8.018 1.017 18612 3410 1 5 . 1 1 130 130 GLN N N 130 120.221 120.221 120.341 -0.120 18612 3411 1 5 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.084 -0.207 18612 3412 1 5 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.531 -1.111 18612 3413 1 5 . 1 1 130 130 GLN CB C 130 28.400 28.400 29.196 -0.796 18612 3414 1 5 . 1 1 130 130 GLN H H 130 8.914 8.914 8.524 0.390 18612 3415 1 5 . 1 1 131 131 GLU N N 131 120.680 120.680 118.948 1.732 18612 3416 1 5 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.141 -0.202 18612 3417 1 5 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.929 2.281 18612 3418 1 5 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.869 -0.699 18612 3419 1 5 . 1 1 131 131 GLU H H 131 8.871 8.871 8.386 0.485 18612 3420 1 5 . 1 1 132 132 LEU N N 132 118.303 118.303 120.140 -1.837 18612 3421 1 5 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.218 0.144 18612 3422 1 5 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.234 -1.118 18612 3423 1 5 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.303 0.520 18612 3424 1 5 . 1 1 132 132 LEU H H 132 8.152 8.152 8.213 -0.061 18612 3425 1 5 . 1 1 133 133 LYS N N 133 120.924 120.924 118.240 2.684 18612 3426 1 5 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.005 0.076 18612 3427 1 5 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.679 0.901 18612 3428 1 5 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.354 0.118 18612 3429 1 5 . 1 1 133 133 LYS H H 133 7.631 7.631 7.448 0.183 18612 3430 1 5 . 1 1 134 134 ASP N N 134 118.256 118.256 116.103 2.153 18612 3431 1 5 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.615 0.054 18612 3432 1 5 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.132 0.019 18612 3433 1 5 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.507 -0.126 18612 3434 1 5 . 1 1 134 134 ASP H H 134 7.985 7.985 7.902 0.083 18612 3435 1 5 . 1 1 135 135 GLY N N 135 109.383 109.383 106.399 2.984 18612 3436 1 5 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.098 1.465 18612 3437 1 5 . 1 1 135 135 GLY H H 135 8.019 8.019 7.662 0.357 18612 3438 1 5 . 1 1 136 136 VAL N N 136 117.112 117.112 122.200 -5.088 18612 3439 1 5 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.930 0.973 18612 3440 1 5 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.457 -3.507 18612 3441 1 5 . 1 1 136 136 VAL CB C 136 35.885 35.885 32.893 2.992 18612 3442 1 5 . 1 1 136 136 VAL H H 136 8.229 8.229 8.343 -0.114 18612 3443 1 5 . 1 1 137 137 ILE N N 137 121.971 121.971 123.597 -1.626 18612 3444 1 5 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.338 -0.164 18612 3445 1 5 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.817 -1.257 18612 3446 1 5 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.779 1.010 18612 3447 1 5 . 1 1 137 137 ILE H H 137 8.975 8.975 8.450 0.525 18612 3448 1 5 . 1 1 138 138 LYS N N 138 126.613 126.613 126.217 0.396 18612 3449 1 5 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.187 -0.263 18612 3450 1 5 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.001 0.714 18612 3451 1 5 . 1 1 138 138 LYS CB C 138 33.217 33.217 35.316 -2.099 18612 3452 1 5 . 1 1 138 138 LYS H H 138 7.726 7.726 8.445 -0.719 18612 3453 1 5 . 1 1 139 139 LEU N N 139 129.177 129.177 122.437 6.740 18612 3454 1 5 . 1 1 139 139 LEU HA H 139 5.203 5.203 5.363 -0.160 18612 3455 1 5 . 1 1 139 139 LEU CA C 139 53.290 53.290 52.670 0.620 18612 3456 1 5 . 1 1 139 139 LEU CB C 139 44.760 44.760 46.568 -1.808 18612 3457 1 5 . 1 1 139 139 LEU H H 139 9.404 9.404 8.873 0.531 18612 3458 1 5 . 1 1 140 140 ARG N N 140 128.243 128.243 119.634 8.609 18612 3459 1 5 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.791 0.471 18612 3460 1 5 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.913 -2.228 18612 3461 1 5 . 1 1 140 140 ARG CB C 140 27.990 27.990 33.520 -5.530 18612 3462 1 5 . 1 1 140 140 ARG H H 140 9.540 9.540 8.195 1.345 18612 3463 1 5 . 1 1 142 142 VAL N N 142 129.670 129.670 123.865 5.805 18612 3464 1 5 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.676 -0.129 18612 3465 1 5 . 1 1 142 142 VAL CA C 142 65.950 65.950 66.235 -0.285 18612 3466 1 5 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.529 1.159 18612 3467 1 5 . 1 1 142 142 VAL H H 142 8.336 8.336 8.095 0.241 18612 3468 1 5 . 1 1 143 143 THR N N 143 111.061 111.061 114.966 -3.905 18612 3469 1 5 . 1 1 143 143 THR HA H 143 4.157 4.157 4.067 0.090 18612 3470 1 5 . 1 1 143 143 THR CA C 143 69.400 69.400 64.955 4.445 18612 3471 1 5 . 1 1 143 143 THR CB C 143 70.020 70.020 68.825 1.195 18612 3472 1 5 . 1 1 143 143 THR H H 143 8.248 8.248 8.409 -0.161 18612 3473 1 5 . 1 1 144 144 SER N N 144 115.158 115.158 116.134 -0.976 18612 3474 1 5 . 1 1 144 144 SER HA H 144 4.514 4.514 4.412 0.102 18612 3475 1 5 . 1 1 144 144 SER CA C 144 58.370 58.370 60.396 -2.026 18612 3476 1 5 . 1 1 144 144 SER CB C 144 64.500 64.500 63.347 1.153 18612 3477 1 5 . 1 1 144 144 SER H H 144 7.812 7.812 8.066 -0.254 18612 3478 1 5 . 1 1 145 145 ARG N N 145 116.527 116.527 120.094 -3.567 18612 3479 1 5 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.520 -0.694 18612 3480 1 5 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.248 2.052 18612 3481 1 5 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.051 -3.851 18612 3482 1 5 . 1 1 145 145 ARG H H 145 7.836 7.836 7.932 -0.096 18612 3483 1 5 . 1 1 146 146 GLU N N 146 119.889 119.889 116.196 3.693 18612 3484 1 5 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.387 -0.118 18612 3485 1 5 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.089 -0.159 18612 3486 1 5 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.697 -0.059 18612 3487 1 5 . 1 1 146 146 GLU H H 146 7.675 7.675 8.339 -0.664 18612 3488 1 5 . 1 1 147 147 GLU N N 147 124.286 124.286 119.420 4.866 18612 3489 1 5 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.951 0.368 18612 3490 1 5 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.049 -0.114 18612 3491 1 5 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.658 0.082 18612 3492 1 5 . 1 1 147 147 GLU H H 147 8.602 8.602 8.141 0.461 18612 3493 1 5 . 1 1 148 148 VAL N N 148 120.587 120.587 120.602 -0.015 18612 3494 1 5 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.450 0.084 18612 3495 1 5 . 1 1 148 148 VAL CA C 148 59.660 59.660 58.831 0.829 18612 3496 1 5 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.780 -0.090 18612 3497 1 5 . 1 1 148 148 VAL H H 148 8.536 8.536 8.132 0.404 18612 3498 1 5 . 1 1 149 149 ASP N N 149 125.031 125.031 124.856 0.175 18612 3499 1 5 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.916 0.238 18612 3500 1 5 . 1 1 149 149 ASP CA C 149 53.913 53.913 52.777 1.136 18612 3501 1 5 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.648 -1.867 18612 3502 1 5 . 1 1 149 149 ASP H H 149 8.411 8.411 8.269 0.142 18612 3503 1 5 . 1 1 150 150 VAL N N 150 123.264 123.264 117.568 5.696 18612 3504 1 5 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.644 -0.244 18612 3505 1 5 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.086 0.554 18612 3506 1 5 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.236 -0.211 18612 3507 1 5 . 1 1 150 150 VAL H H 150 9.061 9.061 8.945 0.116 18612 3508 1 5 . 1 1 151 151 ARG N N 151 125.112 125.112 120.997 4.115 18612 3509 1 5 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.636 -0.228 18612 3510 1 5 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.267 1.843 18612 3511 1 5 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.636 -0.746 18612 3512 1 5 . 1 1 151 151 ARG H H 151 9.048 9.048 8.579 0.469 18612 3513 1 5 . 1 1 152 152 ARG N N 152 124.828 124.828 118.436 6.392 18612 3514 1 5 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.840 -0.174 18612 3515 1 5 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.659 0.371 18612 3516 1 5 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.333 1.677 18612 3517 1 5 . 1 1 152 152 ARG H H 152 8.582 8.582 8.771 -0.189 18612 3518 1 5 . 1 1 153 153 GLU N N 153 116.730 116.730 119.054 -2.324 18612 3519 1 5 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.056 0.144 18612 3520 1 5 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.446 -0.476 18612 3521 1 5 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.440 -0.860 18612 3522 1 5 . 1 1 153 153 GLU H H 153 9.924 9.924 8.064 1.860 18612 3523 1 5 . 1 1 154 154 ASP N N 154 119.318 119.318 118.057 1.261 18612 3524 1 5 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.461 0.557 18612 3525 1 5 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.839 -2.446 18612 3526 1 5 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.417 1.873 18612 3527 1 5 . 1 1 154 154 ASP H H 154 7.758 7.758 8.368 -0.610 18612 3528 1 5 . 1 1 155 155 LEU N N 155 121.863 121.863 121.033 0.830 18612 3529 1 5 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.026 -0.211 18612 3530 1 5 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.976 1.194 18612 3531 1 5 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.923 0.705 18612 3532 1 5 . 1 1 155 155 LEU H H 155 7.315 7.315 7.632 -0.317 18612 3533 1 5 . 1 1 156 156 VAL N N 156 118.555 118.555 118.226 0.329 18612 3534 1 5 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.591 -0.336 18612 3535 1 5 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.849 0.811 18612 3536 1 5 . 1 1 156 156 VAL CB C 156 31.230 31.230 30.964 0.266 18612 3537 1 5 . 1 1 156 156 VAL H H 156 8.490 8.490 7.761 0.729 18612 3538 1 5 . 1 1 157 157 GLU N N 157 118.568 118.568 119.478 -0.910 18612 3539 1 5 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.026 -0.116 18612 3540 1 5 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.645 -0.225 18612 3541 1 5 . 1 1 157 157 GLU H H 157 8.138 8.138 7.856 0.282 18612 3542 1 5 . 1 1 158 158 GLU N N 158 118.484 118.484 120.753 -2.269 18612 3543 1 5 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.116 0.024 18612 3544 1 5 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.209 -1.919 18612 3545 1 5 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.311 0.163 18612 3546 1 5 . 1 1 158 158 GLU H H 158 8.138 8.138 8.255 -0.117 18612 3547 1 5 . 1 1 159 159 ILE N N 159 119.508 119.508 120.025 -0.517 18612 3548 1 5 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.691 -0.263 18612 3549 1 5 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.613 0.277 18612 3550 1 5 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.826 -7.826 18612 3551 1 5 . 1 1 159 159 ILE H H 159 8.482 8.482 7.808 0.674 18612 3552 1 5 . 1 1 160 160 LYS N N 160 121.513 121.513 119.770 1.743 18612 3553 1 5 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.930 -0.152 18612 3554 1 5 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.754 1.096 18612 3555 1 5 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.308 -0.058 18612 3556 1 5 . 1 1 160 160 LYS H H 160 8.424 8.424 7.838 0.586 18612 3557 1 5 . 1 1 161 161 ARG N N 161 118.966 118.966 116.731 2.235 18612 3558 1 5 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.123 -0.054 18612 3559 1 5 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.840 0.490 18612 3560 1 5 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.410 0.482 18612 3561 1 5 . 1 1 161 161 ARG H H 161 8.248 8.248 7.717 0.531 18612 3562 1 5 . 1 1 162 162 ARG N N 162 117.033 117.033 119.057 -2.024 18612 3563 1 5 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.102 0.140 18612 3564 1 5 . 1 1 162 162 ARG CA C 162 58.058 58.058 59.005 -0.947 18612 3565 1 5 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.309 1.481 18612 3566 1 5 . 1 1 162 162 ARG H H 162 7.811 7.811 8.099 -0.288 18612 3567 1 5 . 1 1 163 163 THR N N 163 108.588 108.588 111.950 -3.362 18612 3568 1 5 . 1 1 163 163 THR HA H 163 4.549 4.549 4.514 0.035 18612 3569 1 5 . 1 1 163 163 THR CA C 163 61.820 61.820 62.302 -0.482 18612 3570 1 5 . 1 1 163 163 THR CB C 163 70.020 70.020 68.327 1.693 18612 3571 1 5 . 1 1 163 163 THR H H 163 7.831 7.831 7.840 -0.009 18612 3572 1 5 . 1 1 164 164 GLY N N 164 110.640 110.640 111.189 -0.549 18612 3573 1 5 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.652 0.061 18612 3574 1 5 . 1 1 164 164 GLY H H 164 7.847 7.847 7.886 -0.038 18612 3575 1 5 . 1 1 165 165 GLN N N 165 120.993 120.993 118.810 2.183 18612 3576 1 5 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.570 -0.628 18612 3577 1 5 . 1 1 165 165 GLN CA C 165 56.077 56.077 54.043 2.034 18612 3578 1 5 . 1 1 165 165 GLN CB C 165 29.569 29.569 31.061 -1.492 18612 3579 1 5 . 1 1 165 165 GLN H H 165 8.141 8.141 7.700 0.441 18612 3580 1 5 . 1 1 167 167 LEU N N 167 122.540 122.540 123.683 -1.143 18612 3581 1 5 . 1 1 167 167 LEU H H 167 8.370 8.370 8.248 0.122 18612 3582 1 5 . 1 1 168 168 SER N N 168 116.635 116.635 117.525 -0.890 18612 3583 1 5 . 1 1 168 168 SER H H 168 8.269 8.269 8.718 -0.449 18612 3584 1 5 . 1 1 169 169 ILE N N 169 122.767 122.767 116.846 5.921 18612 3585 1 5 . 1 1 169 169 ILE H H 169 8.165 8.165 7.518 0.647 18612 3586 1 6 . 1 1 2 2 GLU N N 2 120.329 120.329 120.191 0.138 18612 3587 1 6 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.455 -0.313 18612 3588 1 6 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.447 2.623 18612 3589 1 6 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.724 -1.224 18612 3590 1 6 . 1 1 2 2 GLU H H 2 8.498 8.498 8.533 -0.035 18612 3591 1 6 . 1 1 3 3 ARG N N 3 121.547 121.547 120.406 1.141 18612 3592 1 6 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.971 0.053 18612 3593 1 6 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.426 -0.186 18612 3594 1 6 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.149 -0.199 18612 3595 1 6 . 1 1 3 3 ARG H H 3 8.238 8.238 8.516 -0.278 18612 3596 1 6 . 1 1 4 4 ALA N N 4 121.449 121.449 121.304 0.145 18612 3597 1 6 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.119 0.084 18612 3598 1 6 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.929 0.110 18612 3599 1 6 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.962 -0.052 18612 3600 1 6 . 1 1 4 4 ALA H H 4 8.068 8.068 8.512 -0.444 18612 3601 1 6 . 1 1 5 5 ALA N N 5 121.000 121.000 121.401 -0.401 18612 3602 1 6 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.161 0.057 18612 3603 1 6 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.820 -0.077 18612 3604 1 6 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.199 0.211 18612 3605 1 6 . 1 1 5 5 ALA H H 5 7.831 7.831 8.173 -0.342 18612 3606 1 6 . 1 1 6 6 LEU N N 6 121.402 121.402 117.679 3.723 18612 3607 1 6 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.111 0.050 18612 3608 1 6 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.072 -0.122 18612 3609 1 6 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.405 0.636 18612 3610 1 6 . 1 1 6 6 LEU H H 6 7.919 7.919 7.810 0.109 18612 3611 1 6 . 1 1 7 7 GLU N N 7 119.203 119.203 120.362 -1.159 18612 3612 1 6 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.904 -0.046 18612 3613 1 6 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.326 -0.096 18612 3614 1 6 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.627 -0.087 18612 3615 1 6 . 1 1 7 7 GLU H H 7 8.706 8.706 8.628 0.078 18612 3616 1 6 . 1 1 8 8 GLU N N 8 120.194 120.194 118.315 1.879 18612 3617 1 6 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.139 0.056 18612 3618 1 6 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.675 0.495 18612 3619 1 6 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.235 0.225 18612 3620 1 6 . 1 1 8 8 GLU H H 8 7.761 7.761 7.968 -0.207 18612 3621 1 6 . 1 1 9 9 LEU N N 9 120.526 120.526 121.748 -1.222 18612 3622 1 6 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.071 0.093 18612 3623 1 6 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.043 0.077 18612 3624 1 6 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.179 -0.391 18612 3625 1 6 . 1 1 9 9 LEU H H 9 7.913 7.913 7.670 0.243 18612 3626 1 6 . 1 1 10 10 VAL N N 10 120.804 120.804 119.292 1.512 18612 3627 1 6 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.586 -0.129 18612 3628 1 6 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.189 0.841 18612 3629 1 6 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.635 0.412 18612 3630 1 6 . 1 1 10 10 VAL H H 10 8.570 8.570 8.581 -0.011 18612 3631 1 6 . 1 1 11 11 LYS N N 11 123.175 123.175 120.406 2.769 18612 3632 1 6 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.918 0.126 18612 3633 1 6 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.235 -0.365 18612 3634 1 6 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.505 -0.113 18612 3635 1 6 . 1 1 11 11 LYS H H 11 7.909 7.909 7.730 0.179 18612 3636 1 6 . 1 1 12 12 LEU N N 12 120.772 120.772 115.840 4.932 18612 3637 1 6 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.141 -0.035 18612 3638 1 6 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.936 -0.016 18612 3639 1 6 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.103 0.734 18612 3640 1 6 . 1 1 12 12 LEU H H 12 8.436 8.436 7.769 0.667 18612 3641 1 6 . 1 1 13 13 GLN N N 13 121.677 121.677 120.283 1.394 18612 3642 1 6 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.065 0.269 18612 3643 1 6 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.582 -2.182 18612 3644 1 6 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.441 -1.921 18612 3645 1 6 . 1 1 13 13 GLN H H 13 8.710 8.710 7.882 0.828 18612 3646 1 6 . 1 1 14 14 GLY N N 14 109.543 109.543 107.136 2.407 18612 3647 1 6 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.786 0.777 18612 3648 1 6 . 1 1 14 14 GLY H H 14 8.714 8.714 8.719 -0.005 18612 3649 1 6 . 1 1 15 15 GLU N N 15 123.144 123.144 121.991 1.153 18612 3650 1 6 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.008 0.140 18612 3651 1 6 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.945 -0.975 18612 3652 1 6 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.549 -0.089 18612 3653 1 6 . 1 1 15 15 GLU H H 15 7.913 7.913 7.933 -0.020 18612 3654 1 6 . 1 1 16 16 ARG N N 16 123.135 123.135 118.901 4.234 18612 3655 1 6 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.201 -0.063 18612 3656 1 6 . 1 1 16 16 ARG CA C 16 58.970 58.970 58.955 0.015 18612 3657 1 6 . 1 1 16 16 ARG CB C 16 29.400 29.400 29.953 -0.553 18612 3658 1 6 . 1 1 16 16 ARG H H 16 8.104 8.104 7.876 0.228 18612 3659 1 6 . 1 1 17 17 VAL N N 17 119.501 119.501 121.010 -1.509 18612 3660 1 6 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.716 -0.303 18612 3661 1 6 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.286 1.164 18612 3662 1 6 . 1 1 17 17 VAL CB C 17 32.058 32.058 32.087 -0.029 18612 3663 1 6 . 1 1 17 17 VAL H H 17 8.192 8.192 8.114 0.078 18612 3664 1 6 . 1 1 18 18 ARG N N 18 119.372 119.372 118.558 0.814 18612 3665 1 6 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.105 -0.171 18612 3666 1 6 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.730 0.330 18612 3667 1 6 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.801 0.471 18612 3668 1 6 . 1 1 18 18 ARG H H 18 7.980 7.980 8.489 -0.509 18612 3669 1 6 . 1 1 19 19 GLY N N 19 107.241 107.241 107.462 -0.221 18612 3670 1 6 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.014 0.348 18612 3671 1 6 . 1 1 19 19 GLY H H 19 8.362 8.362 7.991 0.371 18612 3672 1 6 . 1 1 20 20 LEU N N 20 122.627 122.627 120.671 1.956 18612 3673 1 6 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.392 -0.343 18612 3674 1 6 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.309 0.581 18612 3675 1 6 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.912 0.508 18612 3676 1 6 . 1 1 20 20 LEU H H 20 8.049 8.049 8.387 -0.338 18612 3677 1 6 . 1 1 21 21 LYS N N 21 118.255 118.255 120.711 -2.456 18612 3678 1 6 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.885 0.173 18612 3679 1 6 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.600 0.410 18612 3680 1 6 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.265 0.329 18612 3681 1 6 . 1 1 21 21 LYS H H 21 8.123 8.123 8.004 0.119 18612 3682 1 6 . 1 1 22 22 GLN N N 22 121.183 121.183 117.149 4.034 18612 3683 1 6 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.186 -0.099 18612 3684 1 6 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.451 0.309 18612 3685 1 6 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.742 -0.142 18612 3686 1 6 . 1 1 22 22 GLN H H 22 8.234 8.234 7.734 0.500 18612 3687 1 6 . 1 1 23 23 GLN N N 23 116.219 116.219 118.382 -2.163 18612 3688 1 6 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.279 -0.016 18612 3689 1 6 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.417 -1.739 18612 3690 1 6 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.721 -0.452 18612 3691 1 6 . 1 1 23 23 GLN H H 23 7.820 7.820 7.828 -0.008 18612 3692 1 6 . 1 1 24 24 LYS N N 24 117.349 117.349 115.780 1.569 18612 3693 1 6 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.551 -0.639 18612 3694 1 6 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.444 1.585 18612 3695 1 6 . 1 1 24 24 LYS CB C 24 28.850 28.850 32.981 -4.131 18612 3696 1 6 . 1 1 24 24 LYS H H 24 7.884 7.884 8.145 -0.261 18612 3697 1 6 . 1 1 25 25 ALA N N 25 119.909 119.909 123.850 -3.941 18612 3698 1 6 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.185 0.094 18612 3699 1 6 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.440 -1.420 18612 3700 1 6 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.980 3.340 18612 3701 1 6 . 1 1 25 25 ALA H H 25 7.620 7.620 7.707 -0.087 18612 3702 1 6 . 1 1 26 26 SER N N 26 113.188 113.188 112.094 1.094 18612 3703 1 6 . 1 1 26 26 SER HA H 26 4.244 4.244 4.210 0.034 18612 3704 1 6 . 1 1 26 26 SER CA C 26 58.390 58.390 57.776 0.614 18612 3705 1 6 . 1 1 26 26 SER CB C 26 63.830 63.830 62.816 1.014 18612 3706 1 6 . 1 1 26 26 SER H H 26 8.228 8.228 8.422 -0.194 18612 3707 1 6 . 1 1 27 27 ALA N N 27 127.550 127.550 124.929 2.621 18612 3708 1 6 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.985 -0.001 18612 3709 1 6 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.985 0.597 18612 3710 1 6 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.603 0.167 18612 3711 1 6 . 1 1 27 27 ALA H H 27 8.769 8.769 8.629 0.140 18612 3712 1 6 . 1 1 28 28 GLU N N 28 117.317 117.317 118.417 -1.100 18612 3713 1 6 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.028 0.046 18612 3714 1 6 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.159 0.541 18612 3715 1 6 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.190 -0.110 18612 3716 1 6 . 1 1 28 28 GLU H H 28 8.830 8.830 8.530 0.300 18612 3717 1 6 . 1 1 29 29 LEU N N 29 122.971 122.971 119.829 3.142 18612 3718 1 6 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.491 -0.180 18612 3719 1 6 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.810 -0.240 18612 3720 1 6 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.929 -0.324 18612 3721 1 6 . 1 1 29 29 LEU H H 29 7.401 7.401 7.959 -0.558 18612 3722 1 6 . 1 1 30 30 ILE N N 30 118.784 118.784 120.501 -1.717 18612 3723 1 6 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.667 -0.270 18612 3724 1 6 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.076 1.234 18612 3725 1 6 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.564 0.259 18612 3726 1 6 . 1 1 30 30 ILE H H 30 8.019 8.019 8.760 -0.741 18612 3727 1 6 . 1 1 31 31 GLU N N 31 118.215 118.215 119.690 -1.475 18612 3728 1 6 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.963 0.005 18612 3729 1 6 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.985 -0.145 18612 3730 1 6 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.469 -0.029 18612 3731 1 6 . 1 1 31 31 GLU H H 31 8.367 8.367 8.465 -0.098 18612 3732 1 6 . 1 1 32 32 GLU N N 32 120.284 120.284 118.438 1.846 18612 3733 1 6 . 1 1 32 32 GLU HA H 32 4.154 4.154 3.979 0.175 18612 3734 1 6 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.487 -0.107 18612 3735 1 6 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.049 0.791 18612 3736 1 6 . 1 1 32 32 GLU H H 32 7.667 7.667 7.948 -0.281 18612 3737 1 6 . 1 1 33 33 GLU N N 33 120.010 120.010 119.827 0.183 18612 3738 1 6 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.139 0.079 18612 3739 1 6 . 1 1 33 33 GLU CA C 33 58.380 58.380 58.959 -0.579 18612 3740 1 6 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.409 -1.229 18612 3741 1 6 . 1 1 33 33 GLU H H 33 8.156 8.156 7.808 0.348 18612 3742 1 6 . 1 1 34 34 VAL N N 34 125.322 125.322 120.591 4.731 18612 3743 1 6 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.587 0.055 18612 3744 1 6 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.839 0.011 18612 3745 1 6 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.557 0.283 18612 3746 1 6 . 1 1 34 34 VAL H H 34 9.243 9.243 8.173 1.070 18612 3747 1 6 . 1 1 35 35 ALA N N 35 123.214 123.214 122.393 0.821 18612 3748 1 6 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.984 0.114 18612 3749 1 6 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.583 0.159 18612 3750 1 6 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.416 -1.166 18612 3751 1 6 . 1 1 35 35 ALA H H 35 8.160 8.160 8.452 -0.292 18612 3752 1 6 . 1 1 36 36 LYS N N 36 117.979 117.979 119.327 -1.348 18612 3753 1 6 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.059 -0.064 18612 3754 1 6 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.379 0.421 18612 3755 1 6 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.371 0.491 18612 3756 1 6 . 1 1 36 36 LYS H H 36 7.607 7.607 7.640 -0.033 18612 3757 1 6 . 1 1 37 37 LEU N N 37 120.957 120.957 121.795 -0.838 18612 3758 1 6 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.064 -0.061 18612 3759 1 6 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.929 0.581 18612 3760 1 6 . 1 1 37 37 LEU CB C 37 42.030 42.030 42.053 -0.023 18612 3761 1 6 . 1 1 37 37 LEU H H 37 7.762 7.762 8.461 -0.699 18612 3762 1 6 . 1 1 38 38 LEU N N 38 118.910 118.910 119.970 -1.060 18612 3763 1 6 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.896 0.080 18612 3764 1 6 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.328 -0.057 18612 3765 1 6 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.270 -0.312 18612 3766 1 6 . 1 1 38 38 LEU H H 38 8.636 8.636 8.040 0.596 18612 3767 1 6 . 1 1 39 39 LYS N N 39 120.804 120.804 119.003 1.801 18612 3768 1 6 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.968 0.112 18612 3769 1 6 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.599 -0.147 18612 3770 1 6 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.300 0.359 18612 3771 1 6 . 1 1 39 39 LYS H H 39 7.864 7.864 7.644 0.220 18612 3772 1 6 . 1 1 40 40 LEU N N 40 120.940 120.940 120.327 0.613 18612 3773 1 6 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.926 0.184 18612 3774 1 6 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.459 -0.519 18612 3775 1 6 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.894 1.192 18612 3776 1 6 . 1 1 40 40 LEU H H 40 7.831 7.831 8.241 -0.410 18612 3777 1 6 . 1 1 41 41 LYS N N 41 117.563 117.563 118.833 -1.270 18612 3778 1 6 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.947 -0.097 18612 3779 1 6 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.480 0.600 18612 3780 1 6 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.822 0.681 18612 3781 1 6 . 1 1 41 41 LYS H H 41 8.493 8.493 8.409 0.084 18612 3782 1 6 . 1 1 42 42 ALA N N 42 121.396 121.396 121.827 -0.431 18612 3783 1 6 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.124 0.065 18612 3784 1 6 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.559 -0.279 18612 3785 1 6 . 1 1 42 42 ALA CB C 42 17.900 17.900 17.990 -0.090 18612 3786 1 6 . 1 1 42 42 ALA H H 42 7.918 7.918 7.688 0.230 18612 3787 1 6 . 1 1 43 43 GLN N N 43 116.883 116.883 117.742 -0.859 18612 3788 1 6 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.094 0.042 18612 3789 1 6 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.381 -0.971 18612 3790 1 6 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.813 0.767 18612 3791 1 6 . 1 1 43 43 GLN H H 43 7.591 7.591 7.470 0.121 18612 3792 1 6 . 1 1 44 44 LEU N N 44 119.828 119.828 117.720 2.108 18612 3793 1 6 . 1 1 44 44 LEU HA H 44 4.208 4.208 3.879 0.329 18612 3794 1 6 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.887 -0.810 18612 3795 1 6 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.032 0.395 18612 3796 1 6 . 1 1 44 44 LEU H H 44 7.574 7.574 7.715 -0.141 18612 3797 1 6 . 1 1 45 45 GLY N N 45 106.906 106.906 106.317 0.589 18612 3798 1 6 . 1 1 45 45 GLY CA C 45 44.524 44.524 45.111 -0.587 18612 3799 1 6 . 1 1 45 45 GLY H H 45 7.687 7.687 7.613 0.074 18612 3800 1 6 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.746 -0.299 18612 3801 1 6 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.485 0.625 18612 3802 1 6 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.649 -0.219 18612 3803 1 6 . 1 1 47 47 ASP N N 47 121.060 121.060 119.512 1.548 18612 3804 1 6 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.927 -0.349 18612 3805 1 6 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.760 0.722 18612 3806 1 6 . 1 1 47 47 ASP CB C 47 41.003 41.003 43.305 -2.302 18612 3807 1 6 . 1 1 47 47 ASP H H 47 8.446 8.446 8.387 0.059 18612 3808 1 6 . 1 1 48 48 GLU N N 48 123.347 123.347 123.504 -0.157 18612 3809 1 6 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.312 -0.068 18612 3810 1 6 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.780 0.150 18612 3811 1 6 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.889 -0.342 18612 3812 1 6 . 1 1 48 48 GLU H H 48 8.577 8.577 8.672 -0.095 18612 3813 1 6 . 1 1 49 49 SER N N 49 116.751 116.751 115.845 0.906 18612 3814 1 6 . 1 1 49 49 SER HA H 49 4.349 4.349 4.204 0.145 18612 3815 1 6 . 1 1 49 49 SER CA C 49 59.380 59.380 60.404 -1.024 18612 3816 1 6 . 1 1 49 49 SER CB C 49 63.460 63.460 62.929 0.531 18612 3817 1 6 . 1 1 49 49 SER H H 49 8.399 8.399 8.501 -0.102 18612 3818 1 6 . 1 1 50 50 LYS N N 50 121.935 121.935 120.445 1.490 18612 3819 1 6 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.118 0.323 18612 3820 1 6 . 1 1 50 50 LYS CA C 50 56.520 56.520 58.170 -1.650 18612 3821 1 6 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.524 -2.069 18612 3822 1 6 . 1 1 50 50 LYS H H 50 8.058 8.058 8.277 -0.219 18612 3823 1 6 . 1 1 51 51 GLN N N 51 122.155 122.155 117.673 4.482 18612 3824 1 6 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.368 -0.165 18612 3825 1 6 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.370 0.839 18612 3826 1 6 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.879 0.909 18612 3827 1 6 . 1 1 51 51 GLN H H 51 8.273 8.273 7.716 0.557 18612 3828 1 6 . 1 1 52 52 LYS N N 52 122.761 122.761 120.999 1.762 18612 3829 1 6 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.554 -0.239 18612 3830 1 6 . 1 1 52 52 LYS CA C 52 56.480 56.480 54.988 1.492 18612 3831 1 6 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.679 -0.757 18612 3832 1 6 . 1 1 52 52 LYS H H 52 8.251 8.251 8.365 -0.114 18612 3833 1 6 . 1 1 53 53 PHE N N 53 121.326 121.326 116.587 4.739 18612 3834 1 6 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.182 0.462 18612 3835 1 6 . 1 1 53 53 PHE CA C 53 57.640 57.640 58.302 -0.662 18612 3836 1 6 . 1 1 53 53 PHE CB C 53 39.588 39.588 37.628 1.960 18612 3837 1 6 . 1 1 53 53 PHE H H 53 8.153 8.153 8.845 -0.692 18612 3838 1 6 . 1 1 54 54 VAL N N 54 122.941 122.941 121.262 1.679 18612 3839 1 6 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.249 -0.206 18612 3840 1 6 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.243 -0.263 18612 3841 1 6 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.721 1.460 18612 3842 1 6 . 1 1 54 54 VAL H H 54 7.960 7.960 7.942 0.018 18612 3843 1 6 . 1 1 55 55 LEU N N 55 126.751 126.751 123.607 3.144 18612 3844 1 6 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.703 -0.390 18612 3845 1 6 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.583 0.477 18612 3846 1 6 . 1 1 55 55 LEU CB C 55 42.315 42.315 43.294 -0.979 18612 3847 1 6 . 1 1 55 55 LEU H H 55 8.226 8.226 8.092 0.134 18612 3848 1 6 . 1 1 56 56 LYS N N 56 123.614 123.614 122.512 1.102 18612 3849 1 6 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.123 0.249 18612 3850 1 6 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.761 -0.849 18612 3851 1 6 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.095 0.096 18612 3852 1 6 . 1 1 56 56 LYS H H 56 8.320 8.320 8.559 -0.239 18612 3853 1 6 . 1 1 57 57 THR N N 57 115.794 115.794 118.959 -3.165 18612 3854 1 6 . 1 1 57 57 THR HA H 57 4.349 4.349 4.642 -0.293 18612 3855 1 6 . 1 1 57 57 THR CA C 57 58.960 58.960 60.725 -1.765 18612 3856 1 6 . 1 1 57 57 THR CB C 57 70.740 70.740 68.704 2.036 18612 3857 1 6 . 1 1 57 57 THR H H 57 7.892 7.892 8.258 -0.366 18612 3858 1 6 . 1 1 59 59 LYS N N 59 121.755 121.755 120.117 1.638 18612 3859 1 6 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.358 -0.131 18612 3860 1 6 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.898 0.622 18612 3861 1 6 . 1 1 59 59 LYS CB C 59 33.094 33.094 34.009 -0.915 18612 3862 1 6 . 1 1 59 59 LYS H H 59 8.300 8.300 8.056 0.244 18612 3863 1 6 . 1 1 60 60 ALA N N 60 125.263 125.263 123.654 1.609 18612 3864 1 6 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.377 -0.099 18612 3865 1 6 . 1 1 60 60 ALA CA C 60 52.864 52.864 53.572 -0.708 18612 3866 1 6 . 1 1 60 60 ALA CB C 60 18.980 18.980 18.794 0.186 18612 3867 1 6 . 1 1 60 60 ALA H H 60 8.290 8.290 8.466 -0.176 18612 3868 1 6 . 1 1 61 61 LEU N N 61 121.255 121.255 120.375 0.880 18612 3869 1 6 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.140 0.140 18612 3870 1 6 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.959 -0.374 18612 3871 1 6 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.737 0.508 18612 3872 1 6 . 1 1 61 61 LEU H H 61 8.144 8.144 7.688 0.456 18612 3873 1 6 . 1 1 62 62 GLU N N 62 121.401 121.401 117.344 4.057 18612 3874 1 6 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.087 0.189 18612 3875 1 6 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.360 0.570 18612 3876 1 6 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.968 0.267 18612 3877 1 6 . 1 1 62 62 GLU H H 62 8.266 8.266 8.098 0.168 18612 3878 1 6 . 1 1 64 64 LYS N N 64 120.575 120.575 124.742 -4.167 18612 3879 1 6 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.659 -0.415 18612 3880 1 6 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.445 0.640 18612 3881 1 6 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.231 -2.761 18612 3882 1 6 . 1 1 64 64 LYS H H 64 8.106 8.106 8.403 -0.297 18612 3883 1 6 . 1 1 65 65 ILE N N 65 122.492 122.492 120.930 1.562 18612 3884 1 6 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.211 -0.071 18612 3885 1 6 . 1 1 65 65 ILE CA C 65 61.180 61.180 62.793 -1.613 18612 3886 1 6 . 1 1 65 65 ILE CB C 65 38.550 38.550 38.587 -0.037 18612 3887 1 6 . 1 1 65 65 ILE H H 65 8.135 8.135 8.555 -0.420 18612 3888 1 6 . 1 1 66 66 ARG N N 66 125.714 125.714 118.563 7.151 18612 3889 1 6 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.530 -0.062 18612 3890 1 6 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.876 0.191 18612 3891 1 6 . 1 1 66 66 ARG CB C 66 31.026 31.026 31.483 -0.457 18612 3892 1 6 . 1 1 66 66 ARG H H 66 8.402 8.402 7.901 0.501 18612 3893 1 6 . 1 1 67 67 THR N N 67 115.622 115.622 113.224 2.398 18612 3894 1 6 . 1 1 67 67 THR HA H 67 4.445 4.445 4.366 0.079 18612 3895 1 6 . 1 1 67 67 THR CA C 67 61.650 61.650 62.409 -0.759 18612 3896 1 6 . 1 1 67 67 THR CB C 67 69.620 69.620 69.974 -0.354 18612 3897 1 6 . 1 1 67 67 THR H H 67 8.281 8.281 8.110 0.171 18612 3898 1 6 . 1 1 68 68 THR N N 68 116.774 116.774 116.594 0.180 18612 3899 1 6 . 1 1 68 68 THR HA H 68 4.503 4.503 4.621 -0.118 18612 3900 1 6 . 1 1 68 68 THR CA C 68 61.050 61.050 62.955 -1.905 18612 3901 1 6 . 1 1 68 68 THR CB C 68 69.210 69.210 69.430 -0.220 18612 3902 1 6 . 1 1 68 68 THR H H 68 8.076 8.076 8.532 -0.456 18612 3903 1 6 . 1 1 69 69 GLU N N 69 124.048 124.048 118.393 5.655 18612 3904 1 6 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.263 0.113 18612 3905 1 6 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.769 -0.369 18612 3906 1 6 . 1 1 69 69 GLU CB C 69 30.618 30.618 29.596 1.022 18612 3907 1 6 . 1 1 69 69 GLU H H 69 8.515 8.515 8.120 0.395 18612 3908 1 6 . 1 1 70 70 THR N N 70 118.988 118.988 111.791 7.197 18612 3909 1 6 . 1 1 70 70 THR HA H 70 3.741 3.741 4.045 -0.304 18612 3910 1 6 . 1 1 70 70 THR CA C 70 64.680 64.680 62.763 1.917 18612 3911 1 6 . 1 1 70 70 THR CB C 70 68.770 68.770 69.543 -0.773 18612 3912 1 6 . 1 1 70 70 THR H H 70 8.259 8.259 7.911 0.348 18612 3913 1 6 . 1 1 71 71 GLN N N 71 125.858 125.858 122.075 3.783 18612 3914 1 6 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.495 -0.201 18612 3915 1 6 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.923 0.477 18612 3916 1 6 . 1 1 71 71 GLN CB C 71 32.071 32.071 29.778 2.293 18612 3917 1 6 . 1 1 71 71 GLN H H 71 8.795 8.795 8.479 0.316 18612 3918 1 6 . 1 1 72 72 VAL N N 72 113.505 113.505 119.356 -5.851 18612 3919 1 6 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.775 0.123 18612 3920 1 6 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.616 -0.996 18612 3921 1 6 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.059 0.345 18612 3922 1 6 . 1 1 72 72 VAL H H 72 7.325 7.325 7.805 -0.480 18612 3923 1 6 . 1 1 73 73 LEU N N 73 128.725 128.725 125.236 3.489 18612 3924 1 6 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.829 0.263 18612 3925 1 6 . 1 1 73 73 LEU CA C 73 52.740 52.740 52.776 -0.036 18612 3926 1 6 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.566 -0.485 18612 3927 1 6 . 1 1 73 73 LEU H H 73 8.170 8.170 8.230 -0.060 18612 3928 1 6 . 1 1 74 74 VAL N N 74 127.634 127.634 126.163 1.471 18612 3929 1 6 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.264 0.502 18612 3930 1 6 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.988 1.102 18612 3931 1 6 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.253 -0.563 18612 3932 1 6 . 1 1 74 74 VAL H H 74 8.913 8.913 8.145 0.768 18612 3933 1 6 . 1 1 75 75 ALA N N 75 132.602 132.602 130.788 1.814 18612 3934 1 6 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.450 0.357 18612 3935 1 6 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.383 0.517 18612 3936 1 6 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.312 1.608 18612 3937 1 6 . 1 1 75 75 ALA H H 75 9.421 9.421 9.105 0.316 18612 3938 1 6 . 1 1 76 76 SER N N 76 111.274 111.274 113.644 -2.370 18612 3939 1 6 . 1 1 76 76 SER HA H 76 4.951 4.951 4.596 0.355 18612 3940 1 6 . 1 1 76 76 SER CA C 76 56.940 56.940 57.509 -0.569 18612 3941 1 6 . 1 1 76 76 SER CB C 76 65.960 65.960 65.466 0.493 18612 3942 1 6 . 1 1 76 76 SER H H 76 8.106 8.106 8.010 0.096 18612 3943 1 6 . 1 1 77 77 ALA N N 77 125.393 125.393 124.582 0.811 18612 3944 1 6 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.333 0.128 18612 3945 1 6 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.914 0.840 18612 3946 1 6 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.138 0.602 18612 3947 1 6 . 1 1 77 77 ALA H H 77 9.004 9.004 8.428 0.576 18612 3948 1 6 . 1 1 78 78 GLN N N 78 116.290 116.290 118.376 -2.086 18612 3949 1 6 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.421 0.022 18612 3950 1 6 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.015 1.615 18612 3951 1 6 . 1 1 78 78 GLN CB C 78 30.553 30.553 30.127 0.426 18612 3952 1 6 . 1 1 78 78 GLN H H 78 7.985 7.985 7.726 0.259 18612 3953 1 6 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.033 0.530 18612 3954 1 6 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.582 -7.582 18612 3955 1 6 . 1 1 81 81 LEU CB C 81 41.021 41.021 40.443 0.578 18612 3956 1 6 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.354 0.444 18612 3957 1 6 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.118 -0.212 18612 3958 1 6 . 1 1 85 85 ARG N N 85 119.948 119.948 119.399 0.549 18612 3959 1 6 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.093 -0.222 18612 3960 1 6 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.303 1.377 18612 3961 1 6 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.903 2.018 18612 3962 1 6 . 1 1 85 85 ARG H H 85 8.229 8.229 8.297 -0.068 18612 3963 1 6 . 1 1 86 86 LEU N N 86 120.227 120.227 120.954 -0.727 18612 3964 1 6 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.000 -0.174 18612 3965 1 6 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.567 -0.377 18612 3966 1 6 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.857 -0.269 18612 3967 1 6 . 1 1 86 86 LEU H H 86 8.459 8.459 7.984 0.475 18612 3968 1 6 . 1 1 87 87 LYS N N 87 120.470 120.470 118.909 1.561 18612 3969 1 6 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.991 0.030 18612 3970 1 6 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.544 -0.164 18612 3971 1 6 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.327 0.571 18612 3972 1 6 . 1 1 87 87 LYS H H 87 7.945 7.945 7.697 0.248 18612 3973 1 6 . 1 1 88 88 LEU N N 88 119.799 119.799 120.856 -1.057 18612 3974 1 6 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.107 0.100 18612 3975 1 6 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.842 -0.162 18612 3976 1 6 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.294 -0.069 18612 3977 1 6 . 1 1 88 88 LEU H H 88 7.547 7.547 7.840 -0.293 18612 3978 1 6 . 1 1 89 89 VAL N N 89 118.828 118.828 118.372 0.456 18612 3979 1 6 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.646 -0.328 18612 3980 1 6 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.003 1.747 18612 3981 1 6 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.476 0.902 18612 3982 1 6 . 1 1 89 89 VAL H H 89 8.347 8.347 8.640 -0.293 18612 3983 1 6 . 1 1 90 90 SER N N 90 114.835 114.835 116.618 -1.783 18612 3984 1 6 . 1 1 90 90 SER HA H 90 4.207 4.207 4.118 0.089 18612 3985 1 6 . 1 1 90 90 SER CA C 90 62.000 62.000 61.914 0.086 18612 3986 1 6 . 1 1 90 90 SER CB C 90 62.770 62.770 62.792 -0.022 18612 3987 1 6 . 1 1 90 90 SER H H 90 7.942 7.942 8.398 -0.456 18612 3988 1 6 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.998 0.045 18612 3989 1 6 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.213 0.227 18612 3990 1 6 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.750 0.484 18612 3991 1 6 . 1 1 92 92 LEU N N 92 119.720 119.720 119.944 -0.224 18612 3992 1 6 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.008 -0.060 18612 3993 1 6 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.715 -0.595 18612 3994 1 6 . 1 1 92 92 LEU CB C 92 40.576 40.576 42.254 -1.678 18612 3995 1 6 . 1 1 92 92 LEU H H 92 8.379 8.379 7.859 0.520 18612 3996 1 6 . 1 1 93 93 GLN N N 93 120.938 120.938 119.009 1.929 18612 3997 1 6 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.359 0.194 18612 3998 1 6 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.946 0.104 18612 3999 1 6 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.433 -0.453 18612 4000 1 6 . 1 1 93 93 GLN H H 93 8.751 8.751 8.472 0.279 18612 4001 1 6 . 1 1 94 94 ASP N N 94 122.442 122.442 119.108 3.334 18612 4002 1 6 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.505 -0.046 18612 4003 1 6 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.290 0.810 18612 4004 1 6 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.125 -0.864 18612 4005 1 6 . 1 1 94 94 ASP H H 94 8.470 8.470 8.315 0.155 18612 4006 1 6 . 1 1 95 95 ALA N N 95 120.437 120.437 120.865 -0.428 18612 4007 1 6 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.382 0.130 18612 4008 1 6 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.528 -1.783 18612 4009 1 6 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.873 0.147 18612 4010 1 6 . 1 1 95 95 ALA H H 95 7.340 7.340 7.715 -0.375 18612 4011 1 6 . 1 1 96 96 GLY N N 96 106.865 106.865 107.399 -0.534 18612 4012 1 6 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.806 0.484 18612 4013 1 6 . 1 1 96 96 GLY H H 96 7.987 7.987 7.671 0.316 18612 4014 1 6 . 1 1 97 97 ILE N N 97 122.489 122.489 117.256 5.233 18612 4015 1 6 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.349 -0.095 18612 4016 1 6 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.405 0.245 18612 4017 1 6 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.362 -0.389 18612 4018 1 6 . 1 1 97 97 ILE H H 97 8.062 8.062 7.510 0.552 18612 4019 1 6 . 1 1 98 98 LYS N N 98 127.459 127.459 123.605 3.854 18612 4020 1 6 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.384 0.123 18612 4021 1 6 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.148 -0.227 18612 4022 1 6 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.114 -0.680 18612 4023 1 6 . 1 1 98 98 LYS H H 98 8.574 8.574 8.608 -0.034 18612 4024 1 6 . 1 1 99 99 ALA N N 99 130.423 130.423 128.302 2.121 18612 4025 1 6 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.414 0.350 18612 4026 1 6 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.386 -1.175 18612 4027 1 6 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.916 2.954 18612 4028 1 6 . 1 1 99 99 ALA H H 99 7.813 7.813 8.015 -0.202 18612 4029 1 6 . 1 1 100 100 GLU N N 100 118.988 118.988 117.776 1.212 18612 4030 1 6 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.760 0.075 18612 4031 1 6 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.563 -0.857 18612 4032 1 6 . 1 1 100 100 GLU CB C 100 35.921 35.921 34.577 1.344 18612 4033 1 6 . 1 1 100 100 GLU H H 100 8.226 8.226 8.388 -0.162 18612 4034 1 6 . 1 1 101 101 LEU N N 101 120.024 120.024 117.479 2.545 18612 4035 1 6 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.782 -0.068 18612 4036 1 6 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.974 0.786 18612 4037 1 6 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.491 0.593 18612 4038 1 6 . 1 1 101 101 LEU H H 101 8.478 8.478 8.472 0.006 18612 4039 1 6 . 1 1 102 102 LEU N N 102 118.623 118.623 121.440 -2.817 18612 4040 1 6 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.703 -0.669 18612 4041 1 6 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.531 4.929 18612 4042 1 6 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.309 -4.083 18612 4043 1 6 . 1 1 102 102 LEU H H 102 8.763 8.763 7.724 1.039 18612 4044 1 6 . 1 1 103 103 TYR N N 103 115.970 115.970 111.244 4.726 18612 4045 1 6 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.973 -0.391 18612 4046 1 6 . 1 1 103 103 TYR CA C 103 55.973 55.973 56.224 -0.251 18612 4047 1 6 . 1 1 103 103 TYR CB C 103 38.732 38.732 38.791 -0.059 18612 4048 1 6 . 1 1 103 103 TYR H H 103 7.378 7.378 8.227 -0.849 18612 4049 1 6 . 1 1 104 104 LYS N N 104 120.577 120.577 122.078 -1.501 18612 4050 1 6 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.362 -0.223 18612 4051 1 6 . 1 1 104 104 LYS CA C 104 56.480 56.480 55.252 1.228 18612 4052 1 6 . 1 1 104 104 LYS CB C 104 32.922 32.922 34.029 -1.107 18612 4053 1 6 . 1 1 104 104 LYS H H 104 7.906 7.906 7.706 0.200 18612 4054 1 6 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.931 0.098 18612 4055 1 6 . 1 1 112 112 GLN HA H 112 3.999 3.999 3.993 0.006 18612 4056 1 6 . 1 1 113 113 LEU N N 113 120.147 120.147 119.293 0.854 18612 4057 1 6 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.197 -0.214 18612 4058 1 6 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.046 0.374 18612 4059 1 6 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.135 -0.542 18612 4060 1 6 . 1 1 113 113 LEU H H 113 8.365 8.365 8.652 -0.287 18612 4061 1 6 . 1 1 114 114 GLN N N 114 119.995 119.995 118.551 1.444 18612 4062 1 6 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.004 0.033 18612 4063 1 6 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.261 -0.291 18612 4064 1 6 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.745 -0.555 18612 4065 1 6 . 1 1 114 114 GLN H H 114 8.126 8.126 7.974 0.152 18612 4066 1 6 . 1 1 115 115 TYR N N 115 120.358 120.358 118.976 1.382 18612 4067 1 6 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.246 0.049 18612 4068 1 6 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.422 -0.392 18612 4069 1 6 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.276 -0.507 18612 4070 1 6 . 1 1 115 115 TYR H H 115 7.819 7.819 8.149 -0.330 18612 4071 1 6 . 1 1 116 116 CYS N N 116 116.264 116.264 119.561 -3.297 18612 4072 1 6 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.936 -0.120 18612 4073 1 6 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.880 1.350 18612 4074 1 6 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.604 -0.284 18612 4075 1 6 . 1 1 116 116 CYS H H 116 7.710 7.710 8.102 -0.393 18612 4076 1 6 . 1 1 117 117 GLU N N 117 119.526 119.526 118.843 0.683 18612 4077 1 6 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.105 -0.257 18612 4078 1 6 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.236 -0.086 18612 4079 1 6 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.602 0.098 18612 4080 1 6 . 1 1 117 117 GLU H H 117 7.912 7.912 8.337 -0.425 18612 4081 1 6 . 1 1 118 118 GLU N N 118 119.875 119.875 118.568 1.307 18612 4082 1 6 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.207 -0.238 18612 4083 1 6 . 1 1 118 118 GLU CA C 118 58.780 58.780 57.934 0.846 18612 4084 1 6 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.849 -0.039 18612 4085 1 6 . 1 1 118 118 GLU H H 118 7.988 7.988 7.844 0.144 18612 4086 1 6 . 1 1 119 119 ALA N N 119 119.118 119.118 120.066 -0.948 18612 4087 1 6 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.167 -0.001 18612 4088 1 6 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.589 -0.935 18612 4089 1 6 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.898 -0.819 18612 4090 1 6 . 1 1 119 119 ALA H H 119 8.137 8.137 7.569 0.568 18612 4091 1 6 . 1 1 120 120 GLY N N 120 106.604 106.604 103.480 3.124 18612 4092 1 6 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.091 2.286 18612 4093 1 6 . 1 1 120 120 GLY H H 120 7.550 7.550 7.874 -0.324 18612 4094 1 6 . 1 1 121 121 ILE N N 121 124.026 124.026 110.705 13.321 18612 4095 1 6 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.557 -0.546 18612 4096 1 6 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.565 0.485 18612 4097 1 6 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.529 3.522 18612 4098 1 6 . 1 1 121 121 ILE H H 121 7.918 7.918 8.226 -0.308 18612 4099 1 6 . 1 1 123 123 LEU N N 123 119.541 119.541 116.656 2.885 18612 4100 1 6 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.710 0.793 18612 4101 1 6 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.743 -0.057 18612 4102 1 6 . 1 1 123 123 LEU CB C 123 47.057 47.057 45.883 1.174 18612 4103 1 6 . 1 1 123 123 LEU H H 123 6.973 6.973 7.827 -0.854 18612 4104 1 6 . 1 1 124 124 VAL N N 124 119.580 119.580 122.573 -2.993 18612 4105 1 6 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.739 0.297 18612 4106 1 6 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.385 -0.805 18612 4107 1 6 . 1 1 124 124 VAL CB C 124 35.257 35.257 37.048 -1.791 18612 4108 1 6 . 1 1 124 124 VAL H H 124 8.823 8.823 8.433 0.390 18612 4109 1 6 . 1 1 125 125 ALA N N 125 130.810 130.810 124.826 5.984 18612 4110 1 6 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.028 0.128 18612 4111 1 6 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.764 -1.569 18612 4112 1 6 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.656 -2.596 18612 4113 1 6 . 1 1 125 125 ALA H H 125 9.083 9.083 8.377 0.706 18612 4114 1 6 . 1 1 126 126 ILE N N 126 124.925 124.925 123.041 1.884 18612 4115 1 6 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.643 -0.140 18612 4116 1 6 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.593 0.367 18612 4117 1 6 . 1 1 126 126 ILE CB C 126 39.805 39.805 37.617 2.188 18612 4118 1 6 . 1 1 126 126 ILE H H 126 9.564 9.564 8.823 0.741 18612 4119 1 6 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.114 0.529 18612 4120 1 6 . 1 1 127 127 ILE CA C 127 59.440 59.440 62.452 -3.012 18612 4121 1 6 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.846 2.156 18612 4122 1 6 . 1 1 129 129 GLU N N 129 121.547 121.547 124.307 -2.760 18612 4123 1 6 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.806 0.142 18612 4124 1 6 . 1 1 129 129 GLU CA C 129 60.400 60.400 59.719 0.681 18612 4125 1 6 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.563 0.739 18612 4126 1 6 . 1 1 129 129 GLU H H 129 9.035 9.035 8.423 0.612 18612 4127 1 6 . 1 1 130 130 GLN N N 130 120.221 120.221 118.178 2.043 18612 4128 1 6 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.072 -0.195 18612 4129 1 6 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.151 -0.731 18612 4130 1 6 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.402 -0.002 18612 4131 1 6 . 1 1 130 130 GLN H H 130 8.914 8.914 8.529 0.385 18612 4132 1 6 . 1 1 131 131 GLU N N 131 120.680 120.680 120.696 -0.016 18612 4133 1 6 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.103 -0.164 18612 4134 1 6 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.226 1.984 18612 4135 1 6 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.534 -1.364 18612 4136 1 6 . 1 1 131 131 GLU H H 131 8.871 8.871 8.064 0.807 18612 4137 1 6 . 1 1 132 132 LEU N N 132 118.303 118.303 120.373 -2.070 18612 4138 1 6 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.032 0.330 18612 4139 1 6 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.507 -2.391 18612 4140 1 6 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.088 -0.265 18612 4141 1 6 . 1 1 132 132 LEU H H 132 8.152 8.152 8.192 -0.040 18612 4142 1 6 . 1 1 133 133 LYS N N 133 120.924 120.924 118.659 2.265 18612 4143 1 6 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.167 -0.086 18612 4144 1 6 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.581 0.999 18612 4145 1 6 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.672 -0.200 18612 4146 1 6 . 1 1 133 133 LYS H H 133 7.631 7.631 7.715 -0.084 18612 4147 1 6 . 1 1 134 134 ASP N N 134 118.256 118.256 116.762 1.494 18612 4148 1 6 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.614 0.055 18612 4149 1 6 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.870 -0.719 18612 4150 1 6 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.657 -0.276 18612 4151 1 6 . 1 1 134 134 ASP H H 134 7.985 7.985 7.947 0.038 18612 4152 1 6 . 1 1 135 135 GLY N N 135 109.383 109.383 105.798 3.585 18612 4153 1 6 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.011 1.552 18612 4154 1 6 . 1 1 135 135 GLY H H 135 8.019 8.019 8.139 -0.120 18612 4155 1 6 . 1 1 136 136 VAL N N 136 117.112 117.112 117.030 0.082 18612 4156 1 6 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.995 0.908 18612 4157 1 6 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.716 -1.766 18612 4158 1 6 . 1 1 136 136 VAL CB C 136 35.885 35.885 34.256 1.629 18612 4159 1 6 . 1 1 136 136 VAL H H 136 8.229 8.229 7.649 0.580 18612 4160 1 6 . 1 1 137 137 ILE N N 137 121.971 121.971 121.152 0.819 18612 4161 1 6 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.490 -0.316 18612 4162 1 6 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.493 -1.933 18612 4163 1 6 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.799 0.990 18612 4164 1 6 . 1 1 137 137 ILE H H 137 8.975 8.975 8.100 0.875 18612 4165 1 6 . 1 1 138 138 LYS N N 138 126.613 126.613 124.407 2.206 18612 4166 1 6 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.079 -0.155 18612 4167 1 6 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.670 1.045 18612 4168 1 6 . 1 1 138 138 LYS CB C 138 33.217 33.217 35.524 -2.307 18612 4169 1 6 . 1 1 138 138 LYS H H 138 7.726 7.726 8.456 -0.730 18612 4170 1 6 . 1 1 139 139 LEU N N 139 129.177 129.177 126.976 2.201 18612 4171 1 6 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.576 0.627 18612 4172 1 6 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.047 -0.757 18612 4173 1 6 . 1 1 139 139 LEU CB C 139 44.760 44.760 42.874 1.886 18612 4174 1 6 . 1 1 139 139 LEU H H 139 9.404 9.404 8.163 1.241 18612 4175 1 6 . 1 1 140 140 ARG N N 140 128.243 128.243 127.055 1.188 18612 4176 1 6 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.452 0.810 18612 4177 1 6 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.575 -2.890 18612 4178 1 6 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.408 -2.418 18612 4179 1 6 . 1 1 140 140 ARG H H 140 9.540 9.540 8.199 1.341 18612 4180 1 6 . 1 1 142 142 VAL N N 142 129.670 129.670 119.220 10.450 18612 4181 1 6 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.747 -0.200 18612 4182 1 6 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.391 0.559 18612 4183 1 6 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.252 1.436 18612 4184 1 6 . 1 1 142 142 VAL H H 142 8.336 8.336 7.715 0.621 18612 4185 1 6 . 1 1 143 143 THR N N 143 111.061 111.061 115.787 -4.726 18612 4186 1 6 . 1 1 143 143 THR HA H 143 4.157 4.157 4.129 0.028 18612 4187 1 6 . 1 1 143 143 THR CA C 143 69.400 69.400 65.160 4.240 18612 4188 1 6 . 1 1 143 143 THR CB C 143 70.020 70.020 68.949 1.071 18612 4189 1 6 . 1 1 143 143 THR H H 143 8.248 8.248 7.826 0.422 18612 4190 1 6 . 1 1 144 144 SER N N 144 115.158 115.158 115.911 -0.753 18612 4191 1 6 . 1 1 144 144 SER HA H 144 4.514 4.514 4.426 0.088 18612 4192 1 6 . 1 1 144 144 SER CA C 144 58.370 58.370 60.420 -2.050 18612 4193 1 6 . 1 1 144 144 SER CB C 144 64.500 64.500 63.493 1.007 18612 4194 1 6 . 1 1 144 144 SER H H 144 7.812 7.812 8.422 -0.610 18612 4195 1 6 . 1 1 145 145 ARG N N 145 116.527 116.527 120.098 -3.571 18612 4196 1 6 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.664 -0.838 18612 4197 1 6 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.502 1.798 18612 4198 1 6 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.750 -4.550 18612 4199 1 6 . 1 1 145 145 ARG H H 145 7.836 7.836 7.870 -0.034 18612 4200 1 6 . 1 1 146 146 GLU N N 146 119.889 119.889 115.456 4.433 18612 4201 1 6 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.301 -0.032 18612 4202 1 6 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.471 -0.541 18612 4203 1 6 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.729 -0.091 18612 4204 1 6 . 1 1 146 146 GLU H H 146 7.675 7.675 8.747 -1.072 18612 4205 1 6 . 1 1 147 147 GLU N N 147 124.286 124.286 118.603 5.683 18612 4206 1 6 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.653 0.666 18612 4207 1 6 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.159 -0.224 18612 4208 1 6 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.815 0.926 18612 4209 1 6 . 1 1 147 147 GLU H H 147 8.602 8.602 8.120 0.482 18612 4210 1 6 . 1 1 148 148 VAL N N 148 120.587 120.587 120.060 0.527 18612 4211 1 6 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.280 0.254 18612 4212 1 6 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.299 -0.639 18612 4213 1 6 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.972 -0.282 18612 4214 1 6 . 1 1 148 148 VAL H H 148 8.536 8.536 8.020 0.516 18612 4215 1 6 . 1 1 149 149 ASP N N 149 125.031 125.031 123.648 1.383 18612 4216 1 6 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.989 0.165 18612 4217 1 6 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.461 0.452 18612 4218 1 6 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.158 -0.377 18612 4219 1 6 . 1 1 149 149 ASP H H 149 8.411 8.411 8.423 -0.012 18612 4220 1 6 . 1 1 150 150 VAL N N 150 123.264 123.264 118.825 4.439 18612 4221 1 6 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.783 -0.383 18612 4222 1 6 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.355 0.285 18612 4223 1 6 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.743 -0.718 18612 4224 1 6 . 1 1 150 150 VAL H H 150 9.061 9.061 8.779 0.282 18612 4225 1 6 . 1 1 151 151 ARG N N 151 125.112 125.112 119.330 5.782 18612 4226 1 6 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.718 -0.310 18612 4227 1 6 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.384 1.726 18612 4228 1 6 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.303 -0.413 18612 4229 1 6 . 1 1 151 151 ARG H H 151 9.048 9.048 8.702 0.346 18612 4230 1 6 . 1 1 152 152 ARG N N 152 124.828 124.828 120.441 4.387 18612 4231 1 6 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.778 -0.112 18612 4232 1 6 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.298 -0.268 18612 4233 1 6 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.821 1.189 18612 4234 1 6 . 1 1 152 152 ARG H H 152 8.582 8.582 8.921 -0.339 18612 4235 1 6 . 1 1 153 153 GLU N N 153 116.730 116.730 117.962 -1.232 18612 4236 1 6 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.074 0.126 18612 4237 1 6 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.951 -0.981 18612 4238 1 6 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.707 -1.127 18612 4239 1 6 . 1 1 153 153 GLU H H 153 9.924 9.924 8.425 1.499 18612 4240 1 6 . 1 1 154 154 ASP N N 154 119.318 119.318 119.305 0.013 18612 4241 1 6 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.407 0.611 18612 4242 1 6 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.075 -2.683 18612 4243 1 6 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.688 1.602 18612 4244 1 6 . 1 1 154 154 ASP H H 154 7.758 7.758 8.630 -0.872 18612 4245 1 6 . 1 1 155 155 LEU N N 155 121.863 121.863 119.831 2.032 18612 4246 1 6 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.042 -0.227 18612 4247 1 6 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.894 1.276 18612 4248 1 6 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.084 0.544 18612 4249 1 6 . 1 1 155 155 LEU H H 155 7.315 7.315 7.672 -0.357 18612 4250 1 6 . 1 1 156 156 VAL N N 156 118.555 118.555 118.981 -0.426 18612 4251 1 6 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.546 -0.291 18612 4252 1 6 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.875 0.785 18612 4253 1 6 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.437 -0.207 18612 4254 1 6 . 1 1 156 156 VAL H H 156 8.490 8.490 7.673 0.817 18612 4255 1 6 . 1 1 157 157 GLU N N 157 118.568 118.568 119.016 -0.448 18612 4256 1 6 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.057 -0.147 18612 4257 1 6 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.396 0.024 18612 4258 1 6 . 1 1 157 157 GLU H H 157 8.138 8.138 8.009 0.129 18612 4259 1 6 . 1 1 158 158 GLU N N 158 118.484 118.484 120.905 -2.421 18612 4260 1 6 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.128 0.012 18612 4261 1 6 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.423 -2.133 18612 4262 1 6 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.418 0.056 18612 4263 1 6 . 1 1 158 158 GLU H H 158 8.138 8.138 7.741 0.397 18612 4264 1 6 . 1 1 159 159 ILE N N 159 119.508 119.508 119.611 -0.103 18612 4265 1 6 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.750 -0.322 18612 4266 1 6 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.085 0.805 18612 4267 1 6 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.739 -7.739 18612 4268 1 6 . 1 1 159 159 ILE H H 159 8.482 8.482 7.950 0.532 18612 4269 1 6 . 1 1 160 160 LYS N N 160 121.513 121.513 120.276 1.237 18612 4270 1 6 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.988 -0.210 18612 4271 1 6 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.517 1.333 18612 4272 1 6 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.187 0.063 18612 4273 1 6 . 1 1 160 160 LYS H H 160 8.424 8.424 7.841 0.583 18612 4274 1 6 . 1 1 161 161 ARG N N 161 118.966 118.966 117.641 1.325 18612 4275 1 6 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.105 -0.036 18612 4276 1 6 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.765 0.565 18612 4277 1 6 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.009 0.883 18612 4278 1 6 . 1 1 161 161 ARG H H 161 8.248 8.248 7.918 0.330 18612 4279 1 6 . 1 1 162 162 ARG N N 162 117.033 117.033 119.188 -2.155 18612 4280 1 6 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.180 0.062 18612 4281 1 6 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.530 -0.472 18612 4282 1 6 . 1 1 162 162 ARG CB C 162 31.790 31.790 29.928 1.862 18612 4283 1 6 . 1 1 162 162 ARG H H 162 7.811 7.811 7.841 -0.030 18612 4284 1 6 . 1 1 163 163 THR N N 163 108.588 108.588 107.908 0.680 18612 4285 1 6 . 1 1 163 163 THR HA H 163 4.549 4.549 4.503 0.046 18612 4286 1 6 . 1 1 163 163 THR CA C 163 61.820 61.820 61.945 -0.125 18612 4287 1 6 . 1 1 163 163 THR CB C 163 70.020 70.020 69.392 0.628 18612 4288 1 6 . 1 1 163 163 THR H H 163 7.831 7.831 8.070 -0.239 18612 4289 1 6 . 1 1 164 164 GLY N N 164 110.640 110.640 111.656 -1.016 18612 4290 1 6 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.790 0.923 18612 4291 1 6 . 1 1 164 164 GLY H H 164 7.847 7.847 7.756 0.091 18612 4292 1 6 . 1 1 165 165 GLN N N 165 120.993 120.993 121.330 -0.337 18612 4293 1 6 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.674 -0.732 18612 4294 1 6 . 1 1 165 165 GLN CA C 165 56.077 56.077 52.836 3.241 18612 4295 1 6 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.454 0.115 18612 4296 1 6 . 1 1 165 165 GLN H H 165 8.141 8.141 8.414 -0.273 18612 4297 1 6 . 1 1 167 167 LEU N N 167 122.540 122.540 125.324 -2.784 18612 4298 1 6 . 1 1 167 167 LEU H H 167 8.370 8.370 8.480 -0.110 18612 4299 1 6 . 1 1 168 168 SER N N 168 116.635 116.635 119.686 -3.051 18612 4300 1 6 . 1 1 168 168 SER H H 168 8.269 8.269 8.970 -0.701 18612 4301 1 6 . 1 1 169 169 ILE N N 169 122.767 122.767 122.646 0.121 18612 4302 1 6 . 1 1 169 169 ILE H H 169 8.165 8.165 8.053 0.112 18612 4303 1 7 . 1 1 2 2 GLU N N 2 120.329 120.329 120.942 -0.613 18612 4304 1 7 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.447 -0.305 18612 4305 1 7 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.777 2.293 18612 4306 1 7 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.867 -1.367 18612 4307 1 7 . 1 1 2 2 GLU H H 2 8.498 8.498 8.528 -0.030 18612 4308 1 7 . 1 1 3 3 ARG N N 3 121.547 121.547 120.792 0.755 18612 4309 1 7 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.064 -0.040 18612 4310 1 7 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.501 -0.261 18612 4311 1 7 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.930 0.020 18612 4312 1 7 . 1 1 3 3 ARG H H 3 8.238 8.238 8.491 -0.253 18612 4313 1 7 . 1 1 4 4 ALA N N 4 121.449 121.449 122.238 -0.789 18612 4314 1 7 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.140 0.063 18612 4315 1 7 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.930 0.109 18612 4316 1 7 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.976 -0.066 18612 4317 1 7 . 1 1 4 4 ALA H H 4 8.068 8.068 8.400 -0.332 18612 4318 1 7 . 1 1 5 5 ALA N N 5 121.000 121.000 121.425 -0.425 18612 4319 1 7 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.133 0.085 18612 4320 1 7 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.839 -0.096 18612 4321 1 7 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.134 0.276 18612 4322 1 7 . 1 1 5 5 ALA H H 5 7.831 7.831 8.295 -0.464 18612 4323 1 7 . 1 1 6 6 LEU N N 6 121.402 121.402 118.168 3.234 18612 4324 1 7 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.958 0.203 18612 4325 1 7 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.277 -0.327 18612 4326 1 7 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.248 0.793 18612 4327 1 7 . 1 1 6 6 LEU H H 6 7.919 7.919 7.995 -0.075 18612 4328 1 7 . 1 1 7 7 GLU N N 7 119.203 119.203 119.831 -0.628 18612 4329 1 7 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.873 -0.015 18612 4330 1 7 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.192 0.038 18612 4331 1 7 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.475 0.065 18612 4332 1 7 . 1 1 7 7 GLU H H 7 8.706 8.706 8.539 0.167 18612 4333 1 7 . 1 1 8 8 GLU N N 8 120.194 120.194 119.659 0.535 18612 4334 1 7 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.141 0.054 18612 4335 1 7 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.800 0.370 18612 4336 1 7 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.306 0.154 18612 4337 1 7 . 1 1 8 8 GLU H H 8 7.761 7.761 7.970 -0.209 18612 4338 1 7 . 1 1 9 9 LEU N N 9 120.526 120.526 120.392 0.134 18612 4339 1 7 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.078 0.086 18612 4340 1 7 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.113 0.007 18612 4341 1 7 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.121 -0.333 18612 4342 1 7 . 1 1 9 9 LEU H H 9 7.913 7.913 7.746 0.167 18612 4343 1 7 . 1 1 10 10 VAL N N 10 120.804 120.804 119.918 0.886 18612 4344 1 7 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.401 0.056 18612 4345 1 7 . 1 1 10 10 VAL CA C 10 67.030 67.030 67.090 -0.060 18612 4346 1 7 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.291 0.756 18612 4347 1 7 . 1 1 10 10 VAL H H 10 8.570 8.570 8.281 0.289 18612 4348 1 7 . 1 1 11 11 LYS N N 11 123.175 123.175 120.321 2.854 18612 4349 1 7 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.977 0.067 18612 4350 1 7 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.855 0.015 18612 4351 1 7 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.361 0.031 18612 4352 1 7 . 1 1 11 11 LYS H H 11 7.909 7.909 7.583 0.326 18612 4353 1 7 . 1 1 12 12 LEU N N 12 120.772 120.772 117.453 3.319 18612 4354 1 7 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.056 0.050 18612 4355 1 7 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.479 0.441 18612 4356 1 7 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.684 0.153 18612 4357 1 7 . 1 1 12 12 LEU H H 12 8.436 8.436 7.744 0.692 18612 4358 1 7 . 1 1 13 13 GLN N N 13 121.677 121.677 119.278 2.399 18612 4359 1 7 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.111 0.223 18612 4360 1 7 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.383 -1.983 18612 4361 1 7 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.447 -1.927 18612 4362 1 7 . 1 1 13 13 GLN H H 13 8.710 8.710 7.460 1.250 18612 4363 1 7 . 1 1 14 14 GLY N N 14 109.543 109.543 107.740 1.803 18612 4364 1 7 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.753 0.810 18612 4365 1 7 . 1 1 14 14 GLY H H 14 8.714 8.714 8.516 0.198 18612 4366 1 7 . 1 1 15 15 GLU N N 15 123.144 123.144 121.656 1.488 18612 4367 1 7 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.040 0.108 18612 4368 1 7 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.819 -0.849 18612 4369 1 7 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.397 0.063 18612 4370 1 7 . 1 1 15 15 GLU H H 15 7.913 7.913 7.893 0.020 18612 4371 1 7 . 1 1 16 16 ARG N N 16 123.135 123.135 119.611 3.524 18612 4372 1 7 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.077 0.061 18612 4373 1 7 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.224 -0.254 18612 4374 1 7 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.303 -0.903 18612 4375 1 7 . 1 1 16 16 ARG H H 16 8.104 8.104 7.752 0.352 18612 4376 1 7 . 1 1 17 17 VAL N N 17 119.501 119.501 119.880 -0.379 18612 4377 1 7 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.819 -0.406 18612 4378 1 7 . 1 1 17 17 VAL CA C 17 67.450 67.450 65.540 1.910 18612 4379 1 7 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.217 0.841 18612 4380 1 7 . 1 1 17 17 VAL H H 17 8.192 8.192 7.803 0.389 18612 4381 1 7 . 1 1 18 18 ARG N N 18 119.372 119.372 119.953 -0.581 18612 4382 1 7 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.041 -0.107 18612 4383 1 7 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.953 0.108 18612 4384 1 7 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.951 0.321 18612 4385 1 7 . 1 1 18 18 ARG H H 18 7.980 7.980 7.974 0.006 18612 4386 1 7 . 1 1 19 19 GLY N N 19 107.241 107.241 106.185 1.056 18612 4387 1 7 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.526 0.836 18612 4388 1 7 . 1 1 19 19 GLY H H 19 8.362 8.362 8.018 0.344 18612 4389 1 7 . 1 1 20 20 LEU N N 20 122.627 122.627 123.822 -1.195 18612 4390 1 7 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.113 -0.064 18612 4391 1 7 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.829 0.061 18612 4392 1 7 . 1 1 20 20 LEU CB C 20 42.420 42.420 42.055 0.365 18612 4393 1 7 . 1 1 20 20 LEU H H 20 8.049 8.049 8.083 -0.034 18612 4394 1 7 . 1 1 21 21 LYS N N 21 118.255 118.255 118.142 0.113 18612 4395 1 7 . 1 1 21 21 LYS HA H 21 4.058 4.058 4.312 -0.254 18612 4396 1 7 . 1 1 21 21 LYS CA C 21 60.010 60.010 58.541 1.470 18612 4397 1 7 . 1 1 21 21 LYS CB C 21 32.594 32.594 31.816 0.778 18612 4398 1 7 . 1 1 21 21 LYS H H 21 8.123 8.123 8.258 -0.135 18612 4399 1 7 . 1 1 22 22 GLN N N 22 121.183 121.183 119.766 1.417 18612 4400 1 7 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.199 -0.112 18612 4401 1 7 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.437 0.323 18612 4402 1 7 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.099 -0.499 18612 4403 1 7 . 1 1 22 22 GLN H H 22 8.234 8.234 7.855 0.379 18612 4404 1 7 . 1 1 23 23 GLN N N 23 116.219 116.219 116.768 -0.549 18612 4405 1 7 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.293 -0.030 18612 4406 1 7 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.173 -1.495 18612 4407 1 7 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.971 -0.701 18612 4408 1 7 . 1 1 23 23 GLN H H 23 7.820 7.820 8.000 -0.180 18612 4409 1 7 . 1 1 24 24 LYS N N 24 117.349 117.349 114.814 2.535 18612 4410 1 7 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.537 -0.625 18612 4411 1 7 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.357 1.673 18612 4412 1 7 . 1 1 24 24 LYS CB C 24 28.850 28.850 32.882 -4.032 18612 4413 1 7 . 1 1 24 24 LYS H H 24 7.884 7.884 7.828 0.056 18612 4414 1 7 . 1 1 25 25 ALA N N 25 119.909 119.909 123.700 -3.791 18612 4415 1 7 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.046 0.233 18612 4416 1 7 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.977 -1.957 18612 4417 1 7 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.565 3.755 18612 4418 1 7 . 1 1 25 25 ALA H H 25 7.620 7.620 7.567 0.053 18612 4419 1 7 . 1 1 26 26 SER N N 26 113.188 113.188 112.732 0.456 18612 4420 1 7 . 1 1 26 26 SER HA H 26 4.244 4.244 4.105 0.139 18612 4421 1 7 . 1 1 26 26 SER CA C 26 58.390 58.390 57.926 0.464 18612 4422 1 7 . 1 1 26 26 SER CB C 26 63.830 63.830 62.141 1.689 18612 4423 1 7 . 1 1 26 26 SER H H 26 8.228 8.228 8.447 -0.219 18612 4424 1 7 . 1 1 27 27 ALA N N 27 127.550 127.550 124.533 3.017 18612 4425 1 7 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.948 0.036 18612 4426 1 7 . 1 1 27 27 ALA CA C 27 55.582 55.582 55.017 0.565 18612 4427 1 7 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.514 0.256 18612 4428 1 7 . 1 1 27 27 ALA H H 27 8.769 8.769 8.648 0.121 18612 4429 1 7 . 1 1 28 28 GLU N N 28 117.317 117.317 117.704 -0.387 18612 4430 1 7 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.051 0.023 18612 4431 1 7 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.127 0.573 18612 4432 1 7 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.331 -0.251 18612 4433 1 7 . 1 1 28 28 GLU H H 28 8.830 8.830 8.667 0.163 18612 4434 1 7 . 1 1 29 29 LEU N N 29 122.971 122.971 120.162 2.809 18612 4435 1 7 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.125 0.186 18612 4436 1 7 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.735 -0.165 18612 4437 1 7 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.243 0.362 18612 4438 1 7 . 1 1 29 29 LEU H H 29 7.401 7.401 7.977 -0.576 18612 4439 1 7 . 1 1 30 30 ILE N N 30 118.784 118.784 120.349 -1.565 18612 4440 1 7 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.680 -0.283 18612 4441 1 7 . 1 1 30 30 ILE CA C 30 66.310 66.310 63.912 2.398 18612 4442 1 7 . 1 1 30 30 ILE CB C 30 37.823 37.823 36.190 1.633 18612 4443 1 7 . 1 1 30 30 ILE H H 30 8.019 8.019 9.022 -1.003 18612 4444 1 7 . 1 1 31 31 GLU N N 31 118.215 118.215 119.027 -0.812 18612 4445 1 7 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.024 -0.056 18612 4446 1 7 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.760 0.080 18612 4447 1 7 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.171 0.269 18612 4448 1 7 . 1 1 31 31 GLU H H 31 8.367 8.367 8.272 0.095 18612 4449 1 7 . 1 1 32 32 GLU N N 32 120.284 120.284 120.649 -0.365 18612 4450 1 7 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.100 0.054 18612 4451 1 7 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.565 -0.185 18612 4452 1 7 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.730 0.110 18612 4453 1 7 . 1 1 32 32 GLU H H 32 7.667 7.667 7.803 -0.136 18612 4454 1 7 . 1 1 33 33 GLU N N 33 120.010 120.010 120.017 -0.007 18612 4455 1 7 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.062 0.156 18612 4456 1 7 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.589 -1.209 18612 4457 1 7 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.831 -1.651 18612 4458 1 7 . 1 1 33 33 GLU H H 33 8.156 8.156 8.357 -0.201 18612 4459 1 7 . 1 1 34 34 VAL N N 34 125.322 125.322 119.830 5.492 18612 4460 1 7 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.609 0.033 18612 4461 1 7 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.701 0.149 18612 4462 1 7 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.309 0.531 18612 4463 1 7 . 1 1 34 34 VAL H H 34 9.243 9.243 8.412 0.831 18612 4464 1 7 . 1 1 35 35 ALA N N 35 123.214 123.214 121.104 2.110 18612 4465 1 7 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.947 0.151 18612 4466 1 7 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.384 0.358 18612 4467 1 7 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.218 -0.968 18612 4468 1 7 . 1 1 35 35 ALA H H 35 8.160 8.160 7.697 0.463 18612 4469 1 7 . 1 1 36 36 LYS N N 36 117.979 117.979 118.989 -1.010 18612 4470 1 7 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.989 0.006 18612 4471 1 7 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.276 0.524 18612 4472 1 7 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.271 0.591 18612 4473 1 7 . 1 1 36 36 LYS H H 36 7.607 7.607 7.824 -0.217 18612 4474 1 7 . 1 1 37 37 LEU N N 37 120.957 120.957 121.550 -0.593 18612 4475 1 7 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.011 -0.008 18612 4476 1 7 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.068 0.442 18612 4477 1 7 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.829 0.201 18612 4478 1 7 . 1 1 37 37 LEU H H 37 7.762 7.762 8.210 -0.448 18612 4479 1 7 . 1 1 38 38 LEU N N 38 118.910 118.910 118.680 0.230 18612 4480 1 7 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.797 0.179 18612 4481 1 7 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.227 0.042 18612 4482 1 7 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.162 -0.204 18612 4483 1 7 . 1 1 38 38 LEU H H 38 8.636 8.636 7.744 0.892 18612 4484 1 7 . 1 1 39 39 LYS N N 39 120.804 120.804 119.035 1.769 18612 4485 1 7 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.976 0.104 18612 4486 1 7 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.086 0.365 18612 4487 1 7 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.019 0.639 18612 4488 1 7 . 1 1 39 39 LYS H H 39 7.864 7.864 7.687 0.177 18612 4489 1 7 . 1 1 40 40 LEU N N 40 120.940 120.940 121.510 -0.570 18612 4490 1 7 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.928 0.182 18612 4491 1 7 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.090 -0.150 18612 4492 1 7 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.755 1.331 18612 4493 1 7 . 1 1 40 40 LEU H H 40 7.831 7.831 8.420 -0.589 18612 4494 1 7 . 1 1 41 41 LYS N N 41 117.563 117.563 118.747 -1.184 18612 4495 1 7 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.946 -0.096 18612 4496 1 7 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.505 0.576 18612 4497 1 7 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.866 0.637 18612 4498 1 7 . 1 1 41 41 LYS H H 41 8.493 8.493 8.265 0.228 18612 4499 1 7 . 1 1 42 42 ALA N N 42 121.396 121.396 121.000 0.396 18612 4500 1 7 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.232 -0.043 18612 4501 1 7 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.303 -0.023 18612 4502 1 7 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.140 -0.240 18612 4503 1 7 . 1 1 42 42 ALA H H 42 7.918 7.918 7.651 0.267 18612 4504 1 7 . 1 1 43 43 GLN N N 43 116.883 116.883 118.485 -1.602 18612 4505 1 7 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.082 0.054 18612 4506 1 7 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.045 -0.635 18612 4507 1 7 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.615 0.965 18612 4508 1 7 . 1 1 43 43 GLN H H 43 7.591 7.591 7.794 -0.203 18612 4509 1 7 . 1 1 44 44 LEU N N 44 119.828 119.828 118.060 1.768 18612 4510 1 7 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.027 0.181 18612 4511 1 7 . 1 1 44 44 LEU CA C 44 56.077 56.077 57.258 -1.181 18612 4512 1 7 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.754 -0.327 18612 4513 1 7 . 1 1 44 44 LEU H H 44 7.574 7.574 7.758 -0.184 18612 4514 1 7 . 1 1 45 45 GLY N N 45 106.906 106.906 101.914 4.992 18612 4515 1 7 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.250 0.274 18612 4516 1 7 . 1 1 45 45 GLY H H 45 7.687 7.687 7.548 0.139 18612 4517 1 7 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.546 -0.099 18612 4518 1 7 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.491 0.619 18612 4519 1 7 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.365 0.065 18612 4520 1 7 . 1 1 47 47 ASP N N 47 121.060 121.060 118.969 2.091 18612 4521 1 7 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.311 0.267 18612 4522 1 7 . 1 1 47 47 ASP CA C 47 54.482 54.482 55.197 -0.715 18612 4523 1 7 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.621 -0.618 18612 4524 1 7 . 1 1 47 47 ASP H H 47 8.446 8.446 8.606 -0.160 18612 4525 1 7 . 1 1 48 48 GLU N N 48 123.347 123.347 124.039 -0.692 18612 4526 1 7 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.260 -0.016 18612 4527 1 7 . 1 1 48 48 GLU CA C 48 56.930 56.930 58.001 -1.071 18612 4528 1 7 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.109 0.438 18612 4529 1 7 . 1 1 48 48 GLU H H 48 8.577 8.577 8.806 -0.229 18612 4530 1 7 . 1 1 49 49 SER N N 49 116.751 116.751 114.649 2.102 18612 4531 1 7 . 1 1 49 49 SER HA H 49 4.349 4.349 4.187 0.162 18612 4532 1 7 . 1 1 49 49 SER CA C 49 59.380 59.380 59.507 -0.127 18612 4533 1 7 . 1 1 49 49 SER CB C 49 63.460 63.460 63.053 0.407 18612 4534 1 7 . 1 1 49 49 SER H H 49 8.399 8.399 8.377 0.022 18612 4535 1 7 . 1 1 50 50 LYS N N 50 121.935 121.935 120.186 1.749 18612 4536 1 7 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.114 0.327 18612 4537 1 7 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.803 -0.284 18612 4538 1 7 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.826 -2.371 18612 4539 1 7 . 1 1 50 50 LYS H H 50 8.058 8.058 7.591 0.467 18612 4540 1 7 . 1 1 51 51 GLN N N 51 122.155 122.155 116.616 5.539 18612 4541 1 7 . 1 1 51 51 GLN HA H 51 4.203 4.203 3.855 0.348 18612 4542 1 7 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.572 0.637 18612 4543 1 7 . 1 1 51 51 GLN CB C 51 30.788 30.788 27.045 3.743 18612 4544 1 7 . 1 1 51 51 GLN H H 51 8.273 8.273 8.173 0.100 18612 4545 1 7 . 1 1 52 52 LYS N N 52 122.761 122.761 120.967 1.794 18612 4546 1 7 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.274 0.041 18612 4547 1 7 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.485 0.995 18612 4548 1 7 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.260 -0.338 18612 4549 1 7 . 1 1 52 52 LYS H H 52 8.251 8.251 7.731 0.520 18612 4550 1 7 . 1 1 53 53 PHE N N 53 121.326 121.326 123.291 -1.965 18612 4551 1 7 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.636 0.008 18612 4552 1 7 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.573 0.067 18612 4553 1 7 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.043 0.545 18612 4554 1 7 . 1 1 53 53 PHE H H 53 8.153 8.153 8.680 -0.527 18612 4555 1 7 . 1 1 54 54 VAL N N 54 122.941 122.941 118.964 3.977 18612 4556 1 7 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.822 0.221 18612 4557 1 7 . 1 1 54 54 VAL CA C 54 61.980 61.980 63.221 -1.241 18612 4558 1 7 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.072 1.109 18612 4559 1 7 . 1 1 54 54 VAL H H 54 7.960 7.960 7.522 0.438 18612 4560 1 7 . 1 1 55 55 LEU N N 55 126.751 126.751 122.687 4.064 18612 4561 1 7 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.506 -0.193 18612 4562 1 7 . 1 1 55 55 LEU CA C 55 55.060 55.060 53.845 1.215 18612 4563 1 7 . 1 1 55 55 LEU CB C 55 42.315 42.315 41.764 0.551 18612 4564 1 7 . 1 1 55 55 LEU H H 55 8.226 8.226 8.308 -0.082 18612 4565 1 7 . 1 1 56 56 LYS N N 56 123.614 123.614 121.157 2.457 18612 4566 1 7 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.328 0.044 18612 4567 1 7 . 1 1 56 56 LYS CA C 56 55.912 55.912 57.089 -1.177 18612 4568 1 7 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.996 0.195 18612 4569 1 7 . 1 1 56 56 LYS H H 56 8.320 8.320 7.992 0.328 18612 4570 1 7 . 1 1 57 57 THR N N 57 115.794 115.794 120.571 -4.777 18612 4571 1 7 . 1 1 57 57 THR HA H 57 4.349 4.349 4.696 -0.347 18612 4572 1 7 . 1 1 57 57 THR CA C 57 58.960 58.960 59.526 -0.566 18612 4573 1 7 . 1 1 57 57 THR CB C 57 70.740 70.740 69.549 1.191 18612 4574 1 7 . 1 1 57 57 THR H H 57 7.892 7.892 8.204 -0.312 18612 4575 1 7 . 1 1 59 59 LYS N N 59 121.755 121.755 120.444 1.311 18612 4576 1 7 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.217 0.010 18612 4577 1 7 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.678 -0.158 18612 4578 1 7 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.637 0.457 18612 4579 1 7 . 1 1 59 59 LYS H H 59 8.300 8.300 8.371 -0.071 18612 4580 1 7 . 1 1 60 60 ALA N N 60 125.263 125.263 128.417 -3.154 18612 4581 1 7 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.479 -0.201 18612 4582 1 7 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.041 0.823 18612 4583 1 7 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.204 -0.224 18612 4584 1 7 . 1 1 60 60 ALA H H 60 8.290 8.290 8.446 -0.156 18612 4585 1 7 . 1 1 61 61 LEU N N 61 121.255 121.255 121.414 -0.159 18612 4586 1 7 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.429 -0.149 18612 4587 1 7 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.979 0.606 18612 4588 1 7 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.385 -0.140 18612 4589 1 7 . 1 1 61 61 LEU H H 61 8.144 8.144 7.697 0.447 18612 4590 1 7 . 1 1 62 62 GLU N N 62 121.401 121.401 122.716 -1.315 18612 4591 1 7 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.487 -0.211 18612 4592 1 7 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.916 1.014 18612 4593 1 7 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.917 0.318 18612 4594 1 7 . 1 1 62 62 GLU H H 62 8.266 8.266 8.538 -0.272 18612 4595 1 7 . 1 1 64 64 LYS N N 64 120.575 120.575 125.280 -4.705 18612 4596 1 7 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.400 -0.156 18612 4597 1 7 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.167 -0.082 18612 4598 1 7 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.731 -3.261 18612 4599 1 7 . 1 1 64 64 LYS H H 64 8.106 8.106 8.531 -0.425 18612 4600 1 7 . 1 1 65 65 ILE N N 65 122.492 122.492 124.820 -2.328 18612 4601 1 7 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.363 -0.223 18612 4602 1 7 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.778 0.402 18612 4603 1 7 . 1 1 65 65 ILE CB C 65 38.550 38.550 40.520 -1.970 18612 4604 1 7 . 1 1 65 65 ILE H H 65 8.135 8.135 8.385 -0.250 18612 4605 1 7 . 1 1 66 66 ARG N N 66 125.714 125.714 128.117 -2.403 18612 4606 1 7 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.556 -0.088 18612 4607 1 7 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.529 0.538 18612 4608 1 7 . 1 1 66 66 ARG CB C 66 31.026 31.026 31.350 -0.324 18612 4609 1 7 . 1 1 66 66 ARG H H 66 8.402 8.402 8.569 -0.167 18612 4610 1 7 . 1 1 67 67 THR N N 67 115.622 115.622 117.618 -1.996 18612 4611 1 7 . 1 1 67 67 THR HA H 67 4.445 4.445 4.006 0.439 18612 4612 1 7 . 1 1 67 67 THR CA C 67 61.650 61.650 63.416 -1.766 18612 4613 1 7 . 1 1 67 67 THR CB C 67 69.620 69.620 68.519 1.101 18612 4614 1 7 . 1 1 67 67 THR H H 67 8.281 8.281 8.556 -0.275 18612 4615 1 7 . 1 1 68 68 THR N N 68 116.774 116.774 119.937 -3.163 18612 4616 1 7 . 1 1 68 68 THR HA H 68 4.503 4.503 4.420 0.083 18612 4617 1 7 . 1 1 68 68 THR CA C 68 61.050 61.050 62.743 -1.693 18612 4618 1 7 . 1 1 68 68 THR CB C 68 69.210 69.210 69.313 -0.103 18612 4619 1 7 . 1 1 68 68 THR H H 68 8.076 8.076 8.219 -0.143 18612 4620 1 7 . 1 1 69 69 GLU N N 69 124.048 124.048 122.178 1.870 18612 4621 1 7 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.514 -0.138 18612 4622 1 7 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.542 -0.142 18612 4623 1 7 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.672 -0.054 18612 4624 1 7 . 1 1 69 69 GLU H H 69 8.515 8.515 8.387 0.128 18612 4625 1 7 . 1 1 70 70 THR N N 70 118.988 118.988 111.820 7.168 18612 4626 1 7 . 1 1 70 70 THR HA H 70 3.741 3.741 4.637 -0.896 18612 4627 1 7 . 1 1 70 70 THR CA C 70 64.680 64.680 60.988 3.692 18612 4628 1 7 . 1 1 70 70 THR CB C 70 68.770 68.770 69.872 -1.102 18612 4629 1 7 . 1 1 70 70 THR H H 70 8.259 8.259 7.394 0.865 18612 4630 1 7 . 1 1 71 71 GLN N N 71 125.858 125.858 128.607 -2.749 18612 4631 1 7 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.594 -0.300 18612 4632 1 7 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.301 0.099 18612 4633 1 7 . 1 1 71 71 GLN CB C 71 32.071 32.071 31.161 0.910 18612 4634 1 7 . 1 1 71 71 GLN H H 71 8.795 8.795 8.839 -0.044 18612 4635 1 7 . 1 1 72 72 VAL N N 72 113.505 113.505 110.495 3.010 18612 4636 1 7 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.369 -0.471 18612 4637 1 7 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.142 -0.522 18612 4638 1 7 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.466 -0.062 18612 4639 1 7 . 1 1 72 72 VAL H H 72 7.325 7.325 7.610 -0.285 18612 4640 1 7 . 1 1 73 73 LEU N N 73 128.725 128.725 120.566 8.159 18612 4641 1 7 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.705 0.387 18612 4642 1 7 . 1 1 73 73 LEU CA C 73 52.740 52.740 54.328 -1.588 18612 4643 1 7 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.736 -1.655 18612 4644 1 7 . 1 1 73 73 LEU H H 73 8.170 8.170 8.032 0.138 18612 4645 1 7 . 1 1 74 74 VAL N N 74 127.634 127.634 118.765 8.869 18612 4646 1 7 . 1 1 74 74 VAL HA H 74 4.766 4.766 5.152 -0.386 18612 4647 1 7 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.160 1.930 18612 4648 1 7 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.592 -0.902 18612 4649 1 7 . 1 1 74 74 VAL H H 74 8.913 8.913 8.365 0.548 18612 4650 1 7 . 1 1 75 75 ALA N N 75 132.602 132.602 129.960 2.642 18612 4651 1 7 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.702 0.105 18612 4652 1 7 . 1 1 75 75 ALA CA C 75 50.900 50.900 49.986 0.914 18612 4653 1 7 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.635 2.285 18612 4654 1 7 . 1 1 75 75 ALA H H 75 9.421 9.421 8.563 0.858 18612 4655 1 7 . 1 1 76 76 SER N N 76 111.274 111.274 115.082 -3.808 18612 4656 1 7 . 1 1 76 76 SER HA H 76 4.951 4.951 5.227 -0.276 18612 4657 1 7 . 1 1 76 76 SER CA C 76 56.940 56.940 56.231 0.709 18612 4658 1 7 . 1 1 76 76 SER CB C 76 65.960 65.960 64.935 1.025 18612 4659 1 7 . 1 1 76 76 SER H H 76 8.106 8.106 8.615 -0.509 18612 4660 1 7 . 1 1 77 77 ALA N N 77 125.393 125.393 124.872 0.521 18612 4661 1 7 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.634 -0.173 18612 4662 1 7 . 1 1 77 77 ALA CA C 77 52.754 52.754 53.187 -0.433 18612 4663 1 7 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.012 -0.272 18612 4664 1 7 . 1 1 77 77 ALA H H 77 9.004 9.004 8.738 0.266 18612 4665 1 7 . 1 1 78 78 GLN N N 78 116.290 116.290 117.881 -1.591 18612 4666 1 7 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.524 -0.081 18612 4667 1 7 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.130 1.500 18612 4668 1 7 . 1 1 78 78 GLN CB C 78 30.553 30.553 30.341 0.212 18612 4669 1 7 . 1 1 78 78 GLN H H 78 7.985 7.985 8.366 -0.381 18612 4670 1 7 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.847 -0.284 18612 4671 1 7 . 1 1 81 81 LEU CA C 81 47.000 47.000 53.771 -6.771 18612 4672 1 7 . 1 1 81 81 LEU CB C 81 41.021 41.021 43.736 -2.715 18612 4673 1 7 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.483 0.315 18612 4674 1 7 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.006 -0.100 18612 4675 1 7 . 1 1 85 85 ARG N N 85 119.948 119.948 118.664 1.284 18612 4676 1 7 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.065 -0.194 18612 4677 1 7 . 1 1 85 85 ARG CA C 85 60.680 60.680 58.478 2.202 18612 4678 1 7 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.966 1.955 18612 4679 1 7 . 1 1 85 85 ARG H H 85 8.229 8.229 7.920 0.309 18612 4680 1 7 . 1 1 86 86 LEU N N 86 120.227 120.227 120.811 -0.584 18612 4681 1 7 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.013 -0.187 18612 4682 1 7 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.872 0.318 18612 4683 1 7 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.789 -0.201 18612 4684 1 7 . 1 1 86 86 LEU H H 86 8.459 8.459 8.680 -0.221 18612 4685 1 7 . 1 1 87 87 LYS N N 87 120.470 120.470 119.912 0.558 18612 4686 1 7 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.120 -0.099 18612 4687 1 7 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.527 -0.147 18612 4688 1 7 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.614 0.284 18612 4689 1 7 . 1 1 87 87 LYS H H 87 7.945 7.945 7.843 0.102 18612 4690 1 7 . 1 1 88 88 LEU N N 88 119.799 119.799 121.004 -1.205 18612 4691 1 7 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.096 0.111 18612 4692 1 7 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.141 -0.461 18612 4693 1 7 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.353 -1.128 18612 4694 1 7 . 1 1 88 88 LEU H H 88 7.547 7.547 7.780 -0.233 18612 4695 1 7 . 1 1 89 89 VAL N N 89 118.828 118.828 115.413 3.415 18612 4696 1 7 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.542 -0.224 18612 4697 1 7 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.743 1.007 18612 4698 1 7 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.451 -0.073 18612 4699 1 7 . 1 1 89 89 VAL H H 89 8.347 8.347 8.380 -0.033 18612 4700 1 7 . 1 1 90 90 SER N N 90 114.835 114.835 117.230 -2.395 18612 4701 1 7 . 1 1 90 90 SER HA H 90 4.207 4.207 4.010 0.197 18612 4702 1 7 . 1 1 90 90 SER CA C 90 62.000 62.000 61.514 0.486 18612 4703 1 7 . 1 1 90 90 SER CB C 90 62.770 62.770 62.743 0.027 18612 4704 1 7 . 1 1 90 90 SER H H 90 7.942 7.942 7.830 0.112 18612 4705 1 7 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.014 0.029 18612 4706 1 7 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.214 0.226 18612 4707 1 7 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.583 0.651 18612 4708 1 7 . 1 1 92 92 LEU N N 92 119.720 119.720 118.178 1.542 18612 4709 1 7 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.038 -0.090 18612 4710 1 7 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.340 0.780 18612 4711 1 7 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.436 -0.860 18612 4712 1 7 . 1 1 92 92 LEU H H 92 8.379 8.379 7.812 0.567 18612 4713 1 7 . 1 1 93 93 GLN N N 93 120.938 120.938 121.074 -0.136 18612 4714 1 7 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.589 -0.036 18612 4715 1 7 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.808 0.242 18612 4716 1 7 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.903 -0.923 18612 4717 1 7 . 1 1 93 93 GLN H H 93 8.751 8.751 8.447 0.304 18612 4718 1 7 . 1 1 94 94 ASP N N 94 122.442 122.442 119.537 2.905 18612 4719 1 7 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.502 -0.043 18612 4720 1 7 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.774 0.326 18612 4721 1 7 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.152 -0.891 18612 4722 1 7 . 1 1 94 94 ASP H H 94 8.470 8.470 8.553 -0.083 18612 4723 1 7 . 1 1 95 95 ALA N N 95 120.437 120.437 120.601 -0.164 18612 4724 1 7 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.405 0.107 18612 4725 1 7 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.541 -1.796 18612 4726 1 7 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.659 0.361 18612 4727 1 7 . 1 1 95 95 ALA H H 95 7.340 7.340 7.777 -0.437 18612 4728 1 7 . 1 1 96 96 GLY N N 96 106.865 106.865 106.005 0.860 18612 4729 1 7 . 1 1 96 96 GLY CA C 96 45.290 45.290 45.078 0.213 18612 4730 1 7 . 1 1 96 96 GLY H H 96 7.987 7.987 7.869 0.118 18612 4731 1 7 . 1 1 97 97 ILE N N 97 122.489 122.489 114.291 8.198 18612 4732 1 7 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.606 -0.352 18612 4733 1 7 . 1 1 97 97 ILE CA C 97 58.650 58.650 57.766 0.884 18612 4734 1 7 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.227 -3.253 18612 4735 1 7 . 1 1 97 97 ILE H H 97 8.062 8.062 8.226 -0.164 18612 4736 1 7 . 1 1 98 98 LYS N N 98 127.459 127.459 124.073 3.386 18612 4737 1 7 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.400 0.107 18612 4738 1 7 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.787 -0.866 18612 4739 1 7 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.835 -0.402 18612 4740 1 7 . 1 1 98 98 LYS H H 98 8.574 8.574 8.691 -0.117 18612 4741 1 7 . 1 1 99 99 ALA N N 99 130.423 130.423 128.565 1.858 18612 4742 1 7 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.401 0.363 18612 4743 1 7 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.466 -1.255 18612 4744 1 7 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.307 3.563 18612 4745 1 7 . 1 1 99 99 ALA H H 99 7.813 7.813 8.242 -0.429 18612 4746 1 7 . 1 1 100 100 GLU N N 100 118.988 118.988 121.221 -2.233 18612 4747 1 7 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.665 0.170 18612 4748 1 7 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.667 0.039 18612 4749 1 7 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.992 1.929 18612 4750 1 7 . 1 1 100 100 GLU H H 100 8.226 8.226 8.219 0.007 18612 4751 1 7 . 1 1 101 101 LEU N N 101 120.024 120.024 120.265 -0.241 18612 4752 1 7 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.700 0.014 18612 4753 1 7 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.764 -0.004 18612 4754 1 7 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.133 -0.049 18612 4755 1 7 . 1 1 101 101 LEU H H 101 8.478 8.478 8.449 0.029 18612 4756 1 7 . 1 1 102 102 LEU N N 102 118.623 118.623 123.259 -4.636 18612 4757 1 7 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.868 -0.834 18612 4758 1 7 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.060 4.399 18612 4759 1 7 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.600 -4.375 18612 4760 1 7 . 1 1 102 102 LEU H H 102 8.763 8.763 8.776 -0.013 18612 4761 1 7 . 1 1 103 103 TYR N N 103 115.970 115.970 111.953 4.017 18612 4762 1 7 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.564 0.018 18612 4763 1 7 . 1 1 103 103 TYR CA C 103 55.973 55.973 55.912 0.061 18612 4764 1 7 . 1 1 103 103 TYR CB C 103 38.732 38.732 38.326 0.406 18612 4765 1 7 . 1 1 103 103 TYR H H 103 7.378 7.378 7.935 -0.557 18612 4766 1 7 . 1 1 104 104 LYS N N 104 120.577 120.577 123.752 -3.175 18612 4767 1 7 . 1 1 104 104 LYS HA H 104 4.139 4.139 3.966 0.173 18612 4768 1 7 . 1 1 104 104 LYS CA C 104 56.480 56.480 55.883 0.597 18612 4769 1 7 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.511 1.411 18612 4770 1 7 . 1 1 104 104 LYS H H 104 7.906 7.906 7.661 0.245 18612 4771 1 7 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.123 -0.094 18612 4772 1 7 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.132 -0.133 18612 4773 1 7 . 1 1 113 113 LEU N N 113 120.147 120.147 119.618 0.529 18612 4774 1 7 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.291 -0.308 18612 4775 1 7 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.556 0.864 18612 4776 1 7 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.151 -0.558 18612 4777 1 7 . 1 1 113 113 LEU H H 113 8.365 8.365 8.614 -0.249 18612 4778 1 7 . 1 1 114 114 GLN N N 114 119.995 119.995 119.890 0.105 18612 4779 1 7 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.910 0.127 18612 4780 1 7 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.121 -0.151 18612 4781 1 7 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.390 -0.200 18612 4782 1 7 . 1 1 114 114 GLN H H 114 8.126 8.126 7.638 0.489 18612 4783 1 7 . 1 1 115 115 TYR N N 115 120.358 120.358 118.769 1.589 18612 4784 1 7 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.308 -0.013 18612 4785 1 7 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.207 -0.177 18612 4786 1 7 . 1 1 115 115 TYR CB C 115 37.769 37.769 37.935 -0.166 18612 4787 1 7 . 1 1 115 115 TYR H H 115 7.819 7.819 8.606 -0.787 18612 4788 1 7 . 1 1 116 116 CYS N N 116 116.264 116.264 118.780 -2.516 18612 4789 1 7 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.022 -0.206 18612 4790 1 7 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.666 1.565 18612 4791 1 7 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.610 -0.291 18612 4792 1 7 . 1 1 116 116 CYS H H 116 7.710 7.710 8.002 -0.292 18612 4793 1 7 . 1 1 117 117 GLU N N 117 119.526 119.526 118.633 0.893 18612 4794 1 7 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.089 -0.241 18612 4795 1 7 . 1 1 117 117 GLU CA C 117 59.150 59.150 58.870 0.280 18612 4796 1 7 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.863 -0.163 18612 4797 1 7 . 1 1 117 117 GLU H H 117 7.912 7.912 8.296 -0.384 18612 4798 1 7 . 1 1 118 118 GLU N N 118 119.875 119.875 118.341 1.534 18612 4799 1 7 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.173 -0.204 18612 4800 1 7 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.053 0.727 18612 4801 1 7 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.692 0.117 18612 4802 1 7 . 1 1 118 118 GLU H H 118 7.988 7.988 7.985 0.003 18612 4803 1 7 . 1 1 119 119 ALA N N 119 119.118 119.118 121.216 -2.098 18612 4804 1 7 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.266 -0.100 18612 4805 1 7 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.492 -0.838 18612 4806 1 7 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.983 -0.903 18612 4807 1 7 . 1 1 119 119 ALA H H 119 8.137 8.137 7.652 0.485 18612 4808 1 7 . 1 1 120 120 GLY N N 120 106.604 106.604 104.873 1.731 18612 4809 1 7 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.038 2.339 18612 4810 1 7 . 1 1 120 120 GLY H H 120 7.550 7.550 7.758 -0.208 18612 4811 1 7 . 1 1 121 121 ILE N N 121 124.026 124.026 111.487 12.539 18612 4812 1 7 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.633 -0.622 18612 4813 1 7 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.254 0.796 18612 4814 1 7 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.765 3.286 18612 4815 1 7 . 1 1 121 121 ILE H H 121 7.918 7.918 8.311 -0.393 18612 4816 1 7 . 1 1 123 123 LEU N N 123 119.541 119.541 113.673 5.868 18612 4817 1 7 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.645 -0.142 18612 4818 1 7 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.169 0.518 18612 4819 1 7 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.849 0.208 18612 4820 1 7 . 1 1 123 123 LEU H H 123 6.973 6.973 7.798 -0.826 18612 4821 1 7 . 1 1 124 124 VAL N N 124 119.580 119.580 118.462 1.118 18612 4822 1 7 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.779 0.257 18612 4823 1 7 . 1 1 124 124 VAL CA C 124 59.580 59.580 61.123 -1.542 18612 4824 1 7 . 1 1 124 124 VAL CB C 124 35.257 35.257 35.117 0.140 18612 4825 1 7 . 1 1 124 124 VAL H H 124 8.823 8.823 8.228 0.595 18612 4826 1 7 . 1 1 125 125 ALA N N 125 130.810 130.810 130.950 -0.140 18612 4827 1 7 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.113 0.043 18612 4828 1 7 . 1 1 125 125 ALA CA C 125 49.195 49.195 49.856 -0.661 18612 4829 1 7 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.760 -1.700 18612 4830 1 7 . 1 1 125 125 ALA H H 125 9.083 9.083 8.510 0.573 18612 4831 1 7 . 1 1 126 126 ILE N N 126 124.925 124.925 122.466 2.459 18612 4832 1 7 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.117 -0.614 18612 4833 1 7 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.069 1.891 18612 4834 1 7 . 1 1 126 126 ILE CB C 126 39.805 39.805 36.794 3.011 18612 4835 1 7 . 1 1 126 126 ILE H H 126 9.564 9.564 7.928 1.636 18612 4836 1 7 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.645 -0.002 18612 4837 1 7 . 1 1 127 127 ILE CA C 127 59.440 59.440 58.740 0.699 18612 4838 1 7 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.270 0.732 18612 4839 1 7 . 1 1 129 129 GLU N N 129 121.547 121.547 122.579 -1.032 18612 4840 1 7 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.221 -0.273 18612 4841 1 7 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.274 3.126 18612 4842 1 7 . 1 1 129 129 GLU CB C 129 30.302 30.302 30.147 0.155 18612 4843 1 7 . 1 1 129 129 GLU H H 129 9.035 9.035 8.644 0.391 18612 4844 1 7 . 1 1 130 130 GLN N N 130 120.221 120.221 119.391 0.830 18612 4845 1 7 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.098 -0.221 18612 4846 1 7 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.268 -0.848 18612 4847 1 7 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.389 0.011 18612 4848 1 7 . 1 1 130 130 GLN H H 130 8.914 8.914 8.638 0.276 18612 4849 1 7 . 1 1 131 131 GLU N N 131 120.680 120.680 118.519 2.161 18612 4850 1 7 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.193 -0.254 18612 4851 1 7 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.975 2.235 18612 4852 1 7 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.399 -0.229 18612 4853 1 7 . 1 1 131 131 GLU H H 131 8.871 8.871 8.620 0.251 18612 4854 1 7 . 1 1 132 132 LEU N N 132 118.303 118.303 120.778 -2.475 18612 4855 1 7 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.136 0.226 18612 4856 1 7 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.441 -2.325 18612 4857 1 7 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.027 -0.204 18612 4858 1 7 . 1 1 132 132 LEU H H 132 8.152 8.152 7.684 0.468 18612 4859 1 7 . 1 1 133 133 LYS N N 133 120.924 120.924 118.734 2.190 18612 4860 1 7 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.112 -0.031 18612 4861 1 7 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.264 0.316 18612 4862 1 7 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.263 0.209 18612 4863 1 7 . 1 1 133 133 LYS H H 133 7.631 7.631 7.788 -0.157 18612 4864 1 7 . 1 1 134 134 ASP N N 134 118.256 118.256 116.830 1.426 18612 4865 1 7 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.607 0.062 18612 4866 1 7 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.454 -0.303 18612 4867 1 7 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.444 -0.062 18612 4868 1 7 . 1 1 134 134 ASP H H 134 7.985 7.985 8.109 -0.124 18612 4869 1 7 . 1 1 135 135 GLY N N 135 109.383 109.383 106.526 2.857 18612 4870 1 7 . 1 1 135 135 GLY CA C 135 46.563 46.563 44.788 1.775 18612 4871 1 7 . 1 1 135 135 GLY H H 135 8.019 8.019 7.987 0.032 18612 4872 1 7 . 1 1 136 136 VAL N N 136 117.112 117.112 114.726 2.386 18612 4873 1 7 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.697 1.206 18612 4874 1 7 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.417 -3.467 18612 4875 1 7 . 1 1 136 136 VAL CB C 136 35.885 35.885 31.276 4.609 18612 4876 1 7 . 1 1 136 136 VAL H H 136 8.229 8.229 7.278 0.951 18612 4877 1 7 . 1 1 137 137 ILE N N 137 121.971 121.971 120.598 1.373 18612 4878 1 7 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.360 -0.186 18612 4879 1 7 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.919 -2.359 18612 4880 1 7 . 1 1 137 137 ILE CB C 137 40.789 40.789 37.483 3.305 18612 4881 1 7 . 1 1 137 137 ILE H H 137 8.975 8.975 7.894 1.081 18612 4882 1 7 . 1 1 138 138 LYS N N 138 126.613 126.613 128.676 -2.063 18612 4883 1 7 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.902 0.022 18612 4884 1 7 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.993 0.722 18612 4885 1 7 . 1 1 138 138 LYS CB C 138 33.217 33.217 33.804 -0.587 18612 4886 1 7 . 1 1 138 138 LYS H H 138 7.726 7.726 8.160 -0.434 18612 4887 1 7 . 1 1 139 139 LEU N N 139 129.177 129.177 127.386 1.791 18612 4888 1 7 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.380 0.823 18612 4889 1 7 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.852 -1.562 18612 4890 1 7 . 1 1 139 139 LEU CB C 139 44.760 44.760 43.186 1.574 18612 4891 1 7 . 1 1 139 139 LEU H H 139 9.404 9.404 8.436 0.968 18612 4892 1 7 . 1 1 140 140 ARG N N 140 128.243 128.243 126.500 1.743 18612 4893 1 7 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.641 0.621 18612 4894 1 7 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.445 -1.760 18612 4895 1 7 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.983 -2.993 18612 4896 1 7 . 1 1 140 140 ARG H H 140 9.540 9.540 8.808 0.732 18612 4897 1 7 . 1 1 142 142 VAL N N 142 129.670 129.670 119.537 10.133 18612 4898 1 7 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.708 -0.161 18612 4899 1 7 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.068 0.882 18612 4900 1 7 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.262 1.426 18612 4901 1 7 . 1 1 142 142 VAL H H 142 8.336 8.336 7.985 0.351 18612 4902 1 7 . 1 1 143 143 THR N N 143 111.061 111.061 112.251 -1.190 18612 4903 1 7 . 1 1 143 143 THR HA H 143 4.157 4.157 4.200 -0.043 18612 4904 1 7 . 1 1 143 143 THR CA C 143 69.400 69.400 64.671 4.729 18612 4905 1 7 . 1 1 143 143 THR CB C 143 70.020 70.020 68.835 1.185 18612 4906 1 7 . 1 1 143 143 THR H H 143 8.248 8.248 7.754 0.494 18612 4907 1 7 . 1 1 144 144 SER N N 144 115.158 115.158 115.310 -0.152 18612 4908 1 7 . 1 1 144 144 SER HA H 144 4.514 4.514 4.411 0.103 18612 4909 1 7 . 1 1 144 144 SER CA C 144 58.370 58.370 59.737 -1.367 18612 4910 1 7 . 1 1 144 144 SER CB C 144 64.500 64.500 63.871 0.629 18612 4911 1 7 . 1 1 144 144 SER H H 144 7.812 7.812 8.348 -0.535 18612 4912 1 7 . 1 1 145 145 ARG N N 145 116.527 116.527 119.622 -3.095 18612 4913 1 7 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.557 -0.731 18612 4914 1 7 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.210 3.090 18612 4915 1 7 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.835 -3.635 18612 4916 1 7 . 1 1 145 145 ARG H H 145 7.836 7.836 7.723 0.113 18612 4917 1 7 . 1 1 146 146 GLU N N 146 119.889 119.889 118.311 1.578 18612 4918 1 7 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.409 -0.140 18612 4919 1 7 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.755 0.175 18612 4920 1 7 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.358 0.280 18612 4921 1 7 . 1 1 146 146 GLU H H 146 7.675 7.675 8.473 -0.798 18612 4922 1 7 . 1 1 147 147 GLU N N 147 124.286 124.286 118.285 6.001 18612 4923 1 7 . 1 1 147 147 GLU HA H 147 5.319 5.319 5.029 0.290 18612 4924 1 7 . 1 1 147 147 GLU CA C 147 54.935 54.935 54.925 0.010 18612 4925 1 7 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.709 0.032 18612 4926 1 7 . 1 1 147 147 GLU H H 147 8.602 8.602 7.836 0.766 18612 4927 1 7 . 1 1 148 148 VAL N N 148 120.587 120.587 118.869 1.718 18612 4928 1 7 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.373 0.161 18612 4929 1 7 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.341 -0.681 18612 4930 1 7 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.178 -0.488 18612 4931 1 7 . 1 1 148 148 VAL H H 148 8.536 8.536 8.551 -0.015 18612 4932 1 7 . 1 1 149 149 ASP N N 149 125.031 125.031 124.108 0.923 18612 4933 1 7 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.818 0.336 18612 4934 1 7 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.487 0.425 18612 4935 1 7 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.808 -1.027 18612 4936 1 7 . 1 1 149 149 ASP H H 149 8.411 8.411 8.225 0.186 18612 4937 1 7 . 1 1 150 150 VAL N N 150 123.264 123.264 120.873 2.391 18612 4938 1 7 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.670 -0.270 18612 4939 1 7 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.436 0.204 18612 4940 1 7 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.813 -0.788 18612 4941 1 7 . 1 1 150 150 VAL H H 150 9.061 9.061 8.708 0.353 18612 4942 1 7 . 1 1 151 151 ARG N N 151 125.112 125.112 120.856 4.256 18612 4943 1 7 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.663 -0.255 18612 4944 1 7 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.043 2.067 18612 4945 1 7 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.459 -0.569 18612 4946 1 7 . 1 1 151 151 ARG H H 151 9.048 9.048 8.639 0.409 18612 4947 1 7 . 1 1 152 152 ARG N N 152 124.828 124.828 119.814 5.014 18612 4948 1 7 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.735 -0.069 18612 4949 1 7 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.158 -0.128 18612 4950 1 7 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.768 1.242 18612 4951 1 7 . 1 1 152 152 ARG H H 152 8.582 8.582 8.842 -0.260 18612 4952 1 7 . 1 1 153 153 GLU N N 153 116.730 116.730 117.925 -1.195 18612 4953 1 7 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.115 0.085 18612 4954 1 7 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.475 -0.505 18612 4955 1 7 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.155 -0.575 18612 4956 1 7 . 1 1 153 153 GLU H H 153 9.924 9.924 8.629 1.295 18612 4957 1 7 . 1 1 154 154 ASP N N 154 119.318 119.318 119.330 -0.012 18612 4958 1 7 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.518 0.500 18612 4959 1 7 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.456 -2.063 18612 4960 1 7 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.291 1.999 18612 4961 1 7 . 1 1 154 154 ASP H H 154 7.758 7.758 8.558 -0.800 18612 4962 1 7 . 1 1 155 155 LEU N N 155 121.863 121.863 120.925 0.938 18612 4963 1 7 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.091 -0.276 18612 4964 1 7 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.938 1.232 18612 4965 1 7 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.118 0.510 18612 4966 1 7 . 1 1 155 155 LEU H H 155 7.315 7.315 7.628 -0.313 18612 4967 1 7 . 1 1 156 156 VAL N N 156 118.555 118.555 119.130 -0.575 18612 4968 1 7 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.560 -0.305 18612 4969 1 7 . 1 1 156 156 VAL CA C 156 67.660 67.660 67.253 0.407 18612 4970 1 7 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.389 -0.159 18612 4971 1 7 . 1 1 156 156 VAL H H 156 8.490 8.490 7.824 0.666 18612 4972 1 7 . 1 1 157 157 GLU N N 157 118.568 118.568 118.843 -0.275 18612 4973 1 7 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.969 -0.059 18612 4974 1 7 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.645 -0.225 18612 4975 1 7 . 1 1 157 157 GLU H H 157 8.138 8.138 7.948 0.190 18612 4976 1 7 . 1 1 158 158 GLU N N 158 118.484 118.484 120.499 -2.015 18612 4977 1 7 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.074 0.066 18612 4978 1 7 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.455 -2.165 18612 4979 1 7 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.548 -0.074 18612 4980 1 7 . 1 1 158 158 GLU H H 158 8.138 8.138 7.714 0.424 18612 4981 1 7 . 1 1 159 159 ILE N N 159 119.508 119.508 120.292 -0.784 18612 4982 1 7 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.728 -0.300 18612 4983 1 7 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.296 0.594 18612 4984 1 7 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.749 -7.750 18612 4985 1 7 . 1 1 159 159 ILE H H 159 8.482 8.482 7.814 0.668 18612 4986 1 7 . 1 1 160 160 LYS N N 160 121.513 121.513 119.246 2.267 18612 4987 1 7 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.973 -0.195 18612 4988 1 7 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.435 1.415 18612 4989 1 7 . 1 1 160 160 LYS CB C 160 32.250 32.250 31.879 0.371 18612 4990 1 7 . 1 1 160 160 LYS H H 160 8.424 8.424 8.498 -0.074 18612 4991 1 7 . 1 1 161 161 ARG N N 161 118.966 118.966 118.950 0.016 18612 4992 1 7 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.089 -0.020 18612 4993 1 7 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.670 0.659 18612 4994 1 7 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.231 0.661 18612 4995 1 7 . 1 1 161 161 ARG H H 161 8.248 8.248 7.658 0.590 18612 4996 1 7 . 1 1 162 162 ARG N N 162 117.033 117.033 117.078 -0.045 18612 4997 1 7 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.091 0.151 18612 4998 1 7 . 1 1 162 162 ARG CA C 162 58.058 58.058 59.016 -0.958 18612 4999 1 7 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.280 1.510 18612 5000 1 7 . 1 1 162 162 ARG H H 162 7.811 7.811 7.720 0.091 18612 5001 1 7 . 1 1 163 163 THR N N 163 108.588 108.588 112.420 -3.832 18612 5002 1 7 . 1 1 163 163 THR HA H 163 4.549 4.549 4.150 0.399 18612 5003 1 7 . 1 1 163 163 THR CA C 163 61.820 61.820 63.753 -1.933 18612 5004 1 7 . 1 1 163 163 THR CB C 163 70.020 70.020 69.270 0.750 18612 5005 1 7 . 1 1 163 163 THR H H 163 7.831 7.831 8.051 -0.220 18612 5006 1 7 . 1 1 164 164 GLY N N 164 110.640 110.640 108.840 1.800 18612 5007 1 7 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.962 0.751 18612 5008 1 7 . 1 1 164 164 GLY H H 164 7.847 7.847 7.488 0.359 18612 5009 1 7 . 1 1 165 165 GLN N N 165 120.993 120.993 119.179 1.814 18612 5010 1 7 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.628 -0.686 18612 5011 1 7 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.024 3.053 18612 5012 1 7 . 1 1 165 165 GLN CB C 165 29.569 29.569 31.251 -1.682 18612 5013 1 7 . 1 1 165 165 GLN H H 165 8.141 8.141 8.185 -0.044 18612 5014 1 7 . 1 1 167 167 LEU N N 167 122.540 122.540 123.751 -1.211 18612 5015 1 7 . 1 1 167 167 LEU H H 167 8.370 8.370 8.318 0.052 18612 5016 1 7 . 1 1 168 168 SER N N 168 116.635 116.635 116.829 -0.194 18612 5017 1 7 . 1 1 168 168 SER H H 168 8.269 8.269 7.798 0.471 18612 5018 1 7 . 1 1 169 169 ILE N N 169 122.767 122.767 122.721 0.046 18612 5019 1 7 . 1 1 169 169 ILE H H 169 8.165 8.165 8.499 -0.334 18612 5020 1 8 . 1 1 2 2 GLU N N 2 120.329 120.329 121.086 -0.757 18612 5021 1 8 . 1 1 2 2 GLU HA H 2 4.142 4.142 3.829 0.312 18612 5022 1 8 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.780 0.290 18612 5023 1 8 . 1 1 2 2 GLU CB C 2 29.500 29.500 29.164 0.336 18612 5024 1 8 . 1 1 2 2 GLU H H 2 8.498 8.498 8.934 -0.436 18612 5025 1 8 . 1 1 3 3 ARG N N 3 121.547 121.547 119.699 1.848 18612 5026 1 8 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.912 0.112 18612 5027 1 8 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.522 -0.282 18612 5028 1 8 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.215 -0.265 18612 5029 1 8 . 1 1 3 3 ARG H H 3 8.238 8.238 8.082 0.156 18612 5030 1 8 . 1 1 4 4 ALA N N 4 121.449 121.449 122.871 -1.422 18612 5031 1 8 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.093 0.110 18612 5032 1 8 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.163 -0.124 18612 5033 1 8 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.936 -0.025 18612 5034 1 8 . 1 1 4 4 ALA H H 4 8.068 8.068 8.288 -0.220 18612 5035 1 8 . 1 1 5 5 ALA N N 5 121.000 121.000 120.620 0.380 18612 5036 1 8 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.337 -0.119 18612 5037 1 8 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.648 0.095 18612 5038 1 8 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.140 0.270 18612 5039 1 8 . 1 1 5 5 ALA H H 5 7.831 7.831 8.226 -0.395 18612 5040 1 8 . 1 1 6 6 LEU N N 6 121.402 121.402 119.643 1.759 18612 5041 1 8 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.037 0.124 18612 5042 1 8 . 1 1 6 6 LEU CA C 6 57.950 57.950 57.939 0.011 18612 5043 1 8 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.825 0.216 18612 5044 1 8 . 1 1 6 6 LEU H H 6 7.919 7.919 8.379 -0.460 18612 5045 1 8 . 1 1 7 7 GLU N N 7 119.203 119.203 119.751 -0.548 18612 5046 1 8 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.878 -0.020 18612 5047 1 8 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.358 -0.128 18612 5048 1 8 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.656 -0.116 18612 5049 1 8 . 1 1 7 7 GLU H H 7 8.706 8.706 8.455 0.251 18612 5050 1 8 . 1 1 8 8 GLU N N 8 120.194 120.194 118.349 1.845 18612 5051 1 8 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.032 0.163 18612 5052 1 8 . 1 1 8 8 GLU CA C 8 59.170 59.170 59.117 0.053 18612 5053 1 8 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.071 0.389 18612 5054 1 8 . 1 1 8 8 GLU H H 8 7.761 7.761 7.951 -0.190 18612 5055 1 8 . 1 1 9 9 LEU N N 9 120.526 120.526 120.592 -0.066 18612 5056 1 8 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.039 0.125 18612 5057 1 8 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.777 0.343 18612 5058 1 8 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.137 -0.349 18612 5059 1 8 . 1 1 9 9 LEU H H 9 7.913 7.913 7.695 0.218 18612 5060 1 8 . 1 1 10 10 VAL N N 10 120.804 120.804 119.416 1.388 18612 5061 1 8 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.536 -0.079 18612 5062 1 8 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.399 1.631 18612 5063 1 8 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.643 1.403 18612 5064 1 8 . 1 1 10 10 VAL H H 10 8.570 8.570 7.973 0.597 18612 5065 1 8 . 1 1 11 11 LYS N N 11 123.175 123.175 120.579 2.596 18612 5066 1 8 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.959 0.085 18612 5067 1 8 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.064 -0.194 18612 5068 1 8 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.505 -0.113 18612 5069 1 8 . 1 1 11 11 LYS H H 11 7.909 7.909 7.616 0.293 18612 5070 1 8 . 1 1 12 12 LEU N N 12 120.772 120.772 116.133 4.639 18612 5071 1 8 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.204 -0.098 18612 5072 1 8 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.704 0.216 18612 5073 1 8 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.010 0.827 18612 5074 1 8 . 1 1 12 12 LEU H H 12 8.436 8.436 7.703 0.733 18612 5075 1 8 . 1 1 13 13 GLN N N 13 121.677 121.677 120.701 0.976 18612 5076 1 8 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.046 0.288 18612 5077 1 8 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.634 -2.234 18612 5078 1 8 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.066 -1.546 18612 5079 1 8 . 1 1 13 13 GLN H H 13 8.710 8.710 7.398 1.312 18612 5080 1 8 . 1 1 14 14 GLY N N 14 109.543 109.543 106.828 2.715 18612 5081 1 8 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.858 0.705 18612 5082 1 8 . 1 1 14 14 GLY H H 14 8.714 8.714 8.128 0.586 18612 5083 1 8 . 1 1 15 15 GLU N N 15 123.144 123.144 122.165 0.979 18612 5084 1 8 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.978 0.170 18612 5085 1 8 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.309 -0.338 18612 5086 1 8 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.549 -0.089 18612 5087 1 8 . 1 1 15 15 GLU H H 15 7.913 7.913 7.911 0.002 18612 5088 1 8 . 1 1 16 16 ARG N N 16 123.135 123.135 119.919 3.216 18612 5089 1 8 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.080 0.058 18612 5090 1 8 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.282 -0.312 18612 5091 1 8 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.090 -0.690 18612 5092 1 8 . 1 1 16 16 ARG H H 16 8.104 8.104 8.143 -0.039 18612 5093 1 8 . 1 1 17 17 VAL N N 17 119.501 119.501 119.916 -0.415 18612 5094 1 8 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.572 -0.159 18612 5095 1 8 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.325 1.125 18612 5096 1 8 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.874 0.184 18612 5097 1 8 . 1 1 17 17 VAL H H 17 8.192 8.192 7.805 0.387 18612 5098 1 8 . 1 1 18 18 ARG N N 18 119.372 119.372 119.461 -0.089 18612 5099 1 8 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.973 -0.039 18612 5100 1 8 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.916 0.144 18612 5101 1 8 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.896 0.376 18612 5102 1 8 . 1 1 18 18 ARG H H 18 7.980 7.980 7.932 0.048 18612 5103 1 8 . 1 1 19 19 GLY N N 19 107.241 107.241 107.177 0.064 18612 5104 1 8 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.211 0.151 18612 5105 1 8 . 1 1 19 19 GLY H H 19 8.362 8.362 7.863 0.499 18612 5106 1 8 . 1 1 20 20 LEU N N 20 122.627 122.627 119.450 3.177 18612 5107 1 8 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.294 -0.245 18612 5108 1 8 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.316 0.574 18612 5109 1 8 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.642 0.778 18612 5110 1 8 . 1 1 20 20 LEU H H 20 8.049 8.049 7.771 0.278 18612 5111 1 8 . 1 1 21 21 LYS N N 21 118.255 118.255 121.177 -2.922 18612 5112 1 8 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.877 0.181 18612 5113 1 8 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.546 0.464 18612 5114 1 8 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.359 0.235 18612 5115 1 8 . 1 1 21 21 LYS H H 21 8.123 8.123 8.517 -0.394 18612 5116 1 8 . 1 1 22 22 GLN N N 22 121.183 121.183 116.792 4.391 18612 5117 1 8 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.184 -0.097 18612 5118 1 8 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.356 0.404 18612 5119 1 8 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.710 -0.110 18612 5120 1 8 . 1 1 22 22 GLN H H 22 8.234 8.234 7.696 0.538 18612 5121 1 8 . 1 1 23 23 GLN N N 23 116.219 116.219 117.968 -1.749 18612 5122 1 8 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.277 -0.014 18612 5123 1 8 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.401 -1.723 18612 5124 1 8 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.555 -0.285 18612 5125 1 8 . 1 1 23 23 GLN H H 23 7.820 7.820 7.799 0.021 18612 5126 1 8 . 1 1 24 24 LYS N N 24 117.349 117.349 117.508 -0.159 18612 5127 1 8 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.443 -0.531 18612 5128 1 8 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.235 1.795 18612 5129 1 8 . 1 1 24 24 LYS CB C 24 28.850 28.850 32.907 -4.057 18612 5130 1 8 . 1 1 24 24 LYS H H 24 7.884 7.884 8.180 -0.296 18612 5131 1 8 . 1 1 25 25 ALA N N 25 119.909 119.909 121.770 -1.861 18612 5132 1 8 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.110 0.169 18612 5133 1 8 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.289 -1.269 18612 5134 1 8 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.973 3.347 18612 5135 1 8 . 1 1 25 25 ALA H H 25 7.620 7.620 7.775 -0.155 18612 5136 1 8 . 1 1 26 26 SER N N 26 113.188 113.188 111.660 1.528 18612 5137 1 8 . 1 1 26 26 SER HA H 26 4.244 4.244 4.294 -0.050 18612 5138 1 8 . 1 1 26 26 SER CA C 26 58.390 58.390 58.191 0.199 18612 5139 1 8 . 1 1 26 26 SER CB C 26 63.830 63.830 62.345 1.485 18612 5140 1 8 . 1 1 26 26 SER H H 26 8.228 8.228 8.227 0.001 18612 5141 1 8 . 1 1 27 27 ALA N N 27 127.550 127.550 126.296 1.254 18612 5142 1 8 . 1 1 27 27 ALA HA H 27 3.984 3.984 4.001 -0.017 18612 5143 1 8 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.594 0.988 18612 5144 1 8 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.621 0.149 18612 5145 1 8 . 1 1 27 27 ALA H H 27 8.769 8.769 8.678 0.091 18612 5146 1 8 . 1 1 28 28 GLU N N 28 117.317 117.317 118.150 -0.833 18612 5147 1 8 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.059 0.015 18612 5148 1 8 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.329 0.371 18612 5149 1 8 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.381 -0.301 18612 5150 1 8 . 1 1 28 28 GLU H H 28 8.830 8.830 8.783 0.047 18612 5151 1 8 . 1 1 29 29 LEU N N 29 122.971 122.971 119.807 3.164 18612 5152 1 8 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.112 0.199 18612 5153 1 8 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.547 0.023 18612 5154 1 8 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.651 -0.046 18612 5155 1 8 . 1 1 29 29 LEU H H 29 7.401 7.401 7.609 -0.208 18612 5156 1 8 . 1 1 30 30 ILE N N 30 118.784 118.784 119.541 -0.757 18612 5157 1 8 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.635 -0.238 18612 5158 1 8 . 1 1 30 30 ILE CA C 30 66.310 66.310 64.343 1.967 18612 5159 1 8 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.180 0.643 18612 5160 1 8 . 1 1 30 30 ILE H H 30 8.019 8.019 8.859 -0.840 18612 5161 1 8 . 1 1 31 31 GLU N N 31 118.215 118.215 119.586 -1.371 18612 5162 1 8 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.956 0.012 18612 5163 1 8 . 1 1 31 31 GLU CA C 31 59.840 59.840 60.193 -0.353 18612 5164 1 8 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.419 0.021 18612 5165 1 8 . 1 1 31 31 GLU H H 31 8.367 8.367 8.385 -0.018 18612 5166 1 8 . 1 1 32 32 GLU N N 32 120.284 120.284 119.436 0.848 18612 5167 1 8 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.102 0.052 18612 5168 1 8 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.500 -0.120 18612 5169 1 8 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.709 0.132 18612 5170 1 8 . 1 1 32 32 GLU H H 32 7.667 7.667 7.833 -0.166 18612 5171 1 8 . 1 1 33 33 GLU N N 33 120.010 120.010 118.869 1.141 18612 5172 1 8 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.119 0.099 18612 5173 1 8 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.304 -0.924 18612 5174 1 8 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.798 -1.618 18612 5175 1 8 . 1 1 33 33 GLU H H 33 8.156 8.156 8.095 0.061 18612 5176 1 8 . 1 1 34 34 VAL N N 34 125.322 125.322 117.670 7.652 18612 5177 1 8 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.561 0.081 18612 5178 1 8 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.625 0.225 18612 5179 1 8 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.147 0.693 18612 5180 1 8 . 1 1 34 34 VAL H H 34 9.243 9.243 8.355 0.888 18612 5181 1 8 . 1 1 35 35 ALA N N 35 123.214 123.214 121.904 1.310 18612 5182 1 8 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.953 0.145 18612 5183 1 8 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.208 0.534 18612 5184 1 8 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.077 -0.827 18612 5185 1 8 . 1 1 35 35 ALA H H 35 8.160 8.160 7.804 0.356 18612 5186 1 8 . 1 1 36 36 LYS N N 36 117.979 117.979 119.041 -1.062 18612 5187 1 8 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.010 -0.015 18612 5188 1 8 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.607 0.193 18612 5189 1 8 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.380 0.482 18612 5190 1 8 . 1 1 36 36 LYS H H 36 7.607 7.607 7.676 -0.069 18612 5191 1 8 . 1 1 37 37 LEU N N 37 120.957 120.957 119.375 1.582 18612 5192 1 8 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.158 -0.155 18612 5193 1 8 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.389 0.121 18612 5194 1 8 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.421 0.609 18612 5195 1 8 . 1 1 37 37 LEU H H 37 7.762 7.762 7.675 0.087 18612 5196 1 8 . 1 1 38 38 LEU N N 38 118.910 118.910 121.172 -2.262 18612 5197 1 8 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.838 0.138 18612 5198 1 8 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.228 0.042 18612 5199 1 8 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.013 -0.055 18612 5200 1 8 . 1 1 38 38 LEU H H 38 8.636 8.636 7.837 0.799 18612 5201 1 8 . 1 1 39 39 LYS N N 39 120.804 120.804 117.523 3.281 18612 5202 1 8 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.982 0.098 18612 5203 1 8 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.279 0.173 18612 5204 1 8 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.272 0.386 18612 5205 1 8 . 1 1 39 39 LYS H H 39 7.864 7.864 7.702 0.162 18612 5206 1 8 . 1 1 40 40 LEU N N 40 120.940 120.940 120.793 0.147 18612 5207 1 8 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.012 0.098 18612 5208 1 8 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.425 -0.485 18612 5209 1 8 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.720 1.366 18612 5210 1 8 . 1 1 40 40 LEU H H 40 7.831 7.831 7.863 -0.032 18612 5211 1 8 . 1 1 41 41 LYS N N 41 117.563 117.563 118.932 -1.369 18612 5212 1 8 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.960 -0.110 18612 5213 1 8 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.445 0.635 18612 5214 1 8 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.863 0.640 18612 5215 1 8 . 1 1 41 41 LYS H H 41 8.493 8.493 8.491 0.002 18612 5216 1 8 . 1 1 42 42 ALA N N 42 121.396 121.396 122.183 -0.787 18612 5217 1 8 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.156 0.033 18612 5218 1 8 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.563 -0.283 18612 5219 1 8 . 1 1 42 42 ALA CB C 42 17.900 17.900 17.956 -0.056 18612 5220 1 8 . 1 1 42 42 ALA H H 42 7.918 7.918 7.739 0.179 18612 5221 1 8 . 1 1 43 43 GLN N N 43 116.883 116.883 116.906 -0.023 18612 5222 1 8 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.223 -0.087 18612 5223 1 8 . 1 1 43 43 GLN CA C 43 57.410 57.410 57.939 -0.529 18612 5224 1 8 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.138 0.442 18612 5225 1 8 . 1 1 43 43 GLN H H 43 7.591 7.591 7.579 0.012 18612 5226 1 8 . 1 1 44 44 LEU N N 44 119.828 119.828 118.281 1.547 18612 5227 1 8 . 1 1 44 44 LEU HA H 44 4.208 4.208 3.959 0.249 18612 5228 1 8 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.929 -0.852 18612 5229 1 8 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.821 0.606 18612 5230 1 8 . 1 1 44 44 LEU H H 44 7.574 7.574 7.799 -0.225 18612 5231 1 8 . 1 1 45 45 GLY N N 45 106.906 106.906 105.641 1.265 18612 5232 1 8 . 1 1 45 45 GLY CA C 45 44.524 44.524 45.197 -0.673 18612 5233 1 8 . 1 1 45 45 GLY H H 45 7.687 7.687 7.710 -0.023 18612 5234 1 8 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.421 0.026 18612 5235 1 8 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.747 0.363 18612 5236 1 8 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.347 0.083 18612 5237 1 8 . 1 1 47 47 ASP N N 47 121.060 121.060 122.292 -1.232 18612 5238 1 8 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.820 -0.242 18612 5239 1 8 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.983 0.499 18612 5240 1 8 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.813 -1.810 18612 5241 1 8 . 1 1 47 47 ASP H H 47 8.446 8.446 8.535 -0.089 18612 5242 1 8 . 1 1 48 48 GLU N N 48 123.347 123.347 123.741 -0.394 18612 5243 1 8 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.328 -0.084 18612 5244 1 8 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.364 -0.433 18612 5245 1 8 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.831 -0.284 18612 5246 1 8 . 1 1 48 48 GLU H H 48 8.577 8.577 8.762 -0.185 18612 5247 1 8 . 1 1 49 49 SER N N 49 116.751 116.751 116.463 0.288 18612 5248 1 8 . 1 1 49 49 SER HA H 49 4.349 4.349 4.265 0.084 18612 5249 1 8 . 1 1 49 49 SER CA C 49 59.380 59.380 59.984 -0.604 18612 5250 1 8 . 1 1 49 49 SER CB C 49 63.460 63.460 63.476 -0.016 18612 5251 1 8 . 1 1 49 49 SER H H 49 8.399 8.399 8.339 0.060 18612 5252 1 8 . 1 1 50 50 LYS N N 50 121.935 121.935 121.649 0.286 18612 5253 1 8 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.223 0.218 18612 5254 1 8 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.990 -0.471 18612 5255 1 8 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.493 -2.038 18612 5256 1 8 . 1 1 50 50 LYS H H 50 8.058 8.058 8.248 -0.190 18612 5257 1 8 . 1 1 51 51 GLN N N 51 122.155 122.155 120.374 1.781 18612 5258 1 8 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.007 0.196 18612 5259 1 8 . 1 1 51 51 GLN CA C 51 57.209 57.209 57.396 -0.187 18612 5260 1 8 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.297 1.491 18612 5261 1 8 . 1 1 51 51 GLN H H 51 8.273 8.273 8.229 0.044 18612 5262 1 8 . 1 1 52 52 LYS N N 52 122.761 122.761 118.070 4.691 18612 5263 1 8 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.161 0.154 18612 5264 1 8 . 1 1 52 52 LYS CA C 52 56.480 56.480 56.511 -0.031 18612 5265 1 8 . 1 1 52 52 LYS CB C 52 32.922 32.922 34.097 -1.175 18612 5266 1 8 . 1 1 52 52 LYS H H 52 8.251 8.251 8.119 0.132 18612 5267 1 8 . 1 1 53 53 PHE N N 53 121.326 121.326 121.157 0.169 18612 5268 1 8 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.691 -0.047 18612 5269 1 8 . 1 1 53 53 PHE CA C 53 57.640 57.640 56.540 1.100 18612 5270 1 8 . 1 1 53 53 PHE CB C 53 39.588 39.588 41.084 -1.496 18612 5271 1 8 . 1 1 53 53 PHE H H 53 8.153 8.153 7.941 0.212 18612 5272 1 8 . 1 1 54 54 VAL N N 54 122.941 122.941 123.066 -0.125 18612 5273 1 8 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.114 -0.071 18612 5274 1 8 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.775 -0.795 18612 5275 1 8 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.384 0.797 18612 5276 1 8 . 1 1 54 54 VAL H H 54 7.960 7.960 8.481 -0.521 18612 5277 1 8 . 1 1 55 55 LEU N N 55 126.751 126.751 126.793 -0.042 18612 5278 1 8 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.611 -0.298 18612 5279 1 8 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.113 0.947 18612 5280 1 8 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.617 -0.302 18612 5281 1 8 . 1 1 55 55 LEU H H 55 8.226 8.226 8.348 -0.122 18612 5282 1 8 . 1 1 56 56 LYS N N 56 123.614 123.614 124.217 -0.603 18612 5283 1 8 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.527 -0.155 18612 5284 1 8 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.664 0.248 18612 5285 1 8 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.114 0.077 18612 5286 1 8 . 1 1 56 56 LYS H H 56 8.320 8.320 8.535 -0.215 18612 5287 1 8 . 1 1 57 57 THR N N 57 115.794 115.794 118.006 -2.212 18612 5288 1 8 . 1 1 57 57 THR HA H 57 4.349 4.349 4.541 -0.192 18612 5289 1 8 . 1 1 57 57 THR CA C 57 58.960 58.960 60.083 -1.123 18612 5290 1 8 . 1 1 57 57 THR CB C 57 70.740 70.740 68.205 2.535 18612 5291 1 8 . 1 1 57 57 THR H H 57 7.892 7.892 8.307 -0.415 18612 5292 1 8 . 1 1 59 59 LYS N N 59 121.755 121.755 122.822 -1.067 18612 5293 1 8 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.344 -0.117 18612 5294 1 8 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.916 0.604 18612 5295 1 8 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.443 -0.349 18612 5296 1 8 . 1 1 59 59 LYS H H 59 8.300 8.300 8.354 -0.054 18612 5297 1 8 . 1 1 60 60 ALA N N 60 125.263 125.263 123.400 1.863 18612 5298 1 8 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.509 -0.231 18612 5299 1 8 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.027 0.837 18612 5300 1 8 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.193 -0.213 18612 5301 1 8 . 1 1 60 60 ALA H H 60 8.290 8.290 8.461 -0.171 18612 5302 1 8 . 1 1 61 61 LEU N N 61 121.255 121.255 121.773 -0.518 18612 5303 1 8 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.392 -0.112 18612 5304 1 8 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.512 1.073 18612 5305 1 8 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.829 0.416 18612 5306 1 8 . 1 1 61 61 LEU H H 61 8.144 8.144 7.756 0.388 18612 5307 1 8 . 1 1 62 62 GLU N N 62 121.401 121.401 124.718 -3.317 18612 5308 1 8 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.360 -0.084 18612 5309 1 8 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.663 0.267 18612 5310 1 8 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.486 -0.251 18612 5311 1 8 . 1 1 62 62 GLU H H 62 8.266 8.266 8.446 -0.180 18612 5312 1 8 . 1 1 64 64 LYS N N 64 120.575 120.575 122.376 -1.801 18612 5313 1 8 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.339 -0.095 18612 5314 1 8 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.550 -0.465 18612 5315 1 8 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.119 -3.649 18612 5316 1 8 . 1 1 64 64 LYS H H 64 8.106 8.106 8.184 -0.078 18612 5317 1 8 . 1 1 65 65 ILE N N 65 122.492 122.492 118.402 4.090 18612 5318 1 8 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.495 -0.355 18612 5319 1 8 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.698 0.482 18612 5320 1 8 . 1 1 65 65 ILE CB C 65 38.550 38.550 40.604 -2.054 18612 5321 1 8 . 1 1 65 65 ILE H H 65 8.135 8.135 8.164 -0.029 18612 5322 1 8 . 1 1 66 66 ARG N N 66 125.714 125.714 116.670 9.044 18612 5323 1 8 . 1 1 66 66 ARG HA H 66 4.468 4.468 3.952 0.516 18612 5324 1 8 . 1 1 66 66 ARG CA C 66 56.067 56.067 58.216 -2.149 18612 5325 1 8 . 1 1 66 66 ARG CB C 66 31.026 31.026 28.705 2.321 18612 5326 1 8 . 1 1 66 66 ARG H H 66 8.402 8.402 8.882 -0.480 18612 5327 1 8 . 1 1 67 67 THR N N 67 115.622 115.622 112.384 3.238 18612 5328 1 8 . 1 1 67 67 THR HA H 67 4.445 4.445 4.539 -0.094 18612 5329 1 8 . 1 1 67 67 THR CA C 67 61.650 61.650 61.573 0.077 18612 5330 1 8 . 1 1 67 67 THR CB C 67 69.620 69.620 70.122 -0.502 18612 5331 1 8 . 1 1 67 67 THR H H 67 8.281 8.281 8.250 0.031 18612 5332 1 8 . 1 1 68 68 THR N N 68 116.774 116.774 114.703 2.071 18612 5333 1 8 . 1 1 68 68 THR HA H 68 4.503 4.503 4.366 0.137 18612 5334 1 8 . 1 1 68 68 THR CA C 68 61.050 61.050 63.588 -2.538 18612 5335 1 8 . 1 1 68 68 THR CB C 68 69.210 69.210 68.484 0.726 18612 5336 1 8 . 1 1 68 68 THR H H 68 8.076 8.076 8.175 -0.099 18612 5337 1 8 . 1 1 69 69 GLU N N 69 124.048 124.048 122.424 1.624 18612 5338 1 8 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.411 -0.035 18612 5339 1 8 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.858 -0.458 18612 5340 1 8 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.687 -0.069 18612 5341 1 8 . 1 1 69 69 GLU H H 69 8.515 8.515 8.698 -0.183 18612 5342 1 8 . 1 1 70 70 THR N N 70 118.988 118.988 112.366 6.622 18612 5343 1 8 . 1 1 70 70 THR HA H 70 3.741 3.741 4.541 -0.800 18612 5344 1 8 . 1 1 70 70 THR CA C 70 64.680 64.680 62.678 2.002 18612 5345 1 8 . 1 1 70 70 THR CB C 70 68.770 68.770 69.977 -1.207 18612 5346 1 8 . 1 1 70 70 THR H H 70 8.259 8.259 7.492 0.767 18612 5347 1 8 . 1 1 71 71 GLN N N 71 125.858 125.858 127.838 -1.980 18612 5348 1 8 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.639 -0.345 18612 5349 1 8 . 1 1 71 71 GLN CA C 71 57.400 57.400 55.826 1.574 18612 5350 1 8 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.446 1.625 18612 5351 1 8 . 1 1 71 71 GLN H H 71 8.795 8.795 8.650 0.145 18612 5352 1 8 . 1 1 72 72 VAL N N 72 113.505 113.505 115.887 -2.382 18612 5353 1 8 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.287 0.611 18612 5354 1 8 . 1 1 72 72 VAL CA C 72 58.620 58.620 60.820 -2.200 18612 5355 1 8 . 1 1 72 72 VAL CB C 72 35.404 35.404 36.578 -1.174 18612 5356 1 8 . 1 1 72 72 VAL H H 72 7.325 7.325 7.758 -0.433 18612 5357 1 8 . 1 1 73 73 LEU N N 73 128.725 128.725 124.422 4.303 18612 5358 1 8 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.898 0.194 18612 5359 1 8 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.194 -0.454 18612 5360 1 8 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.763 -0.682 18612 5361 1 8 . 1 1 73 73 LEU H H 73 8.170 8.170 8.225 -0.055 18612 5362 1 8 . 1 1 74 74 VAL N N 74 127.634 127.634 122.871 4.763 18612 5363 1 8 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.159 0.607 18612 5364 1 8 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.227 0.862 18612 5365 1 8 . 1 1 74 74 VAL CB C 74 31.690 31.690 31.480 0.210 18612 5366 1 8 . 1 1 74 74 VAL H H 74 8.913 8.913 8.223 0.690 18612 5367 1 8 . 1 1 75 75 ALA N N 75 132.602 132.602 130.682 1.920 18612 5368 1 8 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.835 -0.028 18612 5369 1 8 . 1 1 75 75 ALA CA C 75 50.900 50.900 51.006 -0.106 18612 5370 1 8 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.707 2.213 18612 5371 1 8 . 1 1 75 75 ALA H H 75 9.421 9.421 8.438 0.983 18612 5372 1 8 . 1 1 76 76 SER N N 76 111.274 111.274 118.079 -6.805 18612 5373 1 8 . 1 1 76 76 SER HA H 76 4.951 4.951 4.775 0.176 18612 5374 1 8 . 1 1 76 76 SER CA C 76 56.940 56.940 57.518 -0.578 18612 5375 1 8 . 1 1 76 76 SER CB C 76 65.960 65.960 65.803 0.157 18612 5376 1 8 . 1 1 76 76 SER H H 76 8.106 8.106 8.532 -0.426 18612 5377 1 8 . 1 1 77 77 ALA N N 77 125.393 125.393 123.406 1.987 18612 5378 1 8 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.481 -0.020 18612 5379 1 8 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.876 0.878 18612 5380 1 8 . 1 1 77 77 ALA CB C 77 19.740 19.740 21.682 -1.942 18612 5381 1 8 . 1 1 77 77 ALA H H 77 9.004 9.004 8.310 0.694 18612 5382 1 8 . 1 1 78 78 GLN N N 78 116.290 116.290 118.495 -2.205 18612 5383 1 8 . 1 1 78 78 GLN HA H 78 4.443 4.443 3.970 0.473 18612 5384 1 8 . 1 1 78 78 GLN CA C 78 56.630 56.630 56.619 0.011 18612 5385 1 8 . 1 1 78 78 GLN CB C 78 30.553 30.553 28.878 1.675 18612 5386 1 8 . 1 1 78 78 GLN H H 78 7.985 7.985 8.555 -0.570 18612 5387 1 8 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.599 -0.036 18612 5388 1 8 . 1 1 81 81 LEU CA C 81 47.000 47.000 55.699 -8.699 18612 5389 1 8 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.677 -1.656 18612 5390 1 8 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.496 0.302 18612 5391 1 8 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.068 -0.162 18612 5392 1 8 . 1 1 85 85 ARG N N 85 119.948 119.948 119.598 0.350 18612 5393 1 8 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.063 -0.192 18612 5394 1 8 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.589 1.091 18612 5395 1 8 . 1 1 85 85 ARG CB C 85 31.921 31.921 30.050 1.871 18612 5396 1 8 . 1 1 85 85 ARG H H 85 8.229 8.229 8.220 0.009 18612 5397 1 8 . 1 1 86 86 LEU N N 86 120.227 120.227 120.759 -0.532 18612 5398 1 8 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.849 -0.023 18612 5399 1 8 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.316 -0.126 18612 5400 1 8 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.637 -0.049 18612 5401 1 8 . 1 1 86 86 LEU H H 86 8.459 8.459 8.556 -0.097 18612 5402 1 8 . 1 1 87 87 LYS N N 87 120.470 120.470 119.214 1.256 18612 5403 1 8 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.956 0.065 18612 5404 1 8 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.359 0.021 18612 5405 1 8 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.070 0.828 18612 5406 1 8 . 1 1 87 87 LYS H H 87 7.945 7.945 7.680 0.265 18612 5407 1 8 . 1 1 88 88 LEU N N 88 119.799 119.799 120.486 -0.687 18612 5408 1 8 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.065 0.142 18612 5409 1 8 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.696 -0.015 18612 5410 1 8 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.219 0.006 18612 5411 1 8 . 1 1 88 88 LEU H H 88 7.547 7.547 7.741 -0.194 18612 5412 1 8 . 1 1 89 89 VAL N N 89 118.828 118.828 119.082 -0.254 18612 5413 1 8 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.491 -0.173 18612 5414 1 8 . 1 1 89 89 VAL CA C 89 67.750 67.750 67.512 0.238 18612 5415 1 8 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.492 -0.114 18612 5416 1 8 . 1 1 89 89 VAL H H 89 8.347 8.347 8.359 -0.012 18612 5417 1 8 . 1 1 90 90 SER N N 90 114.835 114.835 115.673 -0.838 18612 5418 1 8 . 1 1 90 90 SER HA H 90 4.207 4.207 3.977 0.230 18612 5419 1 8 . 1 1 90 90 SER CA C 90 62.000 62.000 61.928 0.072 18612 5420 1 8 . 1 1 90 90 SER CB C 90 62.770 62.770 62.867 -0.097 18612 5421 1 8 . 1 1 90 90 SER H H 90 7.942 7.942 8.381 -0.439 18612 5422 1 8 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.052 -0.009 18612 5423 1 8 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.708 -0.268 18612 5424 1 8 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.807 0.427 18612 5425 1 8 . 1 1 92 92 LEU N N 92 119.720 119.720 118.545 1.175 18612 5426 1 8 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.059 -0.111 18612 5427 1 8 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.309 0.811 18612 5428 1 8 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.502 -0.926 18612 5429 1 8 . 1 1 92 92 LEU H H 92 8.379 8.379 8.487 -0.108 18612 5430 1 8 . 1 1 93 93 GLN N N 93 120.938 120.938 121.441 -0.503 18612 5431 1 8 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.834 -0.281 18612 5432 1 8 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.725 0.325 18612 5433 1 8 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.896 -0.916 18612 5434 1 8 . 1 1 93 93 GLN H H 93 8.751 8.751 8.343 0.408 18612 5435 1 8 . 1 1 94 94 ASP N N 94 122.442 122.442 120.928 1.514 18612 5436 1 8 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.497 -0.038 18612 5437 1 8 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.843 0.257 18612 5438 1 8 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.081 -0.820 18612 5439 1 8 . 1 1 94 94 ASP H H 94 8.470 8.470 8.306 0.164 18612 5440 1 8 . 1 1 95 95 ALA N N 95 120.437 120.437 120.327 0.110 18612 5441 1 8 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.490 0.022 18612 5442 1 8 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.572 -1.827 18612 5443 1 8 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.534 0.486 18612 5444 1 8 . 1 1 95 95 ALA H H 95 7.340 7.340 7.857 -0.517 18612 5445 1 8 . 1 1 96 96 GLY N N 96 106.865 106.865 105.053 1.812 18612 5446 1 8 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.760 0.530 18612 5447 1 8 . 1 1 96 96 GLY H H 96 7.987 7.987 7.613 0.374 18612 5448 1 8 . 1 1 97 97 ILE N N 97 122.489 122.489 114.114 8.375 18612 5449 1 8 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.592 -0.338 18612 5450 1 8 . 1 1 97 97 ILE CA C 97 58.650 58.650 57.990 0.660 18612 5451 1 8 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.066 -3.093 18612 5452 1 8 . 1 1 97 97 ILE H H 97 8.062 8.062 8.145 -0.083 18612 5453 1 8 . 1 1 98 98 LYS N N 98 127.459 127.459 124.447 3.012 18612 5454 1 8 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.258 0.249 18612 5455 1 8 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.924 -1.003 18612 5456 1 8 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.927 -0.493 18612 5457 1 8 . 1 1 98 98 LYS H H 98 8.574 8.574 8.778 -0.204 18612 5458 1 8 . 1 1 99 99 ALA N N 99 130.423 130.423 128.544 1.879 18612 5459 1 8 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.161 0.603 18612 5460 1 8 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.688 -1.476 18612 5461 1 8 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.948 3.921 18612 5462 1 8 . 1 1 99 99 ALA H H 99 7.813 7.813 8.278 -0.465 18612 5463 1 8 . 1 1 100 100 GLU N N 100 118.988 118.988 121.645 -2.657 18612 5464 1 8 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.503 0.332 18612 5465 1 8 . 1 1 100 100 GLU CA C 100 54.706 54.706 56.151 -1.445 18612 5466 1 8 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.850 2.071 18612 5467 1 8 . 1 1 100 100 GLU H H 100 8.226 8.226 8.444 -0.218 18612 5468 1 8 . 1 1 101 101 LEU N N 101 120.024 120.024 124.609 -4.585 18612 5469 1 8 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.431 0.283 18612 5470 1 8 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.193 0.567 18612 5471 1 8 . 1 1 101 101 LEU CB C 101 44.084 44.084 42.761 1.323 18612 5472 1 8 . 1 1 101 101 LEU H H 101 8.478 8.478 8.446 0.032 18612 5473 1 8 . 1 1 102 102 LEU N N 102 118.623 118.623 122.449 -3.826 18612 5474 1 8 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.436 -0.402 18612 5475 1 8 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.535 4.926 18612 5476 1 8 . 1 1 102 102 LEU CB C 102 41.225 41.225 44.787 -3.562 18612 5477 1 8 . 1 1 102 102 LEU H H 102 8.763 8.763 7.965 0.798 18612 5478 1 8 . 1 1 103 103 TYR N N 103 115.970 115.970 115.356 0.614 18612 5479 1 8 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.150 0.432 18612 5480 1 8 . 1 1 103 103 TYR CA C 103 55.973 55.973 59.274 -3.301 18612 5481 1 8 . 1 1 103 103 TYR CB C 103 38.732 38.732 37.341 1.391 18612 5482 1 8 . 1 1 103 103 TYR H H 103 7.378 7.378 8.390 -1.012 18612 5483 1 8 . 1 1 104 104 LYS N N 104 120.577 120.577 117.954 2.623 18612 5484 1 8 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.582 -0.443 18612 5485 1 8 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.436 0.044 18612 5486 1 8 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.338 -0.416 18612 5487 1 8 . 1 1 104 104 LYS H H 104 7.906 7.906 7.786 0.120 18612 5488 1 8 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.989 0.040 18612 5489 1 8 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.231 -0.232 18612 5490 1 8 . 1 1 113 113 LEU N N 113 120.147 120.147 121.290 -1.143 18612 5491 1 8 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.310 -0.327 18612 5492 1 8 . 1 1 113 113 LEU CA C 113 58.420 58.420 56.897 1.523 18612 5493 1 8 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.437 -0.844 18612 5494 1 8 . 1 1 113 113 LEU H H 113 8.365 8.365 7.932 0.433 18612 5495 1 8 . 1 1 114 114 GLN N N 114 119.995 119.995 118.470 1.525 18612 5496 1 8 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.852 0.185 18612 5497 1 8 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.903 0.067 18612 5498 1 8 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.782 -0.591 18612 5499 1 8 . 1 1 114 114 GLN H H 114 8.126 8.126 8.563 -0.437 18612 5500 1 8 . 1 1 115 115 TYR N N 115 120.358 120.358 121.264 -0.906 18612 5501 1 8 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.214 0.081 18612 5502 1 8 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.672 0.358 18612 5503 1 8 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.778 -1.009 18612 5504 1 8 . 1 1 115 115 TYR H H 115 7.819 7.819 8.038 -0.219 18612 5505 1 8 . 1 1 116 116 CYS N N 116 116.264 116.264 116.623 -0.359 18612 5506 1 8 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.014 -0.198 18612 5507 1 8 . 1 1 116 116 CYS CA C 116 64.230 64.230 60.260 3.970 18612 5508 1 8 . 1 1 116 116 CYS CB C 116 27.320 27.320 26.899 0.421 18612 5509 1 8 . 1 1 116 116 CYS H H 116 7.710 7.710 7.911 -0.201 18612 5510 1 8 . 1 1 117 117 GLU N N 117 119.526 119.526 121.585 -2.059 18612 5511 1 8 . 1 1 117 117 GLU HA H 117 3.848 3.848 3.923 -0.075 18612 5512 1 8 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.311 -0.161 18612 5513 1 8 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.400 0.300 18612 5514 1 8 . 1 1 117 117 GLU H H 117 7.912 7.912 7.604 0.308 18612 5515 1 8 . 1 1 118 118 GLU N N 118 119.875 119.875 119.464 0.411 18612 5516 1 8 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.180 -0.211 18612 5517 1 8 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.380 0.400 18612 5518 1 8 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.877 -0.067 18612 5519 1 8 . 1 1 118 118 GLU H H 118 7.988 7.988 7.661 0.327 18612 5520 1 8 . 1 1 119 119 ALA N N 119 119.118 119.118 122.679 -3.561 18612 5521 1 8 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.353 -0.187 18612 5522 1 8 . 1 1 119 119 ALA CA C 119 52.654 52.654 50.785 1.869 18612 5523 1 8 . 1 1 119 119 ALA CB C 119 19.080 19.080 17.281 1.799 18612 5524 1 8 . 1 1 119 119 ALA H H 119 8.137 8.137 7.472 0.665 18612 5525 1 8 . 1 1 120 120 GLY N N 120 106.604 106.604 107.733 -1.129 18612 5526 1 8 . 1 1 120 120 GLY CA C 120 46.377 46.377 46.040 0.337 18612 5527 1 8 . 1 1 120 120 GLY H H 120 7.550 7.550 7.465 0.085 18612 5528 1 8 . 1 1 121 121 ILE N N 121 124.026 124.026 122.098 1.928 18612 5529 1 8 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.137 -0.126 18612 5530 1 8 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.817 1.233 18612 5531 1 8 . 1 1 121 121 ILE CB C 121 40.051 40.051 38.974 1.077 18612 5532 1 8 . 1 1 121 121 ILE H H 121 7.918 7.918 7.711 0.207 18612 5533 1 8 . 1 1 123 123 LEU N N 123 119.541 119.541 126.499 -6.958 18612 5534 1 8 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.540 0.963 18612 5535 1 8 . 1 1 123 123 LEU CA C 123 53.686 53.686 55.404 -1.718 18612 5536 1 8 . 1 1 123 123 LEU CB C 123 47.057 47.057 41.713 5.344 18612 5537 1 8 . 1 1 123 123 LEU H H 123 6.973 6.973 8.121 -1.148 18612 5538 1 8 . 1 1 124 124 VAL N N 124 119.580 119.580 127.466 -7.886 18612 5539 1 8 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.727 0.309 18612 5540 1 8 . 1 1 124 124 VAL CA C 124 59.580 59.580 61.405 -1.825 18612 5541 1 8 . 1 1 124 124 VAL CB C 124 35.257 35.257 32.378 2.879 18612 5542 1 8 . 1 1 124 124 VAL H H 124 8.823 8.823 8.152 0.671 18612 5543 1 8 . 1 1 125 125 ALA N N 125 130.810 130.810 130.403 0.407 18612 5544 1 8 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.947 0.209 18612 5545 1 8 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.275 -1.080 18612 5546 1 8 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.227 -1.167 18612 5547 1 8 . 1 1 125 125 ALA H H 125 9.083 9.083 8.562 0.521 18612 5548 1 8 . 1 1 126 126 ILE N N 126 124.925 124.925 125.702 -0.777 18612 5549 1 8 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.597 -0.094 18612 5550 1 8 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.520 1.440 18612 5551 1 8 . 1 1 126 126 ILE CB C 126 39.805 39.805 35.419 4.386 18612 5552 1 8 . 1 1 126 126 ILE H H 126 9.564 9.564 8.540 1.024 18612 5553 1 8 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.246 0.397 18612 5554 1 8 . 1 1 127 127 ILE CA C 127 59.440 59.440 62.127 -2.687 18612 5555 1 8 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.319 1.683 18612 5556 1 8 . 1 1 129 129 GLU N N 129 121.547 121.547 121.283 0.264 18612 5557 1 8 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.209 -0.261 18612 5558 1 8 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.479 2.921 18612 5559 1 8 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.659 0.643 18612 5560 1 8 . 1 1 129 129 GLU H H 129 9.035 9.035 8.136 0.899 18612 5561 1 8 . 1 1 130 130 GLN N N 130 120.221 120.221 120.605 -0.384 18612 5562 1 8 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.089 -0.212 18612 5563 1 8 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.525 -1.105 18612 5564 1 8 . 1 1 130 130 GLN CB C 130 28.400 28.400 29.008 -0.608 18612 5565 1 8 . 1 1 130 130 GLN H H 130 8.914 8.914 8.553 0.361 18612 5566 1 8 . 1 1 131 131 GLU N N 131 120.680 120.680 120.180 0.500 18612 5567 1 8 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.120 -0.181 18612 5568 1 8 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.905 2.305 18612 5569 1 8 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.563 -1.393 18612 5570 1 8 . 1 1 131 131 GLU H H 131 8.871 8.871 7.881 0.990 18612 5571 1 8 . 1 1 132 132 LEU N N 132 118.303 118.303 120.011 -1.708 18612 5572 1 8 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.023 0.339 18612 5573 1 8 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.015 -1.899 18612 5574 1 8 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.089 -0.266 18612 5575 1 8 . 1 1 132 132 LEU H H 132 8.152 8.152 7.734 0.418 18612 5576 1 8 . 1 1 133 133 LYS N N 133 120.924 120.924 118.639 2.285 18612 5577 1 8 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.205 -0.124 18612 5578 1 8 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.847 0.733 18612 5579 1 8 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.686 -0.214 18612 5580 1 8 . 1 1 133 133 LYS H H 133 7.631 7.631 7.751 -0.120 18612 5581 1 8 . 1 1 134 134 ASP N N 134 118.256 118.256 117.196 1.060 18612 5582 1 8 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.634 0.035 18612 5583 1 8 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.558 -0.407 18612 5584 1 8 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.398 -0.017 18612 5585 1 8 . 1 1 134 134 ASP H H 134 7.985 7.985 8.036 -0.051 18612 5586 1 8 . 1 1 135 135 GLY N N 135 109.383 109.383 106.185 3.198 18612 5587 1 8 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.068 1.495 18612 5588 1 8 . 1 1 135 135 GLY H H 135 8.019 8.019 8.180 -0.161 18612 5589 1 8 . 1 1 136 136 VAL N N 136 117.112 117.112 117.348 -0.236 18612 5590 1 8 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.027 0.876 18612 5591 1 8 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.216 -1.266 18612 5592 1 8 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.831 2.054 18612 5593 1 8 . 1 1 136 136 VAL H H 136 8.229 8.229 7.591 0.638 18612 5594 1 8 . 1 1 137 137 ILE N N 137 121.971 121.971 121.094 0.877 18612 5595 1 8 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.570 -0.396 18612 5596 1 8 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.460 -1.900 18612 5597 1 8 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.078 0.711 18612 5598 1 8 . 1 1 137 137 ILE H H 137 8.975 8.975 8.058 0.917 18612 5599 1 8 . 1 1 138 138 LYS N N 138 126.613 126.613 125.254 1.359 18612 5600 1 8 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.964 -0.040 18612 5601 1 8 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.093 0.622 18612 5602 1 8 . 1 1 138 138 LYS CB C 138 33.217 33.217 35.257 -2.040 18612 5603 1 8 . 1 1 138 138 LYS H H 138 7.726 7.726 8.170 -0.444 18612 5604 1 8 . 1 1 139 139 LEU N N 139 129.177 129.177 127.217 1.960 18612 5605 1 8 . 1 1 139 139 LEU HA H 139 5.203 5.203 5.229 -0.026 18612 5606 1 8 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.773 -0.483 18612 5607 1 8 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.790 -0.030 18612 5608 1 8 . 1 1 139 139 LEU H H 139 9.404 9.404 8.442 0.962 18612 5609 1 8 . 1 1 140 140 ARG N N 140 128.243 128.243 122.602 5.641 18612 5610 1 8 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.768 0.494 18612 5611 1 8 . 1 1 140 140 ARG CA C 140 53.685 53.685 54.757 -1.072 18612 5612 1 8 . 1 1 140 140 ARG CB C 140 27.990 27.990 33.364 -5.374 18612 5613 1 8 . 1 1 140 140 ARG H H 140 9.540 9.540 8.998 0.542 18612 5614 1 8 . 1 1 142 142 VAL N N 142 129.670 129.670 122.187 7.483 18612 5615 1 8 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.689 -0.142 18612 5616 1 8 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.706 0.244 18612 5617 1 8 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.580 1.108 18612 5618 1 8 . 1 1 142 142 VAL H H 142 8.336 8.336 7.905 0.431 18612 5619 1 8 . 1 1 143 143 THR N N 143 111.061 111.061 113.475 -2.414 18612 5620 1 8 . 1 1 143 143 THR HA H 143 4.157 4.157 4.092 0.065 18612 5621 1 8 . 1 1 143 143 THR CA C 143 69.400 69.400 64.403 4.997 18612 5622 1 8 . 1 1 143 143 THR CB C 143 70.020 70.020 68.792 1.228 18612 5623 1 8 . 1 1 143 143 THR H H 143 8.248 8.248 8.329 -0.081 18612 5624 1 8 . 1 1 144 144 SER N N 144 115.158 115.158 115.858 -0.700 18612 5625 1 8 . 1 1 144 144 SER HA H 144 4.514 4.514 4.431 0.083 18612 5626 1 8 . 1 1 144 144 SER CA C 144 58.370 58.370 60.132 -1.762 18612 5627 1 8 . 1 1 144 144 SER CB C 144 64.500 64.500 63.544 0.956 18612 5628 1 8 . 1 1 144 144 SER H H 144 7.812 7.812 8.379 -0.567 18612 5629 1 8 . 1 1 145 145 ARG N N 145 116.527 116.527 120.079 -3.552 18612 5630 1 8 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.615 -0.789 18612 5631 1 8 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.214 2.086 18612 5632 1 8 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.376 -4.176 18612 5633 1 8 . 1 1 145 145 ARG H H 145 7.836 7.836 7.878 -0.042 18612 5634 1 8 . 1 1 146 146 GLU N N 146 119.889 119.889 115.830 4.059 18612 5635 1 8 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.339 -0.070 18612 5636 1 8 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.209 -0.279 18612 5637 1 8 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.587 -0.950 18612 5638 1 8 . 1 1 146 146 GLU H H 146 7.675 7.675 8.036 -0.361 18612 5639 1 8 . 1 1 147 147 GLU N N 147 124.286 124.286 118.906 5.380 18612 5640 1 8 . 1 1 147 147 GLU HA H 147 5.319 5.319 5.181 0.138 18612 5641 1 8 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.054 -0.119 18612 5642 1 8 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.529 0.211 18612 5643 1 8 . 1 1 147 147 GLU H H 147 8.602 8.602 8.081 0.521 18612 5644 1 8 . 1 1 148 148 VAL N N 148 120.587 120.587 118.828 1.759 18612 5645 1 8 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.248 0.286 18612 5646 1 8 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.388 -0.728 18612 5647 1 8 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.518 -0.828 18612 5648 1 8 . 1 1 148 148 VAL H H 148 8.536 8.536 8.634 -0.098 18612 5649 1 8 . 1 1 149 149 ASP N N 149 125.031 125.031 126.080 -1.049 18612 5650 1 8 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.086 0.068 18612 5651 1 8 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.669 0.244 18612 5652 1 8 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.015 -1.234 18612 5653 1 8 . 1 1 149 149 ASP H H 149 8.411 8.411 8.271 0.140 18612 5654 1 8 . 1 1 150 150 VAL N N 150 123.264 123.264 118.065 5.199 18612 5655 1 8 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.599 -0.199 18612 5656 1 8 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.098 0.542 18612 5657 1 8 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.821 -0.795 18612 5658 1 8 . 1 1 150 150 VAL H H 150 9.061 9.061 8.811 0.250 18612 5659 1 8 . 1 1 151 151 ARG N N 151 125.112 125.112 120.431 4.681 18612 5660 1 8 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.475 -0.067 18612 5661 1 8 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.829 2.281 18612 5662 1 8 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.512 -0.622 18612 5663 1 8 . 1 1 151 151 ARG H H 151 9.048 9.048 8.695 0.353 18612 5664 1 8 . 1 1 152 152 ARG N N 152 124.828 124.828 120.560 4.268 18612 5665 1 8 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.788 -0.122 18612 5666 1 8 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.796 0.234 18612 5667 1 8 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.706 1.304 18612 5668 1 8 . 1 1 152 152 ARG H H 152 8.582 8.582 8.790 -0.208 18612 5669 1 8 . 1 1 153 153 GLU N N 153 116.730 116.730 117.846 -1.116 18612 5670 1 8 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.147 0.053 18612 5671 1 8 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.422 -0.452 18612 5672 1 8 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.383 -0.803 18612 5673 1 8 . 1 1 153 153 GLU H H 153 9.924 9.924 8.532 1.392 18612 5674 1 8 . 1 1 154 154 ASP N N 154 119.318 119.318 119.903 -0.585 18612 5675 1 8 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.428 0.590 18612 5676 1 8 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.967 -2.575 18612 5677 1 8 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.354 1.936 18612 5678 1 8 . 1 1 154 154 ASP H H 154 7.758 7.758 8.771 -1.013 18612 5679 1 8 . 1 1 155 155 LEU N N 155 121.863 121.863 120.726 1.137 18612 5680 1 8 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.192 -0.377 18612 5681 1 8 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.573 1.597 18612 5682 1 8 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.280 0.348 18612 5683 1 8 . 1 1 155 155 LEU H H 155 7.315 7.315 7.479 -0.164 18612 5684 1 8 . 1 1 156 156 VAL N N 156 118.555 118.555 119.437 -0.882 18612 5685 1 8 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.516 -0.261 18612 5686 1 8 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.910 0.750 18612 5687 1 8 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.554 -0.324 18612 5688 1 8 . 1 1 156 156 VAL H H 156 8.490 8.490 7.715 0.775 18612 5689 1 8 . 1 1 157 157 GLU N N 157 118.568 118.568 118.989 -0.421 18612 5690 1 8 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.014 -0.104 18612 5691 1 8 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.840 -0.421 18612 5692 1 8 . 1 1 157 157 GLU H H 157 8.138 8.138 8.547 -0.409 18612 5693 1 8 . 1 1 158 158 GLU N N 158 118.484 118.484 120.231 -1.747 18612 5694 1 8 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.022 0.118 18612 5695 1 8 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.537 -2.247 18612 5696 1 8 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.702 -0.228 18612 5697 1 8 . 1 1 158 158 GLU H H 158 8.138 8.138 7.633 0.505 18612 5698 1 8 . 1 1 159 159 ILE N N 159 119.508 119.508 119.447 0.061 18612 5699 1 8 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.756 -0.328 18612 5700 1 8 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.137 0.753 18612 5701 1 8 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.783 -7.783 18612 5702 1 8 . 1 1 159 159 ILE H H 159 8.482 8.482 7.874 0.608 18612 5703 1 8 . 1 1 160 160 LYS N N 160 121.513 121.513 120.526 0.987 18612 5704 1 8 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.931 -0.153 18612 5705 1 8 . 1 1 160 160 LYS CA C 160 60.850 60.850 60.141 0.709 18612 5706 1 8 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.205 0.046 18612 5707 1 8 . 1 1 160 160 LYS H H 160 8.424 8.424 7.874 0.550 18612 5708 1 8 . 1 1 161 161 ARG N N 161 118.966 118.966 117.681 1.285 18612 5709 1 8 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.042 0.027 18612 5710 1 8 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.850 0.480 18612 5711 1 8 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.276 0.616 18612 5712 1 8 . 1 1 161 161 ARG H H 161 8.248 8.248 8.209 0.039 18612 5713 1 8 . 1 1 162 162 ARG N N 162 117.033 117.033 117.672 -0.639 18612 5714 1 8 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.095 0.147 18612 5715 1 8 . 1 1 162 162 ARG CA C 162 58.058 58.058 59.120 -1.062 18612 5716 1 8 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.450 1.340 18612 5717 1 8 . 1 1 162 162 ARG H H 162 7.811 7.811 7.698 0.113 18612 5718 1 8 . 1 1 163 163 THR N N 163 108.588 108.588 112.742 -4.154 18612 5719 1 8 . 1 1 163 163 THR HA H 163 4.549 4.549 4.127 0.422 18612 5720 1 8 . 1 1 163 163 THR CA C 163 61.820 61.820 64.499 -2.679 18612 5721 1 8 . 1 1 163 163 THR CB C 163 70.020 70.020 69.146 0.874 18612 5722 1 8 . 1 1 163 163 THR H H 163 7.831 7.831 8.036 -0.205 18612 5723 1 8 . 1 1 164 164 GLY N N 164 110.640 110.640 109.481 1.159 18612 5724 1 8 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.065 0.648 18612 5725 1 8 . 1 1 164 164 GLY H H 164 7.847 7.847 7.609 0.238 18612 5726 1 8 . 1 1 165 165 GLN N N 165 120.993 120.993 119.931 1.062 18612 5727 1 8 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.081 -0.139 18612 5728 1 8 . 1 1 165 165 GLN CA C 165 56.077 56.077 55.700 0.377 18612 5729 1 8 . 1 1 165 165 GLN CB C 165 29.569 29.569 28.544 1.025 18612 5730 1 8 . 1 1 165 165 GLN H H 165 8.141 8.141 8.249 -0.108 18612 5731 1 8 . 1 1 167 167 LEU N N 167 122.540 122.540 123.829 -1.289 18612 5732 1 8 . 1 1 167 167 LEU H H 167 8.370 8.370 8.436 -0.066 18612 5733 1 8 . 1 1 168 168 SER N N 168 116.635 116.635 117.365 -0.730 18612 5734 1 8 . 1 1 168 168 SER H H 168 8.269 8.269 8.165 0.104 18612 5735 1 8 . 1 1 169 169 ILE N N 169 122.767 122.767 123.988 -1.221 18612 5736 1 8 . 1 1 169 169 ILE H H 169 8.165 8.165 8.164 0.001 18612 5737 1 9 . 1 1 2 2 GLU N N 2 120.329 120.329 120.012 0.317 18612 5738 1 9 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.445 -0.303 18612 5739 1 9 . 1 1 2 2 GLU CA C 2 59.070 59.070 57.861 1.209 18612 5740 1 9 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.173 -0.673 18612 5741 1 9 . 1 1 2 2 GLU H H 2 8.498 8.498 8.716 -0.218 18612 5742 1 9 . 1 1 3 3 ARG N N 3 121.547 121.547 119.796 1.751 18612 5743 1 9 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.020 0.004 18612 5744 1 9 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.494 -0.254 18612 5745 1 9 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.462 0.488 18612 5746 1 9 . 1 1 3 3 ARG H H 3 8.238 8.238 8.543 -0.305 18612 5747 1 9 . 1 1 4 4 ALA N N 4 121.449 121.449 121.138 0.311 18612 5748 1 9 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.007 0.196 18612 5749 1 9 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.341 -0.302 18612 5750 1 9 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.045 -0.135 18612 5751 1 9 . 1 1 4 4 ALA H H 4 8.068 8.068 8.299 -0.231 18612 5752 1 9 . 1 1 5 5 ALA N N 5 121.000 121.000 120.954 0.046 18612 5753 1 9 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.103 0.115 18612 5754 1 9 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.526 0.217 18612 5755 1 9 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.371 0.039 18612 5756 1 9 . 1 1 5 5 ALA H H 5 7.831 7.831 7.905 -0.074 18612 5757 1 9 . 1 1 6 6 LEU N N 6 121.402 121.402 120.140 1.262 18612 5758 1 9 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.886 0.275 18612 5759 1 9 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.297 -0.346 18612 5760 1 9 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.624 0.417 18612 5761 1 9 . 1 1 6 6 LEU H H 6 7.919 7.919 8.532 -0.613 18612 5762 1 9 . 1 1 7 7 GLU N N 7 119.203 119.203 118.049 1.154 18612 5763 1 9 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.865 -0.007 18612 5764 1 9 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.078 0.152 18612 5765 1 9 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.388 0.152 18612 5766 1 9 . 1 1 7 7 GLU H H 7 8.706 8.706 8.489 0.217 18612 5767 1 9 . 1 1 8 8 GLU N N 8 120.194 120.194 119.906 0.288 18612 5768 1 9 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.108 0.087 18612 5769 1 9 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.963 0.207 18612 5770 1 9 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.296 0.164 18612 5771 1 9 . 1 1 8 8 GLU H H 8 7.761 7.761 7.720 0.041 18612 5772 1 9 . 1 1 9 9 LEU N N 9 120.526 120.526 120.352 0.174 18612 5773 1 9 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.085 0.079 18612 5774 1 9 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.162 -0.042 18612 5775 1 9 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.936 -0.148 18612 5776 1 9 . 1 1 9 9 LEU H H 9 7.913 7.913 8.118 -0.205 18612 5777 1 9 . 1 1 10 10 VAL N N 10 120.804 120.804 119.567 1.237 18612 5778 1 9 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.471 -0.014 18612 5779 1 9 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.662 0.367 18612 5780 1 9 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.899 1.148 18612 5781 1 9 . 1 1 10 10 VAL H H 10 8.570 8.570 7.889 0.681 18612 5782 1 9 . 1 1 11 11 LYS N N 11 123.175 123.175 121.073 2.102 18612 5783 1 9 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.983 0.061 18612 5784 1 9 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.155 -0.285 18612 5785 1 9 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.503 -0.111 18612 5786 1 9 . 1 1 11 11 LYS H H 11 7.909 7.909 7.679 0.230 18612 5787 1 9 . 1 1 12 12 LEU N N 12 120.772 120.772 116.150 4.622 18612 5788 1 9 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.095 0.011 18612 5789 1 9 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.991 -0.071 18612 5790 1 9 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.051 0.786 18612 5791 1 9 . 1 1 12 12 LEU H H 12 8.436 8.436 7.784 0.652 18612 5792 1 9 . 1 1 13 13 GLN N N 13 121.677 121.677 119.915 1.762 18612 5793 1 9 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.032 0.302 18612 5794 1 9 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.580 -2.180 18612 5795 1 9 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.507 -1.987 18612 5796 1 9 . 1 1 13 13 GLN H H 13 8.710 8.710 7.880 0.830 18612 5797 1 9 . 1 1 14 14 GLY N N 14 109.543 109.543 107.914 1.629 18612 5798 1 9 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.209 0.354 18612 5799 1 9 . 1 1 14 14 GLY H H 14 8.714 8.714 8.700 0.014 18612 5800 1 9 . 1 1 15 15 GLU N N 15 123.144 123.144 121.796 1.348 18612 5801 1 9 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.978 0.170 18612 5802 1 9 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.909 -0.939 18612 5803 1 9 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.362 0.098 18612 5804 1 9 . 1 1 15 15 GLU H H 15 7.913 7.913 7.856 0.057 18612 5805 1 9 . 1 1 16 16 ARG N N 16 123.135 123.135 120.103 3.032 18612 5806 1 9 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.046 0.092 18612 5807 1 9 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.391 -0.421 18612 5808 1 9 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.287 -0.887 18612 5809 1 9 . 1 1 16 16 ARG H H 16 8.104 8.104 7.706 0.398 18612 5810 1 9 . 1 1 17 17 VAL N N 17 119.501 119.501 119.822 -0.321 18612 5811 1 9 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.515 -0.102 18612 5812 1 9 . 1 1 17 17 VAL CA C 17 67.450 67.450 67.155 0.295 18612 5813 1 9 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.491 0.567 18612 5814 1 9 . 1 1 17 17 VAL H H 17 8.192 8.192 8.262 -0.070 18612 5815 1 9 . 1 1 18 18 ARG N N 18 119.372 119.372 119.456 -0.084 18612 5816 1 9 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.953 -0.019 18612 5817 1 9 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.823 0.237 18612 5818 1 9 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.909 0.363 18612 5819 1 9 . 1 1 18 18 ARG H H 18 7.980 7.980 8.545 -0.565 18612 5820 1 9 . 1 1 19 19 GLY N N 19 107.241 107.241 107.749 -0.508 18612 5821 1 9 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.128 0.234 18612 5822 1 9 . 1 1 19 19 GLY H H 19 8.362 8.362 7.876 0.486 18612 5823 1 9 . 1 1 20 20 LEU N N 20 122.627 122.627 119.522 3.105 18612 5824 1 9 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.389 -0.340 18612 5825 1 9 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.542 0.347 18612 5826 1 9 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.636 0.783 18612 5827 1 9 . 1 1 20 20 LEU H H 20 8.049 8.049 7.756 0.293 18612 5828 1 9 . 1 1 21 21 LYS N N 21 118.255 118.255 120.253 -1.998 18612 5829 1 9 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.842 0.216 18612 5830 1 9 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.691 0.319 18612 5831 1 9 . 1 1 21 21 LYS CB C 21 32.594 32.594 31.959 0.635 18612 5832 1 9 . 1 1 21 21 LYS H H 21 8.123 8.123 8.641 -0.518 18612 5833 1 9 . 1 1 22 22 GLN N N 22 121.183 121.183 116.892 4.291 18612 5834 1 9 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.191 -0.104 18612 5835 1 9 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.345 0.415 18612 5836 1 9 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.120 -0.520 18612 5837 1 9 . 1 1 22 22 GLN H H 22 8.234 8.234 7.572 0.662 18612 5838 1 9 . 1 1 23 23 GLN N N 23 116.219 116.219 118.069 -1.850 18612 5839 1 9 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.261 0.002 18612 5840 1 9 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.387 -1.709 18612 5841 1 9 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.666 -0.396 18612 5842 1 9 . 1 1 23 23 GLN H H 23 7.820 7.820 7.852 -0.032 18612 5843 1 9 . 1 1 24 24 LYS N N 24 117.349 117.349 115.980 1.369 18612 5844 1 9 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.494 -0.582 18612 5845 1 9 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.662 1.368 18612 5846 1 9 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.679 -4.829 18612 5847 1 9 . 1 1 24 24 LYS H H 24 7.884 7.884 8.113 -0.229 18612 5848 1 9 . 1 1 25 25 ALA N N 25 119.909 119.909 121.494 -1.585 18612 5849 1 9 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.023 0.256 18612 5850 1 9 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.220 -1.200 18612 5851 1 9 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.175 4.145 18612 5852 1 9 . 1 1 25 25 ALA H H 25 7.620 7.620 7.855 -0.235 18612 5853 1 9 . 1 1 26 26 SER N N 26 113.188 113.188 115.579 -2.391 18612 5854 1 9 . 1 1 26 26 SER HA H 26 4.244 4.244 4.080 0.164 18612 5855 1 9 . 1 1 26 26 SER CA C 26 58.390 58.390 60.840 -2.450 18612 5856 1 9 . 1 1 26 26 SER CB C 26 63.830 63.830 63.373 0.457 18612 5857 1 9 . 1 1 26 26 SER H H 26 8.228 8.228 8.256 -0.028 18612 5858 1 9 . 1 1 27 27 ALA N N 27 127.550 127.550 120.226 7.324 18612 5859 1 9 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.975 0.009 18612 5860 1 9 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.354 1.228 18612 5861 1 9 . 1 1 27 27 ALA CB C 27 18.770 18.770 16.724 2.046 18612 5862 1 9 . 1 1 27 27 ALA H H 27 8.769 8.769 8.326 0.443 18612 5863 1 9 . 1 1 28 28 GLU N N 28 117.317 117.317 119.670 -2.353 18612 5864 1 9 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.029 0.045 18612 5865 1 9 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.519 0.181 18612 5866 1 9 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.657 -0.577 18612 5867 1 9 . 1 1 28 28 GLU H H 28 8.830 8.830 8.083 0.747 18612 5868 1 9 . 1 1 29 29 LEU N N 29 122.971 122.971 116.093 6.878 18612 5869 1 9 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.275 0.036 18612 5870 1 9 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.823 -0.253 18612 5871 1 9 . 1 1 29 29 LEU CB C 29 41.605 41.605 40.786 0.819 18612 5872 1 9 . 1 1 29 29 LEU H H 29 7.401 7.401 7.896 -0.495 18612 5873 1 9 . 1 1 30 30 ILE N N 30 118.784 118.784 119.864 -1.080 18612 5874 1 9 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.601 -0.204 18612 5875 1 9 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.232 1.078 18612 5876 1 9 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.312 0.511 18612 5877 1 9 . 1 1 30 30 ILE H H 30 8.019 8.019 7.943 0.076 18612 5878 1 9 . 1 1 31 31 GLU N N 31 118.215 118.215 119.051 -0.836 18612 5879 1 9 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.040 -0.072 18612 5880 1 9 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.890 -0.050 18612 5881 1 9 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.449 -0.009 18612 5882 1 9 . 1 1 31 31 GLU H H 31 8.367 8.367 8.462 -0.095 18612 5883 1 9 . 1 1 32 32 GLU N N 32 120.284 120.284 119.751 0.533 18612 5884 1 9 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.090 0.064 18612 5885 1 9 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.273 0.107 18612 5886 1 9 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.498 0.342 18612 5887 1 9 . 1 1 32 32 GLU H H 32 7.667 7.667 7.906 -0.239 18612 5888 1 9 . 1 1 33 33 GLU N N 33 120.010 120.010 118.922 1.088 18612 5889 1 9 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.143 0.075 18612 5890 1 9 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.379 -0.999 18612 5891 1 9 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.796 -1.616 18612 5892 1 9 . 1 1 33 33 GLU H H 33 8.156 8.156 8.420 -0.264 18612 5893 1 9 . 1 1 34 34 VAL N N 34 125.322 125.322 117.456 7.866 18612 5894 1 9 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.619 0.023 18612 5895 1 9 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.501 0.349 18612 5896 1 9 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.694 1.146 18612 5897 1 9 . 1 1 34 34 VAL H H 34 9.243 9.243 8.123 1.120 18612 5898 1 9 . 1 1 35 35 ALA N N 35 123.214 123.214 123.052 0.162 18612 5899 1 9 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.988 0.110 18612 5900 1 9 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.244 0.498 18612 5901 1 9 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.328 -1.078 18612 5902 1 9 . 1 1 35 35 ALA H H 35 8.160 8.160 7.908 0.252 18612 5903 1 9 . 1 1 36 36 LYS N N 36 117.979 117.979 119.173 -1.194 18612 5904 1 9 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.001 -0.006 18612 5905 1 9 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.336 0.464 18612 5906 1 9 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.254 0.608 18612 5907 1 9 . 1 1 36 36 LYS H H 36 7.607 7.607 7.632 -0.025 18612 5908 1 9 . 1 1 37 37 LEU N N 37 120.957 120.957 121.261 -0.304 18612 5909 1 9 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.031 -0.028 18612 5910 1 9 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.223 0.287 18612 5911 1 9 . 1 1 37 37 LEU CB C 37 42.030 42.030 42.057 -0.027 18612 5912 1 9 . 1 1 37 37 LEU H H 37 7.762 7.762 8.143 -0.381 18612 5913 1 9 . 1 1 38 38 LEU N N 38 118.910 118.910 120.065 -1.155 18612 5914 1 9 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.893 0.083 18612 5915 1 9 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.282 -0.012 18612 5916 1 9 . 1 1 38 38 LEU CB C 38 40.958 40.958 40.952 0.006 18612 5917 1 9 . 1 1 38 38 LEU H H 38 8.636 8.636 7.791 0.845 18612 5918 1 9 . 1 1 39 39 LYS N N 39 120.804 120.804 118.531 2.273 18612 5919 1 9 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.028 0.052 18612 5920 1 9 . 1 1 39 39 LYS CA C 39 59.451 59.451 58.946 0.505 18612 5921 1 9 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.138 0.520 18612 5922 1 9 . 1 1 39 39 LYS H H 39 7.864 7.864 7.711 0.153 18612 5923 1 9 . 1 1 40 40 LEU N N 40 120.940 120.940 120.846 0.094 18612 5924 1 9 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.986 0.124 18612 5925 1 9 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.153 -0.213 18612 5926 1 9 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.814 1.272 18612 5927 1 9 . 1 1 40 40 LEU H H 40 7.831 7.831 7.958 -0.127 18612 5928 1 9 . 1 1 41 41 LYS N N 41 117.563 117.563 119.115 -1.552 18612 5929 1 9 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.980 -0.130 18612 5930 1 9 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.407 0.673 18612 5931 1 9 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.908 0.595 18612 5932 1 9 . 1 1 41 41 LYS H H 41 8.493 8.493 8.642 -0.149 18612 5933 1 9 . 1 1 42 42 ALA N N 42 121.396 121.396 120.727 0.669 18612 5934 1 9 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.158 0.031 18612 5935 1 9 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.053 0.227 18612 5936 1 9 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.537 -0.637 18612 5937 1 9 . 1 1 42 42 ALA H H 42 7.918 7.918 7.680 0.238 18612 5938 1 9 . 1 1 43 43 GLN N N 43 116.883 116.883 118.413 -1.530 18612 5939 1 9 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.142 -0.006 18612 5940 1 9 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.437 -1.027 18612 5941 1 9 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.012 0.568 18612 5942 1 9 . 1 1 43 43 GLN H H 43 7.591 7.591 7.598 -0.007 18612 5943 1 9 . 1 1 44 44 LEU N N 44 119.828 119.828 114.407 5.421 18612 5944 1 9 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.283 -0.075 18612 5945 1 9 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.727 -0.650 18612 5946 1 9 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.587 0.840 18612 5947 1 9 . 1 1 44 44 LEU H H 44 7.574 7.574 7.551 0.023 18612 5948 1 9 . 1 1 45 45 GLY N N 45 106.906 106.906 107.486 -0.580 18612 5949 1 9 . 1 1 45 45 GLY CA C 45 44.524 44.524 42.935 1.589 18612 5950 1 9 . 1 1 45 45 GLY H H 45 7.687 7.687 7.415 0.272 18612 5951 1 9 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.441 0.006 18612 5952 1 9 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.022 0.088 18612 5953 1 9 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.015 0.415 18612 5954 1 9 . 1 1 47 47 ASP N N 47 121.060 121.060 118.506 2.554 18612 5955 1 9 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.397 0.181 18612 5956 1 9 . 1 1 47 47 ASP CA C 47 54.482 54.482 55.066 -0.584 18612 5957 1 9 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.956 -0.953 18612 5958 1 9 . 1 1 47 47 ASP H H 47 8.446 8.446 8.325 0.121 18612 5959 1 9 . 1 1 48 48 GLU N N 48 123.347 123.347 122.200 1.147 18612 5960 1 9 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.325 -0.081 18612 5961 1 9 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.257 -0.327 18612 5962 1 9 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.154 0.393 18612 5963 1 9 . 1 1 48 48 GLU H H 48 8.577 8.577 8.554 0.023 18612 5964 1 9 . 1 1 49 49 SER N N 49 116.751 116.751 114.884 1.867 18612 5965 1 9 . 1 1 49 49 SER HA H 49 4.349 4.349 4.301 0.048 18612 5966 1 9 . 1 1 49 49 SER CA C 49 59.380 59.380 59.112 0.268 18612 5967 1 9 . 1 1 49 49 SER CB C 49 63.460 63.460 63.351 0.109 18612 5968 1 9 . 1 1 49 49 SER H H 49 8.399 8.399 8.397 0.002 18612 5969 1 9 . 1 1 50 50 LYS N N 50 121.935 121.935 120.713 1.222 18612 5970 1 9 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.217 0.224 18612 5971 1 9 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.394 0.126 18612 5972 1 9 . 1 1 50 50 LYS CB C 50 30.455 30.455 33.225 -2.770 18612 5973 1 9 . 1 1 50 50 LYS H H 50 8.058 8.058 8.053 0.005 18612 5974 1 9 . 1 1 51 51 GLN N N 51 122.155 122.155 119.307 2.848 18612 5975 1 9 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.236 -0.033 18612 5976 1 9 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.058 1.151 18612 5977 1 9 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.060 1.728 18612 5978 1 9 . 1 1 51 51 GLN H H 51 8.273 8.273 8.189 0.084 18612 5979 1 9 . 1 1 52 52 LYS N N 52 122.761 122.761 120.123 2.638 18612 5980 1 9 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.339 -0.024 18612 5981 1 9 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.599 0.881 18612 5982 1 9 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.704 -0.782 18612 5983 1 9 . 1 1 52 52 LYS H H 52 8.251 8.251 8.101 0.150 18612 5984 1 9 . 1 1 53 53 PHE N N 53 121.326 121.326 118.935 2.391 18612 5985 1 9 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.841 -0.197 18612 5986 1 9 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.593 0.047 18612 5987 1 9 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.980 0.608 18612 5988 1 9 . 1 1 53 53 PHE H H 53 8.153 8.153 8.421 -0.268 18612 5989 1 9 . 1 1 54 54 VAL N N 54 122.941 122.941 122.694 0.247 18612 5990 1 9 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.277 -0.234 18612 5991 1 9 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.830 0.150 18612 5992 1 9 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.867 1.314 18612 5993 1 9 . 1 1 54 54 VAL H H 54 7.960 7.960 7.955 0.005 18612 5994 1 9 . 1 1 55 55 LEU N N 55 126.751 126.751 123.525 3.226 18612 5995 1 9 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.073 0.240 18612 5996 1 9 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.292 -0.232 18612 5997 1 9 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.263 0.052 18612 5998 1 9 . 1 1 55 55 LEU H H 55 8.226 8.226 8.262 -0.036 18612 5999 1 9 . 1 1 56 56 LYS N N 56 123.614 123.614 125.197 -1.583 18612 6000 1 9 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.535 -0.163 18612 6001 1 9 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.942 -0.030 18612 6002 1 9 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.207 -0.016 18612 6003 1 9 . 1 1 56 56 LYS H H 56 8.320 8.320 8.417 -0.097 18612 6004 1 9 . 1 1 57 57 THR N N 57 115.794 115.794 121.319 -5.525 18612 6005 1 9 . 1 1 57 57 THR HA H 57 4.349 4.349 4.689 -0.340 18612 6006 1 9 . 1 1 57 57 THR CA C 57 58.960 58.960 59.343 -0.383 18612 6007 1 9 . 1 1 57 57 THR CB C 57 70.740 70.740 69.599 1.141 18612 6008 1 9 . 1 1 57 57 THR H H 57 7.892 7.892 8.285 -0.393 18612 6009 1 9 . 1 1 59 59 LYS N N 59 121.755 121.755 121.735 0.020 18612 6010 1 9 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.474 -0.247 18612 6011 1 9 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.106 1.414 18612 6012 1 9 . 1 1 59 59 LYS CB C 59 33.094 33.094 34.351 -1.257 18612 6013 1 9 . 1 1 59 59 LYS H H 59 8.300 8.300 7.900 0.400 18612 6014 1 9 . 1 1 60 60 ALA N N 60 125.263 125.263 122.011 3.252 18612 6015 1 9 . 1 1 60 60 ALA HA H 60 4.278 4.278 3.990 0.288 18612 6016 1 9 . 1 1 60 60 ALA CA C 60 52.864 52.864 54.397 -1.533 18612 6017 1 9 . 1 1 60 60 ALA CB C 60 18.980 18.980 17.204 1.776 18612 6018 1 9 . 1 1 60 60 ALA H H 60 8.290 8.290 8.416 -0.126 18612 6019 1 9 . 1 1 61 61 LEU N N 61 121.255 121.255 122.223 -0.968 18612 6020 1 9 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.255 0.025 18612 6021 1 9 . 1 1 61 61 LEU CA C 61 55.585 55.585 56.484 -0.899 18612 6022 1 9 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.854 -0.609 18612 6023 1 9 . 1 1 61 61 LEU H H 61 8.144 8.144 8.173 -0.029 18612 6024 1 9 . 1 1 62 62 GLU N N 62 121.401 121.401 119.419 1.982 18612 6025 1 9 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.414 -0.138 18612 6026 1 9 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.960 0.970 18612 6027 1 9 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.513 0.722 18612 6028 1 9 . 1 1 62 62 GLU H H 62 8.266 8.266 8.025 0.241 18612 6029 1 9 . 1 1 64 64 LYS N N 64 120.575 120.575 122.672 -2.097 18612 6030 1 9 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.280 -0.036 18612 6031 1 9 . 1 1 64 64 LYS CA C 64 56.085 56.085 57.394 -1.309 18612 6032 1 9 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.845 -3.375 18612 6033 1 9 . 1 1 64 64 LYS H H 64 8.106 8.106 8.439 -0.333 18612 6034 1 9 . 1 1 65 65 ILE N N 65 122.492 122.492 117.835 4.657 18612 6035 1 9 . 1 1 65 65 ILE HA H 65 4.140 4.140 3.685 0.455 18612 6036 1 9 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.785 -0.605 18612 6037 1 9 . 1 1 65 65 ILE CB C 65 38.550 38.550 37.984 0.566 18612 6038 1 9 . 1 1 65 65 ILE H H 65 8.135 8.135 7.951 0.184 18612 6039 1 9 . 1 1 66 66 ARG N N 66 125.714 125.714 120.811 4.903 18612 6040 1 9 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.035 0.433 18612 6041 1 9 . 1 1 66 66 ARG CA C 66 56.067 56.067 56.561 -0.494 18612 6042 1 9 . 1 1 66 66 ARG CB C 66 31.026 31.026 29.151 1.875 18612 6043 1 9 . 1 1 66 66 ARG H H 66 8.402 8.402 8.869 -0.467 18612 6044 1 9 . 1 1 67 67 THR N N 67 115.622 115.622 118.208 -2.586 18612 6045 1 9 . 1 1 67 67 THR HA H 67 4.445 4.445 3.986 0.459 18612 6046 1 9 . 1 1 67 67 THR CA C 67 61.650 61.650 63.275 -1.625 18612 6047 1 9 . 1 1 67 67 THR CB C 67 69.620 69.620 68.771 0.849 18612 6048 1 9 . 1 1 67 67 THR H H 67 8.281 8.281 8.638 -0.357 18612 6049 1 9 . 1 1 68 68 THR N N 68 116.774 116.774 118.356 -1.582 18612 6050 1 9 . 1 1 68 68 THR HA H 68 4.503 4.503 4.320 0.183 18612 6051 1 9 . 1 1 68 68 THR CA C 68 61.050 61.050 63.193 -2.143 18612 6052 1 9 . 1 1 68 68 THR CB C 68 69.210 69.210 69.162 0.049 18612 6053 1 9 . 1 1 68 68 THR H H 68 8.076 8.076 7.759 0.317 18612 6054 1 9 . 1 1 69 69 GLU N N 69 124.048 124.048 122.907 1.141 18612 6055 1 9 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.440 -0.064 18612 6056 1 9 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.887 -0.487 18612 6057 1 9 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.451 0.167 18612 6058 1 9 . 1 1 69 69 GLU H H 69 8.515 8.515 8.425 0.090 18612 6059 1 9 . 1 1 70 70 THR N N 70 118.988 118.988 111.631 7.357 18612 6060 1 9 . 1 1 70 70 THR HA H 70 3.741 3.741 4.616 -0.875 18612 6061 1 9 . 1 1 70 70 THR CA C 70 64.680 64.680 61.622 3.058 18612 6062 1 9 . 1 1 70 70 THR CB C 70 68.770 68.770 70.411 -1.641 18612 6063 1 9 . 1 1 70 70 THR H H 70 8.259 8.259 7.342 0.917 18612 6064 1 9 . 1 1 71 71 GLN N N 71 125.858 125.858 127.439 -1.581 18612 6065 1 9 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.619 -0.325 18612 6066 1 9 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.476 0.924 18612 6067 1 9 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.470 1.601 18612 6068 1 9 . 1 1 71 71 GLN H H 71 8.795 8.795 9.026 -0.231 18612 6069 1 9 . 1 1 72 72 VAL N N 72 113.505 113.505 111.822 1.683 18612 6070 1 9 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.845 0.053 18612 6071 1 9 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.605 0.015 18612 6072 1 9 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.265 0.139 18612 6073 1 9 . 1 1 72 72 VAL H H 72 7.325 7.325 7.880 -0.555 18612 6074 1 9 . 1 1 73 73 LEU N N 73 128.725 128.725 121.042 7.683 18612 6075 1 9 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.835 0.257 18612 6076 1 9 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.848 -1.108 18612 6077 1 9 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.869 -0.788 18612 6078 1 9 . 1 1 73 73 LEU H H 73 8.170 8.170 8.346 -0.176 18612 6079 1 9 . 1 1 74 74 VAL N N 74 127.634 127.634 124.855 2.779 18612 6080 1 9 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.793 -0.027 18612 6081 1 9 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.952 1.138 18612 6082 1 9 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.222 -1.532 18612 6083 1 9 . 1 1 74 74 VAL H H 74 8.913 8.913 7.886 1.027 18612 6084 1 9 . 1 1 75 75 ALA N N 75 132.602 132.602 131.856 0.746 18612 6085 1 9 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.798 0.009 18612 6086 1 9 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.384 0.516 18612 6087 1 9 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.927 1.994 18612 6088 1 9 . 1 1 75 75 ALA H H 75 9.421 9.421 9.087 0.334 18612 6089 1 9 . 1 1 76 76 SER N N 76 111.274 111.274 118.420 -7.146 18612 6090 1 9 . 1 1 76 76 SER HA H 76 4.951 4.951 4.880 0.071 18612 6091 1 9 . 1 1 76 76 SER CA C 76 56.940 56.940 56.527 0.413 18612 6092 1 9 . 1 1 76 76 SER CB C 76 65.960 65.960 65.436 0.524 18612 6093 1 9 . 1 1 76 76 SER H H 76 8.106 8.106 8.518 -0.412 18612 6094 1 9 . 1 1 77 77 ALA N N 77 125.393 125.393 122.627 2.766 18612 6095 1 9 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.451 0.010 18612 6096 1 9 . 1 1 77 77 ALA CA C 77 52.754 52.754 52.438 0.316 18612 6097 1 9 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.190 0.550 18612 6098 1 9 . 1 1 77 77 ALA H H 77 9.004 9.004 8.203 0.801 18612 6099 1 9 . 1 1 78 78 GLN N N 78 116.290 116.290 116.643 -0.353 18612 6100 1 9 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.490 -0.047 18612 6101 1 9 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.470 1.160 18612 6102 1 9 . 1 1 78 78 GLN CB C 78 30.553 30.553 32.560 -2.007 18612 6103 1 9 . 1 1 78 78 GLN H H 78 7.985 7.985 7.650 0.335 18612 6104 1 9 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.499 0.064 18612 6105 1 9 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.419 -7.420 18612 6106 1 9 . 1 1 81 81 LEU CB C 81 41.021 41.021 43.034 -2.013 18612 6107 1 9 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.338 0.460 18612 6108 1 9 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.034 -0.128 18612 6109 1 9 . 1 1 85 85 ARG N N 85 119.948 119.948 119.536 0.412 18612 6110 1 9 . 1 1 85 85 ARG HA H 85 3.871 3.871 3.938 -0.067 18612 6111 1 9 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.799 0.881 18612 6112 1 9 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.956 1.965 18612 6113 1 9 . 1 1 85 85 ARG H H 85 8.229 8.229 7.501 0.728 18612 6114 1 9 . 1 1 86 86 LEU N N 86 120.227 120.227 119.855 0.372 18612 6115 1 9 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.906 -0.080 18612 6116 1 9 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.106 0.084 18612 6117 1 9 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.642 -0.054 18612 6118 1 9 . 1 1 86 86 LEU H H 86 8.459 8.459 7.942 0.517 18612 6119 1 9 . 1 1 87 87 LYS N N 87 120.470 120.470 120.594 -0.124 18612 6120 1 9 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.010 0.011 18612 6121 1 9 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.475 -0.095 18612 6122 1 9 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.417 0.481 18612 6123 1 9 . 1 1 87 87 LYS H H 87 7.945 7.945 8.171 -0.226 18612 6124 1 9 . 1 1 88 88 LEU N N 88 119.799 119.799 121.579 -1.780 18612 6125 1 9 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.101 0.106 18612 6126 1 9 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.734 -0.054 18612 6127 1 9 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.183 0.042 18612 6128 1 9 . 1 1 88 88 LEU H H 88 7.547 7.547 8.005 -0.458 18612 6129 1 9 . 1 1 89 89 VAL N N 89 118.828 118.828 118.870 -0.042 18612 6130 1 9 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.623 -0.305 18612 6131 1 9 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.348 1.402 18612 6132 1 9 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.533 0.845 18612 6133 1 9 . 1 1 89 89 VAL H H 89 8.347 8.347 8.470 -0.123 18612 6134 1 9 . 1 1 90 90 SER N N 90 114.835 114.835 116.688 -1.853 18612 6135 1 9 . 1 1 90 90 SER HA H 90 4.207 4.207 4.116 0.091 18612 6136 1 9 . 1 1 90 90 SER CA C 90 62.000 62.000 62.319 -0.319 18612 6137 1 9 . 1 1 90 90 SER CB C 90 62.770 62.770 62.734 0.036 18612 6138 1 9 . 1 1 90 90 SER H H 90 7.942 7.942 8.493 -0.551 18612 6139 1 9 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.011 0.032 18612 6140 1 9 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.292 0.147 18612 6141 1 9 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.568 0.666 18612 6142 1 9 . 1 1 92 92 LEU N N 92 119.720 119.720 119.241 0.479 18612 6143 1 9 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.107 -0.159 18612 6144 1 9 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.548 0.572 18612 6145 1 9 . 1 1 92 92 LEU CB C 92 40.576 40.576 42.122 -1.546 18612 6146 1 9 . 1 1 92 92 LEU H H 92 8.379 8.379 7.870 0.509 18612 6147 1 9 . 1 1 93 93 GLN N N 93 120.938 120.938 120.970 -0.032 18612 6148 1 9 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.649 -0.096 18612 6149 1 9 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.919 0.131 18612 6150 1 9 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.860 -0.880 18612 6151 1 9 . 1 1 93 93 GLN H H 93 8.751 8.751 8.420 0.331 18612 6152 1 9 . 1 1 94 94 ASP N N 94 122.442 122.442 119.343 3.099 18612 6153 1 9 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.515 -0.056 18612 6154 1 9 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.457 0.643 18612 6155 1 9 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.083 -0.822 18612 6156 1 9 . 1 1 94 94 ASP H H 94 8.470 8.470 8.541 -0.071 18612 6157 1 9 . 1 1 95 95 ALA N N 95 120.437 120.437 121.178 -0.741 18612 6158 1 9 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.400 0.112 18612 6159 1 9 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.556 -1.811 18612 6160 1 9 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.690 0.330 18612 6161 1 9 . 1 1 95 95 ALA H H 95 7.340 7.340 7.807 -0.467 18612 6162 1 9 . 1 1 96 96 GLY N N 96 106.865 106.865 104.197 2.668 18612 6163 1 9 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.952 0.338 18612 6164 1 9 . 1 1 96 96 GLY H H 96 7.987 7.987 7.593 0.394 18612 6165 1 9 . 1 1 97 97 ILE N N 97 122.489 122.489 114.129 8.360 18612 6166 1 9 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.532 -0.278 18612 6167 1 9 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.507 0.143 18612 6168 1 9 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.083 -3.110 18612 6169 1 9 . 1 1 97 97 ILE H H 97 8.062 8.062 8.212 -0.150 18612 6170 1 9 . 1 1 98 98 LYS N N 98 127.459 127.459 123.307 4.152 18612 6171 1 9 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.183 0.324 18612 6172 1 9 . 1 1 98 98 LYS CA C 98 55.921 55.921 57.179 -1.258 18612 6173 1 9 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.394 0.040 18612 6174 1 9 . 1 1 98 98 LYS H H 98 8.574 8.574 8.599 -0.025 18612 6175 1 9 . 1 1 99 99 ALA N N 99 130.423 130.423 128.506 1.917 18612 6176 1 9 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.159 0.605 18612 6177 1 9 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.806 -1.595 18612 6178 1 9 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.164 3.706 18612 6179 1 9 . 1 1 99 99 ALA H H 99 7.813 7.813 8.167 -0.354 18612 6180 1 9 . 1 1 100 100 GLU N N 100 118.988 118.988 122.700 -3.712 18612 6181 1 9 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.715 0.120 18612 6182 1 9 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.790 -0.084 18612 6183 1 9 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.925 1.996 18612 6184 1 9 . 1 1 100 100 GLU H H 100 8.226 8.226 8.119 0.107 18612 6185 1 9 . 1 1 101 101 LEU N N 101 120.024 120.024 121.170 -1.146 18612 6186 1 9 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.582 0.132 18612 6187 1 9 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.445 0.315 18612 6188 1 9 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.730 -0.646 18612 6189 1 9 . 1 1 101 101 LEU H H 101 8.478 8.478 8.595 -0.117 18612 6190 1 9 . 1 1 102 102 LEU N N 102 118.623 118.623 124.319 -5.696 18612 6191 1 9 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.917 -0.883 18612 6192 1 9 . 1 1 102 102 LEU CA C 102 58.460 58.460 55.308 3.152 18612 6193 1 9 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.197 -3.972 18612 6194 1 9 . 1 1 102 102 LEU H H 102 8.763 8.763 9.066 -0.303 18612 6195 1 9 . 1 1 103 103 TYR N N 103 115.970 115.970 120.420 -4.450 18612 6196 1 9 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.912 -0.330 18612 6197 1 9 . 1 1 103 103 TYR CA C 103 55.973 55.973 54.881 1.092 18612 6198 1 9 . 1 1 103 103 TYR CB C 103 38.732 38.732 38.108 0.624 18612 6199 1 9 . 1 1 103 103 TYR H H 103 7.378 7.378 8.453 -1.075 18612 6200 1 9 . 1 1 104 104 LYS N N 104 120.577 120.577 122.711 -2.134 18612 6201 1 9 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.141 -0.002 18612 6202 1 9 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.286 0.194 18612 6203 1 9 . 1 1 104 104 LYS CB C 104 32.922 32.922 30.915 2.007 18612 6204 1 9 . 1 1 104 104 LYS H H 104 7.906 7.906 8.423 -0.517 18612 6205 1 9 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.019 0.010 18612 6206 1 9 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.111 -0.112 18612 6207 1 9 . 1 1 113 113 LEU N N 113 120.147 120.147 120.432 -0.285 18612 6208 1 9 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.335 -0.352 18612 6209 1 9 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.562 0.858 18612 6210 1 9 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.220 -0.627 18612 6211 1 9 . 1 1 113 113 LEU H H 113 8.365 8.365 7.749 0.616 18612 6212 1 9 . 1 1 114 114 GLN N N 114 119.995 119.995 118.514 1.481 18612 6213 1 9 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.965 0.072 18612 6214 1 9 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.454 -0.484 18612 6215 1 9 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.611 -0.421 18612 6216 1 9 . 1 1 114 114 GLN H H 114 8.126 8.126 8.291 -0.165 18612 6217 1 9 . 1 1 115 115 TYR N N 115 120.358 120.358 120.039 0.319 18612 6218 1 9 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.316 -0.021 18612 6219 1 9 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.606 -0.576 18612 6220 1 9 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.851 -1.082 18612 6221 1 9 . 1 1 115 115 TYR H H 115 7.819 7.819 7.954 -0.135 18612 6222 1 9 . 1 1 116 116 CYS N N 116 116.264 116.264 117.327 -1.063 18612 6223 1 9 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.118 -0.302 18612 6224 1 9 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.318 2.913 18612 6225 1 9 . 1 1 116 116 CYS CB C 116 27.320 27.320 28.446 -1.126 18612 6226 1 9 . 1 1 116 116 CYS H H 116 7.710 7.710 8.003 -0.293 18612 6227 1 9 . 1 1 117 117 GLU N N 117 119.526 119.526 120.586 -1.060 18612 6228 1 9 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.023 -0.175 18612 6229 1 9 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.322 -0.172 18612 6230 1 9 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.478 0.222 18612 6231 1 9 . 1 1 117 117 GLU H H 117 7.912 7.912 8.559 -0.647 18612 6232 1 9 . 1 1 118 118 GLU N N 118 119.875 119.875 119.683 0.192 18612 6233 1 9 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.207 -0.238 18612 6234 1 9 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.446 0.334 18612 6235 1 9 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.853 -0.043 18612 6236 1 9 . 1 1 118 118 GLU H H 118 7.988 7.988 7.847 0.141 18612 6237 1 9 . 1 1 119 119 ALA N N 119 119.118 119.118 123.111 -3.993 18612 6238 1 9 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.349 -0.183 18612 6239 1 9 . 1 1 119 119 ALA CA C 119 52.654 52.654 51.146 1.508 18612 6240 1 9 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.252 0.828 18612 6241 1 9 . 1 1 119 119 ALA H H 119 8.137 8.137 7.541 0.596 18612 6242 1 9 . 1 1 120 120 GLY N N 120 106.604 106.604 107.515 -0.911 18612 6243 1 9 . 1 1 120 120 GLY CA C 120 46.377 46.377 46.304 0.073 18612 6244 1 9 . 1 1 120 120 GLY H H 120 7.550 7.550 7.379 0.171 18612 6245 1 9 . 1 1 121 121 ILE N N 121 124.026 124.026 123.112 0.914 18612 6246 1 9 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.238 -0.227 18612 6247 1 9 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.656 1.394 18612 6248 1 9 . 1 1 121 121 ILE CB C 121 40.051 40.051 38.679 1.372 18612 6249 1 9 . 1 1 121 121 ILE H H 121 7.918 7.918 7.712 0.206 18612 6250 1 9 . 1 1 123 123 LEU N N 123 119.541 119.541 124.780 -5.239 18612 6251 1 9 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.154 1.349 18612 6252 1 9 . 1 1 123 123 LEU CA C 123 53.686 53.686 55.842 -2.156 18612 6253 1 9 . 1 1 123 123 LEU CB C 123 47.057 47.057 41.304 5.753 18612 6254 1 9 . 1 1 123 123 LEU H H 123 6.973 6.973 8.190 -1.217 18612 6255 1 9 . 1 1 124 124 VAL N N 124 119.580 119.580 126.640 -7.060 18612 6256 1 9 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.438 0.598 18612 6257 1 9 . 1 1 124 124 VAL CA C 124 59.580 59.580 61.580 -2.000 18612 6258 1 9 . 1 1 124 124 VAL CB C 124 35.257 35.257 32.976 2.281 18612 6259 1 9 . 1 1 124 124 VAL H H 124 8.823 8.823 8.180 0.643 18612 6260 1 9 . 1 1 125 125 ALA N N 125 130.810 130.810 127.116 3.694 18612 6261 1 9 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.298 -0.142 18612 6262 1 9 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.481 -1.286 18612 6263 1 9 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.535 -1.475 18612 6264 1 9 . 1 1 125 125 ALA H H 125 9.083 9.083 9.050 0.033 18612 6265 1 9 . 1 1 126 126 ILE N N 126 124.925 124.925 125.584 -0.659 18612 6266 1 9 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.399 -0.896 18612 6267 1 9 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.465 1.495 18612 6268 1 9 . 1 1 126 126 ILE CB C 126 39.805 39.805 41.256 -1.451 18612 6269 1 9 . 1 1 126 126 ILE H H 126 9.564 9.564 8.638 0.926 18612 6270 1 9 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.439 0.204 18612 6271 1 9 . 1 1 127 127 ILE CA C 127 59.440 59.440 59.963 -0.523 18612 6272 1 9 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.810 1.192 18612 6273 1 9 . 1 1 129 129 GLU N N 129 121.547 121.547 117.197 4.350 18612 6274 1 9 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.207 -0.259 18612 6275 1 9 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.326 3.074 18612 6276 1 9 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.398 0.904 18612 6277 1 9 . 1 1 129 129 GLU H H 129 9.035 9.035 8.261 0.774 18612 6278 1 9 . 1 1 130 130 GLN N N 130 120.221 120.221 118.869 1.352 18612 6279 1 9 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.051 -0.174 18612 6280 1 9 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.774 -0.354 18612 6281 1 9 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.329 0.070 18612 6282 1 9 . 1 1 130 130 GLN H H 130 8.914 8.914 8.448 0.466 18612 6283 1 9 . 1 1 131 131 GLU N N 131 120.680 120.680 120.106 0.574 18612 6284 1 9 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.263 -0.324 18612 6285 1 9 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.479 2.731 18612 6286 1 9 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.936 -0.766 18612 6287 1 9 . 1 1 131 131 GLU H H 131 8.871 8.871 8.727 0.144 18612 6288 1 9 . 1 1 132 132 LEU N N 132 118.303 118.303 118.621 -0.318 18612 6289 1 9 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.140 0.222 18612 6290 1 9 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.135 -2.019 18612 6291 1 9 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.682 0.141 18612 6292 1 9 . 1 1 132 132 LEU H H 132 8.152 8.152 8.167 -0.015 18612 6293 1 9 . 1 1 133 133 LYS N N 133 120.924 120.924 116.830 4.094 18612 6294 1 9 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.045 0.036 18612 6295 1 9 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.361 0.219 18612 6296 1 9 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.366 0.106 18612 6297 1 9 . 1 1 133 133 LYS H H 133 7.631 7.631 7.322 0.309 18612 6298 1 9 . 1 1 134 134 ASP N N 134 118.256 118.256 116.168 2.088 18612 6299 1 9 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.598 0.071 18612 6300 1 9 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.870 -0.719 18612 6301 1 9 . 1 1 134 134 ASP CB C 134 41.381 41.381 42.117 -0.736 18612 6302 1 9 . 1 1 134 134 ASP H H 134 7.985 7.985 7.757 0.228 18612 6303 1 9 . 1 1 135 135 GLY N N 135 109.383 109.383 107.311 2.072 18612 6304 1 9 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.199 1.364 18612 6305 1 9 . 1 1 135 135 GLY H H 135 8.019 8.019 8.035 -0.016 18612 6306 1 9 . 1 1 136 136 VAL N N 136 117.112 117.112 121.106 -3.994 18612 6307 1 9 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.250 0.653 18612 6308 1 9 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.756 -1.806 18612 6309 1 9 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.547 2.338 18612 6310 1 9 . 1 1 136 136 VAL H H 136 8.229 8.229 8.109 0.120 18612 6311 1 9 . 1 1 137 137 ILE N N 137 121.971 121.971 121.892 0.079 18612 6312 1 9 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.393 -0.219 18612 6313 1 9 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.123 -0.563 18612 6314 1 9 . 1 1 137 137 ILE CB C 137 40.789 40.789 42.509 -1.720 18612 6315 1 9 . 1 1 137 137 ILE H H 137 8.975 8.975 8.920 0.055 18612 6316 1 9 . 1 1 138 138 LYS N N 138 126.613 126.613 122.697 3.916 18612 6317 1 9 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.257 -0.333 18612 6318 1 9 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.748 0.967 18612 6319 1 9 . 1 1 138 138 LYS CB C 138 33.217 33.217 36.312 -3.095 18612 6320 1 9 . 1 1 138 138 LYS H H 138 7.726 7.726 8.356 -0.630 18612 6321 1 9 . 1 1 139 139 LEU N N 139 129.177 129.177 124.295 4.882 18612 6322 1 9 . 1 1 139 139 LEU HA H 139 5.203 5.203 5.281 -0.078 18612 6323 1 9 . 1 1 139 139 LEU CA C 139 53.290 53.290 52.797 0.493 18612 6324 1 9 . 1 1 139 139 LEU CB C 139 44.760 44.760 46.897 -2.136 18612 6325 1 9 . 1 1 139 139 LEU H H 139 9.404 9.404 8.631 0.773 18612 6326 1 9 . 1 1 140 140 ARG N N 140 128.243 128.243 120.923 7.320 18612 6327 1 9 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.830 0.432 18612 6328 1 9 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.251 -1.566 18612 6329 1 9 . 1 1 140 140 ARG CB C 140 27.990 27.990 32.639 -4.649 18612 6330 1 9 . 1 1 140 140 ARG H H 140 9.540 9.540 8.968 0.572 18612 6331 1 9 . 1 1 142 142 VAL N N 142 129.670 129.670 123.622 6.048 18612 6332 1 9 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.744 -0.197 18612 6333 1 9 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.490 0.459 18612 6334 1 9 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.230 1.458 18612 6335 1 9 . 1 1 142 142 VAL H H 142 8.336 8.336 7.966 0.370 18612 6336 1 9 . 1 1 143 143 THR N N 143 111.061 111.061 109.962 1.099 18612 6337 1 9 . 1 1 143 143 THR HA H 143 4.157 4.157 4.171 -0.014 18612 6338 1 9 . 1 1 143 143 THR CA C 143 69.400 69.400 63.965 5.435 18612 6339 1 9 . 1 1 143 143 THR CB C 143 70.020 70.020 69.085 0.935 18612 6340 1 9 . 1 1 143 143 THR H H 143 8.248 8.248 8.025 0.223 18612 6341 1 9 . 1 1 144 144 SER N N 144 115.158 115.158 115.749 -0.591 18612 6342 1 9 . 1 1 144 144 SER HA H 144 4.514 4.514 4.408 0.106 18612 6343 1 9 . 1 1 144 144 SER CA C 144 58.370 58.370 59.645 -1.275 18612 6344 1 9 . 1 1 144 144 SER CB C 144 64.500 64.500 63.946 0.554 18612 6345 1 9 . 1 1 144 144 SER H H 144 7.812 7.812 8.234 -0.422 18612 6346 1 9 . 1 1 145 145 ARG N N 145 116.527 116.527 119.346 -2.819 18612 6347 1 9 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.634 -0.808 18612 6348 1 9 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.438 2.862 18612 6349 1 9 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.482 -4.282 18612 6350 1 9 . 1 1 145 145 ARG H H 145 7.836 7.836 7.659 0.177 18612 6351 1 9 . 1 1 146 146 GLU N N 146 119.889 119.889 116.390 3.499 18612 6352 1 9 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.397 -0.128 18612 6353 1 9 . 1 1 146 146 GLU CA C 146 56.930 56.930 55.940 0.990 18612 6354 1 9 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.835 -0.198 18612 6355 1 9 . 1 1 146 146 GLU H H 146 7.675 7.675 8.259 -0.584 18612 6356 1 9 . 1 1 147 147 GLU N N 147 124.286 124.286 121.197 3.089 18612 6357 1 9 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.552 0.767 18612 6358 1 9 . 1 1 147 147 GLU CA C 147 54.935 54.935 57.966 -3.031 18612 6359 1 9 . 1 1 147 147 GLU CB C 147 33.740 33.740 30.056 3.684 18612 6360 1 9 . 1 1 147 147 GLU H H 147 8.602 8.602 8.508 0.094 18612 6361 1 9 . 1 1 148 148 VAL N N 148 120.587 120.587 114.523 6.064 18612 6362 1 9 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.584 -0.050 18612 6363 1 9 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.635 0.025 18612 6364 1 9 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.505 0.184 18612 6365 1 9 . 1 1 148 148 VAL H H 148 8.536 8.536 8.440 0.096 18612 6366 1 9 . 1 1 149 149 ASP N N 149 125.031 125.031 124.517 0.514 18612 6367 1 9 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.326 -0.172 18612 6368 1 9 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.800 0.113 18612 6369 1 9 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.547 -0.767 18612 6370 1 9 . 1 1 149 149 ASP H H 149 8.411 8.411 8.413 -0.002 18612 6371 1 9 . 1 1 150 150 VAL N N 150 123.264 123.264 118.614 4.650 18612 6372 1 9 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.783 -0.383 18612 6373 1 9 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.165 0.475 18612 6374 1 9 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.786 -0.761 18612 6375 1 9 . 1 1 150 150 VAL H H 150 9.061 9.061 8.885 0.176 18612 6376 1 9 . 1 1 151 151 ARG N N 151 125.112 125.112 118.510 6.602 18612 6377 1 9 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.757 -0.349 18612 6378 1 9 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.081 3.029 18612 6379 1 9 . 1 1 151 151 ARG CB C 151 29.890 29.890 33.340 -3.450 18612 6380 1 9 . 1 1 151 151 ARG H H 151 9.048 9.048 8.400 0.648 18612 6381 1 9 . 1 1 152 152 ARG N N 152 124.828 124.828 126.018 -1.190 18612 6382 1 9 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.815 -0.149 18612 6383 1 9 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.632 -0.602 18612 6384 1 9 . 1 1 152 152 ARG CB C 152 30.010 30.010 29.944 0.066 18612 6385 1 9 . 1 1 152 152 ARG H H 152 8.582 8.582 9.122 -0.540 18612 6386 1 9 . 1 1 153 153 GLU N N 153 116.730 116.730 117.695 -0.965 18612 6387 1 9 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.027 0.173 18612 6388 1 9 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.880 -0.910 18612 6389 1 9 . 1 1 153 153 GLU CB C 153 28.580 28.580 28.736 -0.156 18612 6390 1 9 . 1 1 153 153 GLU H H 153 9.924 9.924 8.573 1.351 18612 6391 1 9 . 1 1 154 154 ASP N N 154 119.318 119.318 119.539 -0.221 18612 6392 1 9 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.486 0.532 18612 6393 1 9 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.420 -2.029 18612 6394 1 9 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.655 1.635 18612 6395 1 9 . 1 1 154 154 ASP H H 154 7.758 7.758 8.150 -0.392 18612 6396 1 9 . 1 1 155 155 LEU N N 155 121.863 121.863 122.120 -0.257 18612 6397 1 9 . 1 1 155 155 LEU HA H 155 3.815 3.815 3.998 -0.183 18612 6398 1 9 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.255 0.915 18612 6399 1 9 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.074 0.554 18612 6400 1 9 . 1 1 155 155 LEU H H 155 7.315 7.315 8.405 -1.090 18612 6401 1 9 . 1 1 156 156 VAL N N 156 118.555 118.555 118.701 -0.146 18612 6402 1 9 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.488 -0.233 18612 6403 1 9 . 1 1 156 156 VAL CA C 156 67.660 67.660 67.762 -0.102 18612 6404 1 9 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.576 -0.346 18612 6405 1 9 . 1 1 156 156 VAL H H 156 8.490 8.490 7.819 0.671 18612 6406 1 9 . 1 1 157 157 GLU N N 157 118.568 118.568 118.149 0.419 18612 6407 1 9 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.941 -0.031 18612 6408 1 9 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.608 -0.188 18612 6409 1 9 . 1 1 157 157 GLU H H 157 8.138 8.138 7.893 0.245 18612 6410 1 9 . 1 1 158 158 GLU N N 158 118.484 118.484 120.530 -2.046 18612 6411 1 9 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.100 0.040 18612 6412 1 9 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.368 -2.078 18612 6413 1 9 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.467 0.007 18612 6414 1 9 . 1 1 158 158 GLU H H 158 8.138 8.138 8.253 -0.115 18612 6415 1 9 . 1 1 159 159 ILE N N 159 119.508 119.508 120.217 -0.709 18612 6416 1 9 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.650 -0.222 18612 6417 1 9 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.614 0.276 18612 6418 1 9 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.834 -7.835 18612 6419 1 9 . 1 1 159 159 ILE H H 159 8.482 8.482 7.754 0.728 18612 6420 1 9 . 1 1 160 160 LYS N N 160 121.513 121.513 119.807 1.706 18612 6421 1 9 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.929 -0.151 18612 6422 1 9 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.950 0.900 18612 6423 1 9 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.333 -0.083 18612 6424 1 9 . 1 1 160 160 LYS H H 160 8.424 8.424 8.155 0.269 18612 6425 1 9 . 1 1 161 161 ARG N N 161 118.966 118.966 117.215 1.751 18612 6426 1 9 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.094 -0.025 18612 6427 1 9 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.502 0.828 18612 6428 1 9 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.188 0.704 18612 6429 1 9 . 1 1 161 161 ARG H H 161 8.248 8.248 7.782 0.466 18612 6430 1 9 . 1 1 162 162 ARG N N 162 117.033 117.033 118.375 -1.342 18612 6431 1 9 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.169 0.073 18612 6432 1 9 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.427 -0.369 18612 6433 1 9 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.627 1.163 18612 6434 1 9 . 1 1 162 162 ARG H H 162 7.811 7.811 7.693 0.118 18612 6435 1 9 . 1 1 163 163 THR N N 163 108.588 108.588 109.250 -0.662 18612 6436 1 9 . 1 1 163 163 THR HA H 163 4.549 4.549 4.597 -0.048 18612 6437 1 9 . 1 1 163 163 THR CA C 163 61.820 61.820 61.708 0.112 18612 6438 1 9 . 1 1 163 163 THR CB C 163 70.020 70.020 70.923 -0.903 18612 6439 1 9 . 1 1 163 163 THR H H 163 7.831 7.831 7.962 -0.131 18612 6440 1 9 . 1 1 164 164 GLY N N 164 110.640 110.640 110.717 -0.077 18612 6441 1 9 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.148 1.565 18612 6442 1 9 . 1 1 164 164 GLY H H 164 7.847 7.847 7.691 0.156 18612 6443 1 9 . 1 1 165 165 GLN N N 165 120.993 120.993 120.568 0.425 18612 6444 1 9 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.309 -0.367 18612 6445 1 9 . 1 1 165 165 GLN CA C 165 56.077 56.077 55.358 0.719 18612 6446 1 9 . 1 1 165 165 GLN CB C 165 29.569 29.569 28.613 0.956 18612 6447 1 9 . 1 1 165 165 GLN H H 165 8.141 8.141 8.505 -0.364 18612 6448 1 9 . 1 1 167 167 LEU N N 167 122.540 122.540 122.214 0.326 18612 6449 1 9 . 1 1 167 167 LEU H H 167 8.370 8.370 8.128 0.242 18612 6450 1 9 . 1 1 168 168 SER N N 168 116.635 116.635 117.848 -1.213 18612 6451 1 9 . 1 1 168 168 SER H H 168 8.269 8.269 8.366 -0.097 18612 6452 1 9 . 1 1 169 169 ILE N N 169 122.767 122.767 123.954 -1.187 18612 6453 1 9 . 1 1 169 169 ILE H H 169 8.165 8.165 8.527 -0.362 18612 6454 1 10 . 1 1 2 2 GLU N N 2 120.329 120.329 119.729 0.600 18612 6455 1 10 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.488 -0.346 18612 6456 1 10 . 1 1 2 2 GLU CA C 2 59.070 59.070 57.328 1.742 18612 6457 1 10 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.226 -0.726 18612 6458 1 10 . 1 1 2 2 GLU H H 2 8.498 8.498 8.604 -0.106 18612 6459 1 10 . 1 1 3 3 ARG N N 3 121.547 121.547 119.778 1.769 18612 6460 1 10 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.003 0.021 18612 6461 1 10 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.479 -0.239 18612 6462 1 10 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.684 0.266 18612 6463 1 10 . 1 1 3 3 ARG H H 3 8.238 8.238 8.525 -0.287 18612 6464 1 10 . 1 1 4 4 ALA N N 4 121.449 121.449 120.788 0.661 18612 6465 1 10 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.120 0.083 18612 6466 1 10 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.140 -0.101 18612 6467 1 10 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.048 -0.138 18612 6468 1 10 . 1 1 4 4 ALA H H 4 8.068 8.068 8.397 -0.329 18612 6469 1 10 . 1 1 5 5 ALA N N 5 121.000 121.000 121.799 -0.799 18612 6470 1 10 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.297 -0.079 18612 6471 1 10 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.632 0.111 18612 6472 1 10 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.492 -0.082 18612 6473 1 10 . 1 1 5 5 ALA H H 5 7.831 7.831 7.475 0.356 18612 6474 1 10 . 1 1 6 6 LEU N N 6 121.402 121.402 117.967 3.435 18612 6475 1 10 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.041 0.120 18612 6476 1 10 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.144 -0.194 18612 6477 1 10 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.476 0.565 18612 6478 1 10 . 1 1 6 6 LEU H H 6 7.919 7.919 7.831 0.088 18612 6479 1 10 . 1 1 7 7 GLU N N 7 119.203 119.203 120.128 -0.925 18612 6480 1 10 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.844 0.014 18612 6481 1 10 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.379 -0.149 18612 6482 1 10 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.643 -0.103 18612 6483 1 10 . 1 1 7 7 GLU H H 7 8.706 8.706 8.643 0.063 18612 6484 1 10 . 1 1 8 8 GLU N N 8 120.194 120.194 118.637 1.557 18612 6485 1 10 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.089 0.106 18612 6486 1 10 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.818 0.352 18612 6487 1 10 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.135 0.325 18612 6488 1 10 . 1 1 8 8 GLU H H 8 7.761 7.761 7.938 -0.177 18612 6489 1 10 . 1 1 9 9 LEU N N 9 120.526 120.526 120.941 -0.415 18612 6490 1 10 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.049 0.115 18612 6491 1 10 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.008 0.112 18612 6492 1 10 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.136 -0.348 18612 6493 1 10 . 1 1 9 9 LEU H H 9 7.913 7.913 7.649 0.264 18612 6494 1 10 . 1 1 10 10 VAL N N 10 120.804 120.804 120.243 0.561 18612 6495 1 10 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.429 0.028 18612 6496 1 10 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.865 0.165 18612 6497 1 10 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.321 0.726 18612 6498 1 10 . 1 1 10 10 VAL H H 10 8.570 8.570 8.266 0.304 18612 6499 1 10 . 1 1 11 11 LYS N N 11 123.175 123.175 120.532 2.643 18612 6500 1 10 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.945 0.099 18612 6501 1 10 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.081 -0.211 18612 6502 1 10 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.294 0.098 18612 6503 1 10 . 1 1 11 11 LYS H H 11 7.909 7.909 7.701 0.208 18612 6504 1 10 . 1 1 12 12 LEU N N 12 120.772 120.772 116.676 4.096 18612 6505 1 10 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.173 -0.067 18612 6506 1 10 . 1 1 12 12 LEU CA C 12 57.920 57.920 58.136 -0.216 18612 6507 1 10 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.167 0.670 18612 6508 1 10 . 1 1 12 12 LEU H H 12 8.436 8.436 7.779 0.657 18612 6509 1 10 . 1 1 13 13 GLN N N 13 121.677 121.677 119.337 2.340 18612 6510 1 10 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.074 0.260 18612 6511 1 10 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.138 -1.738 18612 6512 1 10 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.303 -1.783 18612 6513 1 10 . 1 1 13 13 GLN H H 13 8.710 8.710 7.883 0.827 18612 6514 1 10 . 1 1 14 14 GLY N N 14 109.543 109.543 107.643 1.900 18612 6515 1 10 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.815 0.748 18612 6516 1 10 . 1 1 14 14 GLY H H 14 8.714 8.714 8.872 -0.158 18612 6517 1 10 . 1 1 15 15 GLU N N 15 123.144 123.144 122.226 0.918 18612 6518 1 10 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.897 0.251 18612 6519 1 10 . 1 1 15 15 GLU CA C 15 58.970 58.970 60.184 -1.214 18612 6520 1 10 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.369 0.091 18612 6521 1 10 . 1 1 15 15 GLU H H 15 7.913 7.913 7.861 0.052 18612 6522 1 10 . 1 1 16 16 ARG N N 16 123.135 123.135 119.778 3.357 18612 6523 1 10 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.039 0.099 18612 6524 1 10 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.291 -0.321 18612 6525 1 10 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.323 -0.923 18612 6526 1 10 . 1 1 16 16 ARG H H 16 8.104 8.104 7.714 0.390 18612 6527 1 10 . 1 1 17 17 VAL N N 17 119.501 119.501 119.188 0.313 18612 6528 1 10 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.630 -0.217 18612 6529 1 10 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.865 0.585 18612 6530 1 10 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.422 0.636 18612 6531 1 10 . 1 1 17 17 VAL H H 17 8.192 8.192 7.907 0.285 18612 6532 1 10 . 1 1 18 18 ARG N N 18 119.372 119.372 119.982 -0.610 18612 6533 1 10 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.042 -0.108 18612 6534 1 10 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.120 0.940 18612 6535 1 10 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.500 0.772 18612 6536 1 10 . 1 1 18 18 ARG H H 18 7.980 7.980 8.759 -0.779 18612 6537 1 10 . 1 1 19 19 GLY N N 19 107.241 107.241 105.825 1.416 18612 6538 1 10 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.450 0.912 18612 6539 1 10 . 1 1 19 19 GLY H H 19 8.362 8.362 8.110 0.252 18612 6540 1 10 . 1 1 20 20 LEU N N 20 122.627 122.627 123.675 -1.048 18612 6541 1 10 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.151 -0.102 18612 6542 1 10 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.930 -0.040 18612 6543 1 10 . 1 1 20 20 LEU CB C 20 42.420 42.420 42.132 0.288 18612 6544 1 10 . 1 1 20 20 LEU H H 20 8.049 8.049 7.933 0.116 18612 6545 1 10 . 1 1 21 21 LYS N N 21 118.255 118.255 118.616 -0.361 18612 6546 1 10 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.986 0.072 18612 6547 1 10 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.091 0.919 18612 6548 1 10 . 1 1 21 21 LYS CB C 21 32.594 32.594 31.817 0.777 18612 6549 1 10 . 1 1 21 21 LYS H H 21 8.123 8.123 8.512 -0.389 18612 6550 1 10 . 1 1 22 22 GLN N N 22 121.183 121.183 119.130 2.053 18612 6551 1 10 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.193 -0.106 18612 6552 1 10 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.380 0.380 18612 6553 1 10 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.045 -0.445 18612 6554 1 10 . 1 1 22 22 GLN H H 22 8.234 8.234 7.879 0.355 18612 6555 1 10 . 1 1 23 23 GLN N N 23 116.219 116.219 117.058 -0.839 18612 6556 1 10 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.274 -0.011 18612 6557 1 10 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.432 -1.754 18612 6558 1 10 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.673 -0.403 18612 6559 1 10 . 1 1 23 23 GLN H H 23 7.820 7.820 7.724 0.096 18612 6560 1 10 . 1 1 24 24 LYS N N 24 117.349 117.349 117.598 -0.249 18612 6561 1 10 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.463 -0.551 18612 6562 1 10 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.184 1.846 18612 6563 1 10 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.576 -4.726 18612 6564 1 10 . 1 1 24 24 LYS H H 24 7.884 7.884 7.981 -0.097 18612 6565 1 10 . 1 1 25 25 ALA N N 25 119.909 119.909 121.284 -1.375 18612 6566 1 10 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.149 0.130 18612 6567 1 10 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.268 -1.248 18612 6568 1 10 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.629 2.691 18612 6569 1 10 . 1 1 25 25 ALA H H 25 7.620 7.620 7.925 -0.305 18612 6570 1 10 . 1 1 26 26 SER N N 26 113.188 113.188 114.401 -1.213 18612 6571 1 10 . 1 1 26 26 SER HA H 26 4.244 4.244 4.303 -0.059 18612 6572 1 10 . 1 1 26 26 SER CA C 26 58.390 58.390 59.451 -1.061 18612 6573 1 10 . 1 1 26 26 SER CB C 26 63.830 63.830 63.654 0.176 18612 6574 1 10 . 1 1 26 26 SER H H 26 8.228 8.228 8.269 -0.041 18612 6575 1 10 . 1 1 27 27 ALA N N 27 127.550 127.550 121.686 5.864 18612 6576 1 10 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.980 0.004 18612 6577 1 10 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.442 1.140 18612 6578 1 10 . 1 1 27 27 ALA CB C 27 18.770 18.770 16.980 1.790 18612 6579 1 10 . 1 1 27 27 ALA H H 27 8.769 8.769 8.506 0.263 18612 6580 1 10 . 1 1 28 28 GLU N N 28 117.317 117.317 119.688 -2.371 18612 6581 1 10 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.211 -0.137 18612 6582 1 10 . 1 1 28 28 GLU CA C 28 59.700 59.700 58.760 0.940 18612 6583 1 10 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.648 -0.569 18612 6584 1 10 . 1 1 28 28 GLU H H 28 8.830 8.830 8.097 0.733 18612 6585 1 10 . 1 1 29 29 LEU N N 29 122.971 122.971 119.516 3.455 18612 6586 1 10 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.157 0.154 18612 6587 1 10 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.809 -0.239 18612 6588 1 10 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.253 0.352 18612 6589 1 10 . 1 1 29 29 LEU H H 29 7.401 7.401 7.972 -0.571 18612 6590 1 10 . 1 1 30 30 ILE N N 30 118.784 118.784 119.124 -0.340 18612 6591 1 10 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.726 -0.329 18612 6592 1 10 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.231 1.079 18612 6593 1 10 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.831 -0.008 18612 6594 1 10 . 1 1 30 30 ILE H H 30 8.019 8.019 8.018 0.001 18612 6595 1 10 . 1 1 31 31 GLU N N 31 118.215 118.215 119.082 -0.867 18612 6596 1 10 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.031 -0.063 18612 6597 1 10 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.748 0.092 18612 6598 1 10 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.467 -0.027 18612 6599 1 10 . 1 1 31 31 GLU H H 31 8.367 8.367 8.081 0.286 18612 6600 1 10 . 1 1 32 32 GLU N N 32 120.284 120.284 119.769 0.515 18612 6601 1 10 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.055 0.099 18612 6602 1 10 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.662 -0.282 18612 6603 1 10 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.616 0.224 18612 6604 1 10 . 1 1 32 32 GLU H H 32 7.667 7.667 7.834 -0.167 18612 6605 1 10 . 1 1 33 33 GLU N N 33 120.010 120.010 119.574 0.436 18612 6606 1 10 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.032 0.186 18612 6607 1 10 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.121 -0.741 18612 6608 1 10 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.556 -1.376 18612 6609 1 10 . 1 1 33 33 GLU H H 33 8.156 8.156 8.134 0.022 18612 6610 1 10 . 1 1 34 34 VAL N N 34 125.322 125.322 120.224 5.098 18612 6611 1 10 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.600 0.042 18612 6612 1 10 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.330 0.520 18612 6613 1 10 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.664 0.176 18612 6614 1 10 . 1 1 34 34 VAL H H 34 9.243 9.243 7.738 1.505 18612 6615 1 10 . 1 1 35 35 ALA N N 35 123.214 123.214 121.560 1.654 18612 6616 1 10 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.914 0.184 18612 6617 1 10 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.465 0.277 18612 6618 1 10 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.185 -0.935 18612 6619 1 10 . 1 1 35 35 ALA H H 35 8.160 8.160 7.741 0.419 18612 6620 1 10 . 1 1 36 36 LYS N N 36 117.979 117.979 118.780 -0.801 18612 6621 1 10 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.000 -0.005 18612 6622 1 10 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.445 0.355 18612 6623 1 10 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.221 0.641 18612 6624 1 10 . 1 1 36 36 LYS H H 36 7.607 7.607 7.689 -0.082 18612 6625 1 10 . 1 1 37 37 LEU N N 37 120.957 120.957 120.791 0.166 18612 6626 1 10 . 1 1 37 37 LEU HA H 37 4.003 4.003 3.914 0.089 18612 6627 1 10 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.418 0.092 18612 6628 1 10 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.850 0.180 18612 6629 1 10 . 1 1 37 37 LEU H H 37 7.762 7.762 7.880 -0.118 18612 6630 1 10 . 1 1 38 38 LEU N N 38 118.910 118.910 119.333 -0.423 18612 6631 1 10 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.856 0.120 18612 6632 1 10 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.191 0.079 18612 6633 1 10 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.175 -0.217 18612 6634 1 10 . 1 1 38 38 LEU H H 38 8.636 8.636 7.799 0.837 18612 6635 1 10 . 1 1 39 39 LYS N N 39 120.804 120.804 119.055 1.749 18612 6636 1 10 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.012 0.068 18612 6637 1 10 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.252 0.199 18612 6638 1 10 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.174 0.484 18612 6639 1 10 . 1 1 39 39 LYS H H 39 7.864 7.864 7.660 0.204 18612 6640 1 10 . 1 1 40 40 LEU N N 40 120.940 120.940 121.093 -0.153 18612 6641 1 10 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.924 0.186 18612 6642 1 10 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.276 -0.336 18612 6643 1 10 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.694 1.392 18612 6644 1 10 . 1 1 40 40 LEU H H 40 7.831 7.831 8.362 -0.531 18612 6645 1 10 . 1 1 41 41 LYS N N 41 117.563 117.563 118.664 -1.101 18612 6646 1 10 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.889 -0.039 18612 6647 1 10 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.925 0.155 18612 6648 1 10 . 1 1 41 41 LYS CB C 41 32.503 32.503 32.084 0.419 18612 6649 1 10 . 1 1 41 41 LYS H H 41 8.493 8.493 8.300 0.193 18612 6650 1 10 . 1 1 42 42 ALA N N 42 121.396 121.396 121.076 0.320 18612 6651 1 10 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.360 -0.171 18612 6652 1 10 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.390 -0.110 18612 6653 1 10 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.503 -0.603 18612 6654 1 10 . 1 1 42 42 ALA H H 42 7.918 7.918 7.791 0.127 18612 6655 1 10 . 1 1 43 43 GLN N N 43 116.883 116.883 118.569 -1.686 18612 6656 1 10 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.120 0.016 18612 6657 1 10 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.658 -1.248 18612 6658 1 10 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.705 0.875 18612 6659 1 10 . 1 1 43 43 GLN H H 43 7.591 7.591 7.760 -0.169 18612 6660 1 10 . 1 1 44 44 LEU N N 44 119.828 119.828 115.026 4.802 18612 6661 1 10 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.271 -0.063 18612 6662 1 10 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.801 -0.724 18612 6663 1 10 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.063 0.364 18612 6664 1 10 . 1 1 44 44 LEU H H 44 7.574 7.574 7.588 -0.014 18612 6665 1 10 . 1 1 45 45 GLY N N 45 106.906 106.906 105.588 1.318 18612 6666 1 10 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.286 1.238 18612 6667 1 10 . 1 1 45 45 GLY H H 45 7.687 7.687 7.735 -0.048 18612 6668 1 10 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.598 -0.151 18612 6669 1 10 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.510 -0.400 18612 6670 1 10 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.549 -0.119 18612 6671 1 10 . 1 1 47 47 ASP N N 47 121.060 121.060 118.988 2.072 18612 6672 1 10 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.821 -0.243 18612 6673 1 10 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.066 0.416 18612 6674 1 10 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.632 -1.629 18612 6675 1 10 . 1 1 47 47 ASP H H 47 8.446 8.446 8.388 0.058 18612 6676 1 10 . 1 1 48 48 GLU N N 48 123.347 123.347 122.050 1.297 18612 6677 1 10 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.435 -0.191 18612 6678 1 10 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.960 -0.030 18612 6679 1 10 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.090 0.457 18612 6680 1 10 . 1 1 48 48 GLU H H 48 8.577 8.577 8.558 0.019 18612 6681 1 10 . 1 1 49 49 SER N N 49 116.751 116.751 116.032 0.719 18612 6682 1 10 . 1 1 49 49 SER HA H 49 4.349 4.349 4.289 0.060 18612 6683 1 10 . 1 1 49 49 SER CA C 49 59.380 59.380 59.342 0.038 18612 6684 1 10 . 1 1 49 49 SER CB C 49 63.460 63.460 63.416 0.044 18612 6685 1 10 . 1 1 49 49 SER H H 49 8.399 8.399 7.859 0.540 18612 6686 1 10 . 1 1 50 50 LYS N N 50 121.935 121.935 121.802 0.133 18612 6687 1 10 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.253 0.188 18612 6688 1 10 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.416 0.104 18612 6689 1 10 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.985 -2.530 18612 6690 1 10 . 1 1 50 50 LYS H H 50 8.058 8.058 7.932 0.126 18612 6691 1 10 . 1 1 51 51 GLN N N 51 122.155 122.155 120.522 1.633 18612 6692 1 10 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.264 -0.061 18612 6693 1 10 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.591 0.618 18612 6694 1 10 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.658 1.130 18612 6695 1 10 . 1 1 51 51 GLN H H 51 8.273 8.273 8.539 -0.266 18612 6696 1 10 . 1 1 52 52 LYS N N 52 122.761 122.761 119.963 2.798 18612 6697 1 10 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.427 -0.112 18612 6698 1 10 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.328 1.152 18612 6699 1 10 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.741 -0.819 18612 6700 1 10 . 1 1 52 52 LYS H H 52 8.251 8.251 7.558 0.693 18612 6701 1 10 . 1 1 53 53 PHE N N 53 121.326 121.326 122.194 -0.868 18612 6702 1 10 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.633 0.011 18612 6703 1 10 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.685 -0.045 18612 6704 1 10 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.369 1.219 18612 6705 1 10 . 1 1 53 53 PHE H H 53 8.153 8.153 8.553 -0.400 18612 6706 1 10 . 1 1 54 54 VAL N N 54 122.941 122.941 118.759 4.182 18612 6707 1 10 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.430 -0.387 18612 6708 1 10 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.089 0.891 18612 6709 1 10 . 1 1 54 54 VAL CB C 54 33.181 33.181 35.099 -1.918 18612 6710 1 10 . 1 1 54 54 VAL H H 54 7.960 7.960 7.825 0.135 18612 6711 1 10 . 1 1 55 55 LEU N N 55 126.751 126.751 124.125 2.626 18612 6712 1 10 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.358 -0.045 18612 6713 1 10 . 1 1 55 55 LEU CA C 55 55.060 55.060 56.703 -1.643 18612 6714 1 10 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.256 0.059 18612 6715 1 10 . 1 1 55 55 LEU H H 55 8.226 8.226 8.441 -0.215 18612 6716 1 10 . 1 1 56 56 LYS N N 56 123.614 123.614 119.778 3.836 18612 6717 1 10 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.488 -0.116 18612 6718 1 10 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.061 -0.149 18612 6719 1 10 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.541 0.650 18612 6720 1 10 . 1 1 56 56 LYS H H 56 8.320 8.320 7.792 0.528 18612 6721 1 10 . 1 1 57 57 THR N N 57 115.794 115.794 116.141 -0.347 18612 6722 1 10 . 1 1 57 57 THR HA H 57 4.349 4.349 4.676 -0.327 18612 6723 1 10 . 1 1 57 57 THR CA C 57 58.960 58.960 58.890 0.070 18612 6724 1 10 . 1 1 57 57 THR CB C 57 70.740 70.740 68.943 1.797 18612 6725 1 10 . 1 1 57 57 THR H H 57 7.892 7.892 7.864 0.028 18612 6726 1 10 . 1 1 59 59 LYS N N 59 121.755 121.755 120.419 1.336 18612 6727 1 10 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.248 -0.021 18612 6728 1 10 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.877 0.643 18612 6729 1 10 . 1 1 59 59 LYS CB C 59 33.094 33.094 31.492 1.601 18612 6730 1 10 . 1 1 59 59 LYS H H 59 8.300 8.300 8.111 0.189 18612 6731 1 10 . 1 1 60 60 ALA N N 60 125.263 125.263 127.212 -1.949 18612 6732 1 10 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.399 -0.121 18612 6733 1 10 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.827 0.037 18612 6734 1 10 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.486 -0.506 18612 6735 1 10 . 1 1 60 60 ALA H H 60 8.290 8.290 8.585 -0.295 18612 6736 1 10 . 1 1 61 61 LEU N N 61 121.255 121.255 120.292 0.963 18612 6737 1 10 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.568 -0.288 18612 6738 1 10 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.509 1.076 18612 6739 1 10 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.988 -0.743 18612 6740 1 10 . 1 1 61 61 LEU H H 61 8.144 8.144 7.818 0.326 18612 6741 1 10 . 1 1 62 62 GLU N N 62 121.401 121.401 119.891 1.510 18612 6742 1 10 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.492 -0.216 18612 6743 1 10 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.802 1.128 18612 6744 1 10 . 1 1 62 62 GLU CB C 62 30.235 30.235 31.599 -1.365 18612 6745 1 10 . 1 1 62 62 GLU H H 62 8.266 8.266 8.423 -0.157 18612 6746 1 10 . 1 1 64 64 LYS N N 64 120.575 120.575 126.219 -5.644 18612 6747 1 10 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.584 -0.340 18612 6748 1 10 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.749 0.336 18612 6749 1 10 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.653 -4.183 18612 6750 1 10 . 1 1 64 64 LYS H H 64 8.106 8.106 8.522 -0.416 18612 6751 1 10 . 1 1 65 65 ILE N N 65 122.492 122.492 118.792 3.700 18612 6752 1 10 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.299 -0.159 18612 6753 1 10 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.982 0.198 18612 6754 1 10 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.069 -0.519 18612 6755 1 10 . 1 1 65 65 ILE H H 65 8.135 8.135 8.425 -0.290 18612 6756 1 10 . 1 1 66 66 ARG N N 66 125.714 125.714 121.389 4.325 18612 6757 1 10 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.238 0.230 18612 6758 1 10 . 1 1 66 66 ARG CA C 66 56.067 56.067 57.802 -1.735 18612 6759 1 10 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.546 0.480 18612 6760 1 10 . 1 1 66 66 ARG H H 66 8.402 8.402 8.361 0.041 18612 6761 1 10 . 1 1 67 67 THR N N 67 115.622 115.622 109.028 6.594 18612 6762 1 10 . 1 1 67 67 THR HA H 67 4.445 4.445 4.591 -0.146 18612 6763 1 10 . 1 1 67 67 THR CA C 67 61.650 61.650 61.700 -0.049 18612 6764 1 10 . 1 1 67 67 THR CB C 67 69.620 69.620 71.109 -1.488 18612 6765 1 10 . 1 1 67 67 THR H H 67 8.281 8.281 7.560 0.721 18612 6766 1 10 . 1 1 68 68 THR N N 68 116.774 116.774 116.543 0.231 18612 6767 1 10 . 1 1 68 68 THR HA H 68 4.503 4.503 4.456 0.047 18612 6768 1 10 . 1 1 68 68 THR CA C 68 61.050 61.050 63.059 -2.009 18612 6769 1 10 . 1 1 68 68 THR CB C 68 69.210 69.210 70.335 -1.125 18612 6770 1 10 . 1 1 68 68 THR H H 68 8.076 8.076 8.274 -0.198 18612 6771 1 10 . 1 1 69 69 GLU N N 69 124.048 124.048 119.648 4.400 18612 6772 1 10 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.350 0.026 18612 6773 1 10 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.532 -0.132 18612 6774 1 10 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.662 -0.044 18612 6775 1 10 . 1 1 69 69 GLU H H 69 8.515 8.515 8.056 0.459 18612 6776 1 10 . 1 1 70 70 THR N N 70 118.988 118.988 113.120 5.868 18612 6777 1 10 . 1 1 70 70 THR HA H 70 3.741 3.741 4.162 -0.421 18612 6778 1 10 . 1 1 70 70 THR CA C 70 64.680 64.680 63.213 1.467 18612 6779 1 10 . 1 1 70 70 THR CB C 70 68.770 68.770 69.010 -0.240 18612 6780 1 10 . 1 1 70 70 THR H H 70 8.259 8.259 7.877 0.382 18612 6781 1 10 . 1 1 71 71 GLN N N 71 125.858 125.858 123.826 2.032 18612 6782 1 10 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.360 -0.066 18612 6783 1 10 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.657 -0.257 18612 6784 1 10 . 1 1 71 71 GLN CB C 71 32.071 32.071 29.992 2.079 18612 6785 1 10 . 1 1 71 71 GLN H H 71 8.795 8.795 8.781 0.014 18612 6786 1 10 . 1 1 72 72 VAL N N 72 113.505 113.505 111.585 1.920 18612 6787 1 10 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.553 0.345 18612 6788 1 10 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.597 0.023 18612 6789 1 10 . 1 1 72 72 VAL CB C 72 35.404 35.404 34.602 0.802 18612 6790 1 10 . 1 1 72 72 VAL H H 72 7.325 7.325 7.373 -0.048 18612 6791 1 10 . 1 1 73 73 LEU N N 73 128.725 128.725 121.724 7.001 18612 6792 1 10 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.737 0.355 18612 6793 1 10 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.972 -1.232 18612 6794 1 10 . 1 1 73 73 LEU CB C 73 45.081 45.081 44.780 0.301 18612 6795 1 10 . 1 1 73 73 LEU H H 73 8.170 8.170 8.377 -0.207 18612 6796 1 10 . 1 1 74 74 VAL N N 74 127.634 127.634 122.579 5.055 18612 6797 1 10 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.313 0.453 18612 6798 1 10 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.485 1.605 18612 6799 1 10 . 1 1 74 74 VAL CB C 74 31.690 31.690 31.680 0.010 18612 6800 1 10 . 1 1 74 74 VAL H H 74 8.913 8.913 8.278 0.635 18612 6801 1 10 . 1 1 75 75 ALA N N 75 132.602 132.602 130.986 1.616 18612 6802 1 10 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.760 0.047 18612 6803 1 10 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.822 0.078 18612 6804 1 10 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.520 2.400 18612 6805 1 10 . 1 1 75 75 ALA H H 75 9.421 9.421 8.813 0.608 18612 6806 1 10 . 1 1 76 76 SER N N 76 111.274 111.274 119.220 -7.946 18612 6807 1 10 . 1 1 76 76 SER HA H 76 4.951 4.951 4.999 -0.048 18612 6808 1 10 . 1 1 76 76 SER CA C 76 56.940 56.940 56.712 0.228 18612 6809 1 10 . 1 1 76 76 SER CB C 76 65.960 65.960 64.192 1.768 18612 6810 1 10 . 1 1 76 76 SER H H 76 8.106 8.106 8.719 -0.613 18612 6811 1 10 . 1 1 77 77 ALA N N 77 125.393 125.393 129.086 -3.693 18612 6812 1 10 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.550 -0.089 18612 6813 1 10 . 1 1 77 77 ALA CA C 77 52.754 52.754 52.191 0.563 18612 6814 1 10 . 1 1 77 77 ALA CB C 77 19.740 19.740 18.522 1.218 18612 6815 1 10 . 1 1 77 77 ALA H H 77 9.004 9.004 9.102 -0.098 18612 6816 1 10 . 1 1 78 78 GLN N N 78 116.290 116.290 118.646 -2.356 18612 6817 1 10 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.316 0.127 18612 6818 1 10 . 1 1 78 78 GLN CA C 78 56.630 56.630 56.031 0.599 18612 6819 1 10 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.838 0.715 18612 6820 1 10 . 1 1 78 78 GLN H H 78 7.985 7.985 7.897 0.088 18612 6821 1 10 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.807 -0.244 18612 6822 1 10 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.026 -7.026 18612 6823 1 10 . 1 1 81 81 LEU CB C 81 41.021 41.021 44.530 -3.509 18612 6824 1 10 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.485 0.313 18612 6825 1 10 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.005 -0.099 18612 6826 1 10 . 1 1 85 85 ARG N N 85 119.948 119.948 118.921 1.027 18612 6827 1 10 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.069 -0.198 18612 6828 1 10 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.494 1.186 18612 6829 1 10 . 1 1 85 85 ARG CB C 85 31.921 31.921 30.000 1.921 18612 6830 1 10 . 1 1 85 85 ARG H H 85 8.229 8.229 8.306 -0.077 18612 6831 1 10 . 1 1 86 86 LEU N N 86 120.227 120.227 120.889 -0.662 18612 6832 1 10 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.971 -0.145 18612 6833 1 10 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.486 -0.296 18612 6834 1 10 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.761 -0.173 18612 6835 1 10 . 1 1 86 86 LEU H H 86 8.459 8.459 7.886 0.573 18612 6836 1 10 . 1 1 87 87 LYS N N 87 120.470 120.470 118.971 1.499 18612 6837 1 10 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.033 -0.012 18612 6838 1 10 . 1 1 87 87 LYS CA C 87 59.380 59.380 58.957 0.423 18612 6839 1 10 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.180 0.718 18612 6840 1 10 . 1 1 87 87 LYS H H 87 7.945 7.945 7.817 0.128 18612 6841 1 10 . 1 1 88 88 LEU N N 88 119.799 119.799 120.434 -0.635 18612 6842 1 10 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.050 0.157 18612 6843 1 10 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.323 -0.643 18612 6844 1 10 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.143 -0.918 18612 6845 1 10 . 1 1 88 88 LEU H H 88 7.547 7.547 7.841 -0.294 18612 6846 1 10 . 1 1 89 89 VAL N N 89 118.828 118.828 116.041 2.787 18612 6847 1 10 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.590 -0.272 18612 6848 1 10 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.012 1.738 18612 6849 1 10 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.041 0.338 18612 6850 1 10 . 1 1 89 89 VAL H H 89 8.347 8.347 8.327 0.020 18612 6851 1 10 . 1 1 90 90 SER N N 90 114.835 114.835 116.054 -1.219 18612 6852 1 10 . 1 1 90 90 SER HA H 90 4.207 4.207 4.003 0.204 18612 6853 1 10 . 1 1 90 90 SER CA C 90 62.000 62.000 62.145 -0.145 18612 6854 1 10 . 1 1 90 90 SER CB C 90 62.770 62.770 62.905 -0.135 18612 6855 1 10 . 1 1 90 90 SER H H 90 7.942 7.942 8.014 -0.072 18612 6856 1 10 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.134 -0.091 18612 6857 1 10 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.423 0.017 18612 6858 1 10 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.753 0.481 18612 6859 1 10 . 1 1 92 92 LEU N N 92 119.720 119.720 118.384 1.336 18612 6860 1 10 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.177 -0.229 18612 6861 1 10 . 1 1 92 92 LEU CA C 92 58.120 58.120 56.914 1.206 18612 6862 1 10 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.622 -1.046 18612 6863 1 10 . 1 1 92 92 LEU H H 92 8.379 8.379 7.841 0.538 18612 6864 1 10 . 1 1 93 93 GLN N N 93 120.938 120.938 118.860 2.078 18612 6865 1 10 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.909 -0.356 18612 6866 1 10 . 1 1 93 93 GLN CA C 93 59.050 59.050 57.417 1.633 18612 6867 1 10 . 1 1 93 93 GLN CB C 93 27.980 27.980 30.194 -2.214 18612 6868 1 10 . 1 1 93 93 GLN H H 93 8.751 8.751 7.666 1.085 18612 6869 1 10 . 1 1 94 94 ASP N N 94 122.442 122.442 121.329 1.113 18612 6870 1 10 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.516 -0.057 18612 6871 1 10 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.419 0.681 18612 6872 1 10 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.389 -1.129 18612 6873 1 10 . 1 1 94 94 ASP H H 94 8.470 8.470 8.406 0.064 18612 6874 1 10 . 1 1 95 95 ALA N N 95 120.437 120.437 120.593 -0.156 18612 6875 1 10 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.395 0.117 18612 6876 1 10 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.510 -1.764 18612 6877 1 10 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.920 0.100 18612 6878 1 10 . 1 1 95 95 ALA H H 95 7.340 7.340 7.829 -0.489 18612 6879 1 10 . 1 1 96 96 GLY N N 96 106.865 106.865 105.948 0.917 18612 6880 1 10 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.234 1.056 18612 6881 1 10 . 1 1 96 96 GLY H H 96 7.987 7.987 7.524 0.463 18612 6882 1 10 . 1 1 97 97 ILE N N 97 122.489 122.489 116.524 5.965 18612 6883 1 10 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.531 -0.277 18612 6884 1 10 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.474 0.176 18612 6885 1 10 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.968 -0.995 18612 6886 1 10 . 1 1 97 97 ILE H H 97 8.062 8.062 7.856 0.206 18612 6887 1 10 . 1 1 98 98 LYS N N 98 127.459 127.459 124.174 3.285 18612 6888 1 10 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.542 -0.035 18612 6889 1 10 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.636 0.285 18612 6890 1 10 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.467 -0.033 18612 6891 1 10 . 1 1 98 98 LYS H H 98 8.574 8.574 8.610 -0.036 18612 6892 1 10 . 1 1 99 99 ALA N N 99 130.423 130.423 128.603 1.820 18612 6893 1 10 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.306 1.458 18612 6894 1 10 . 1 1 99 99 ALA CA C 99 49.211 49.211 52.397 -3.186 18612 6895 1 10 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.760 5.110 18612 6896 1 10 . 1 1 99 99 ALA H H 99 7.813 7.813 8.241 -0.427 18612 6897 1 10 . 1 1 100 100 GLU N N 100 118.988 118.988 123.269 -4.281 18612 6898 1 10 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.822 0.013 18612 6899 1 10 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.373 -0.667 18612 6900 1 10 . 1 1 100 100 GLU CB C 100 35.921 35.921 32.764 3.157 18612 6901 1 10 . 1 1 100 100 GLU H H 100 8.226 8.226 8.400 -0.174 18612 6902 1 10 . 1 1 101 101 LEU N N 101 120.024 120.024 120.225 -0.201 18612 6903 1 10 . 1 1 101 101 LEU HA H 101 4.714 4.714 5.128 -0.414 18612 6904 1 10 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.406 0.354 18612 6905 1 10 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.725 0.359 18612 6906 1 10 . 1 1 101 101 LEU H H 101 8.478 8.478 8.574 -0.096 18612 6907 1 10 . 1 1 102 102 LEU N N 102 118.623 118.623 124.658 -6.035 18612 6908 1 10 . 1 1 102 102 LEU HA H 102 4.034 4.034 3.803 0.231 18612 6909 1 10 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.084 4.376 18612 6910 1 10 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.280 -2.055 18612 6911 1 10 . 1 1 102 102 LEU H H 102 8.763 8.763 7.373 1.390 18612 6912 1 10 . 1 1 103 103 TYR N N 103 115.970 115.970 111.467 4.503 18612 6913 1 10 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.076 0.506 18612 6914 1 10 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.696 -1.723 18612 6915 1 10 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.335 3.397 18612 6916 1 10 . 1 1 103 103 TYR H H 103 7.378 7.378 6.981 0.397 18612 6917 1 10 . 1 1 104 104 LYS N N 104 120.577 120.577 120.741 -0.164 18612 6918 1 10 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.106 0.033 18612 6919 1 10 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.672 -0.192 18612 6920 1 10 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.102 1.820 18612 6921 1 10 . 1 1 104 104 LYS H H 104 7.906 7.906 7.568 0.338 18612 6922 1 10 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.841 0.188 18612 6923 1 10 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.135 -0.136 18612 6924 1 10 . 1 1 113 113 LEU N N 113 120.147 120.147 121.473 -1.326 18612 6925 1 10 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.204 -0.221 18612 6926 1 10 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.520 0.900 18612 6927 1 10 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.037 -0.444 18612 6928 1 10 . 1 1 113 113 LEU H H 113 8.365 8.365 8.650 -0.285 18612 6929 1 10 . 1 1 114 114 GLN N N 114 119.995 119.995 119.405 0.590 18612 6930 1 10 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.056 -0.019 18612 6931 1 10 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.841 0.129 18612 6932 1 10 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.516 -0.326 18612 6933 1 10 . 1 1 114 114 GLN H H 114 8.126 8.126 8.370 -0.244 18612 6934 1 10 . 1 1 115 115 TYR N N 115 120.358 120.358 120.888 -0.530 18612 6935 1 10 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.303 -0.008 18612 6936 1 10 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.062 -0.032 18612 6937 1 10 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.554 -0.785 18612 6938 1 10 . 1 1 115 115 TYR H H 115 7.819 7.819 8.629 -0.810 18612 6939 1 10 . 1 1 116 116 CYS N N 116 116.264 116.264 117.641 -1.377 18612 6940 1 10 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.027 -0.211 18612 6941 1 10 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.724 2.506 18612 6942 1 10 . 1 1 116 116 CYS CB C 116 27.320 27.320 28.180 -0.860 18612 6943 1 10 . 1 1 116 116 CYS H H 116 7.710 7.710 8.403 -0.693 18612 6944 1 10 . 1 1 117 117 GLU N N 117 119.526 119.526 120.264 -0.738 18612 6945 1 10 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.008 -0.160 18612 6946 1 10 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.674 -0.524 18612 6947 1 10 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.639 0.062 18612 6948 1 10 . 1 1 117 117 GLU H H 117 7.912 7.912 7.627 0.285 18612 6949 1 10 . 1 1 118 118 GLU N N 118 119.875 119.875 118.255 1.620 18612 6950 1 10 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.173 -0.204 18612 6951 1 10 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.714 0.066 18612 6952 1 10 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.771 0.039 18612 6953 1 10 . 1 1 118 118 GLU H H 118 7.988 7.988 7.799 0.189 18612 6954 1 10 . 1 1 119 119 ALA N N 119 119.118 119.118 120.478 -1.360 18612 6955 1 10 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.068 0.098 18612 6956 1 10 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.262 -0.608 18612 6957 1 10 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.074 1.006 18612 6958 1 10 . 1 1 119 119 ALA H H 119 8.137 8.137 7.536 0.601 18612 6959 1 10 . 1 1 120 120 GLY N N 120 106.604 106.604 107.455 -0.851 18612 6960 1 10 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.097 2.280 18612 6961 1 10 . 1 1 120 120 GLY H H 120 7.550 7.550 8.001 -0.451 18612 6962 1 10 . 1 1 121 121 ILE N N 121 124.026 124.026 117.102 6.924 18612 6963 1 10 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.098 -0.087 18612 6964 1 10 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.076 0.974 18612 6965 1 10 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.191 3.860 18612 6966 1 10 . 1 1 121 121 ILE H H 121 7.918 7.918 7.232 0.686 18612 6967 1 10 . 1 1 123 123 LEU N N 123 119.541 119.541 115.818 3.723 18612 6968 1 10 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.990 0.513 18612 6969 1 10 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.603 0.083 18612 6970 1 10 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.134 0.923 18612 6971 1 10 . 1 1 123 123 LEU H H 123 6.973 6.973 7.783 -0.810 18612 6972 1 10 . 1 1 124 124 VAL N N 124 119.580 119.580 119.341 0.239 18612 6973 1 10 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.891 0.145 18612 6974 1 10 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.888 -1.308 18612 6975 1 10 . 1 1 124 124 VAL CB C 124 35.257 35.257 37.284 -2.027 18612 6976 1 10 . 1 1 124 124 VAL H H 124 8.823 8.823 8.434 0.389 18612 6977 1 10 . 1 1 125 125 ALA N N 125 130.810 130.810 124.715 6.095 18612 6978 1 10 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.321 -0.165 18612 6979 1 10 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.158 -0.963 18612 6980 1 10 . 1 1 125 125 ALA CB C 125 20.060 20.060 23.020 -2.960 18612 6981 1 10 . 1 1 125 125 ALA H H 125 9.083 9.083 9.211 -0.128 18612 6982 1 10 . 1 1 126 126 ILE N N 126 124.925 124.925 122.953 1.972 18612 6983 1 10 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.023 -0.520 18612 6984 1 10 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.138 1.822 18612 6985 1 10 . 1 1 126 126 ILE CB C 126 39.805 39.805 36.758 3.047 18612 6986 1 10 . 1 1 126 126 ILE H H 126 9.564 9.564 8.059 1.505 18612 6987 1 10 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.640 0.003 18612 6988 1 10 . 1 1 127 127 ILE CA C 127 59.440 59.440 58.693 0.747 18612 6989 1 10 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.590 0.412 18612 6990 1 10 . 1 1 129 129 GLU N N 129 121.547 121.547 122.364 -0.817 18612 6991 1 10 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.542 -0.594 18612 6992 1 10 . 1 1 129 129 GLU CA C 129 60.400 60.400 56.950 3.450 18612 6993 1 10 . 1 1 129 129 GLU CB C 129 30.302 30.302 30.942 -0.639 18612 6994 1 10 . 1 1 129 129 GLU H H 129 9.035 9.035 8.565 0.470 18612 6995 1 10 . 1 1 130 130 GLN N N 130 120.221 120.221 117.716 2.505 18612 6996 1 10 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.083 -0.206 18612 6997 1 10 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.961 -0.541 18612 6998 1 10 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.003 0.397 18612 6999 1 10 . 1 1 130 130 GLN H H 130 8.914 8.914 8.568 0.346 18612 7000 1 10 . 1 1 131 131 GLU N N 131 120.680 120.680 119.969 0.711 18612 7001 1 10 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.222 -0.283 18612 7002 1 10 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.524 2.686 18612 7003 1 10 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.140 -0.970 18612 7004 1 10 . 1 1 131 131 GLU H H 131 8.871 8.871 8.500 0.371 18612 7005 1 10 . 1 1 132 132 LEU N N 132 118.303 118.303 119.952 -1.649 18612 7006 1 10 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.160 0.202 18612 7007 1 10 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.915 -1.799 18612 7008 1 10 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.035 -0.212 18612 7009 1 10 . 1 1 132 132 LEU H H 132 8.152 8.152 7.750 0.402 18612 7010 1 10 . 1 1 133 133 LYS N N 133 120.924 120.924 118.931 1.993 18612 7011 1 10 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.118 -0.037 18612 7012 1 10 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.469 0.111 18612 7013 1 10 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.378 0.094 18612 7014 1 10 . 1 1 133 133 LYS H H 133 7.631 7.631 7.867 -0.236 18612 7015 1 10 . 1 1 134 134 ASP N N 134 118.256 118.256 117.180 1.076 18612 7016 1 10 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.574 0.095 18612 7017 1 10 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.748 -0.597 18612 7018 1 10 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.656 -0.275 18612 7019 1 10 . 1 1 134 134 ASP H H 134 7.985 7.985 8.095 -0.110 18612 7020 1 10 . 1 1 135 135 GLY N N 135 109.383 109.383 106.318 3.065 18612 7021 1 10 . 1 1 135 135 GLY CA C 135 46.563 46.563 44.559 2.004 18612 7022 1 10 . 1 1 135 135 GLY H H 135 8.019 8.019 7.992 0.027 18612 7023 1 10 . 1 1 136 136 VAL N N 136 117.112 117.112 113.876 3.236 18612 7024 1 10 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.734 1.169 18612 7025 1 10 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.179 -3.229 18612 7026 1 10 . 1 1 136 136 VAL CB C 136 35.885 35.885 31.450 4.436 18612 7027 1 10 . 1 1 136 136 VAL H H 136 8.229 8.229 7.278 0.951 18612 7028 1 10 . 1 1 137 137 ILE N N 137 121.971 121.971 120.540 1.431 18612 7029 1 10 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.420 -0.246 18612 7030 1 10 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.919 -2.359 18612 7031 1 10 . 1 1 137 137 ILE CB C 137 40.789 40.789 38.334 2.455 18612 7032 1 10 . 1 1 137 137 ILE H H 137 8.975 8.975 7.969 1.006 18612 7033 1 10 . 1 1 138 138 LYS N N 138 126.613 126.613 128.486 -1.873 18612 7034 1 10 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.960 -0.036 18612 7035 1 10 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.697 1.018 18612 7036 1 10 . 1 1 138 138 LYS CB C 138 33.217 33.217 33.812 -0.595 18612 7037 1 10 . 1 1 138 138 LYS H H 138 7.726 7.726 8.058 -0.332 18612 7038 1 10 . 1 1 139 139 LEU N N 139 129.177 129.177 128.281 0.896 18612 7039 1 10 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.481 0.722 18612 7040 1 10 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.071 -0.781 18612 7041 1 10 . 1 1 139 139 LEU CB C 139 44.760 44.760 42.024 2.736 18612 7042 1 10 . 1 1 139 139 LEU H H 139 9.404 9.404 8.319 1.085 18612 7043 1 10 . 1 1 140 140 ARG N N 140 128.243 128.243 126.332 1.911 18612 7044 1 10 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.365 0.897 18612 7045 1 10 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.485 -2.800 18612 7046 1 10 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.252 -2.262 18612 7047 1 10 . 1 1 140 140 ARG H H 140 9.540 9.540 7.915 1.625 18612 7048 1 10 . 1 1 142 142 VAL N N 142 129.670 129.670 124.276 5.394 18612 7049 1 10 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.681 -0.134 18612 7050 1 10 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.813 0.137 18612 7051 1 10 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.621 1.067 18612 7052 1 10 . 1 1 142 142 VAL H H 142 8.336 8.336 7.937 0.399 18612 7053 1 10 . 1 1 143 143 THR N N 143 111.061 111.061 112.861 -1.800 18612 7054 1 10 . 1 1 143 143 THR HA H 143 4.157 4.157 4.176 -0.019 18612 7055 1 10 . 1 1 143 143 THR CA C 143 69.400 69.400 64.641 4.759 18612 7056 1 10 . 1 1 143 143 THR CB C 143 70.020 70.020 68.897 1.123 18612 7057 1 10 . 1 1 143 143 THR H H 143 8.248 8.248 7.860 0.388 18612 7058 1 10 . 1 1 144 144 SER N N 144 115.158 115.158 117.091 -1.933 18612 7059 1 10 . 1 1 144 144 SER HA H 144 4.514 4.514 4.425 0.089 18612 7060 1 10 . 1 1 144 144 SER CA C 144 58.370 58.370 60.310 -1.940 18612 7061 1 10 . 1 1 144 144 SER CB C 144 64.500 64.500 63.698 0.802 18612 7062 1 10 . 1 1 144 144 SER H H 144 7.812 7.812 8.322 -0.510 18612 7063 1 10 . 1 1 145 145 ARG N N 145 116.527 116.527 119.866 -3.339 18612 7064 1 10 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.463 -0.637 18612 7065 1 10 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.968 2.332 18612 7066 1 10 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.265 -4.065 18612 7067 1 10 . 1 1 145 145 ARG H H 145 7.836 7.836 7.798 0.038 18612 7068 1 10 . 1 1 146 146 GLU N N 146 119.889 119.889 115.255 4.634 18612 7069 1 10 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.363 -0.094 18612 7070 1 10 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.776 0.154 18612 7071 1 10 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.038 -0.400 18612 7072 1 10 . 1 1 146 146 GLU H H 146 7.675 7.675 8.466 -0.791 18612 7073 1 10 . 1 1 147 147 GLU N N 147 124.286 124.286 119.217 5.069 18612 7074 1 10 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.723 0.596 18612 7075 1 10 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.398 -0.463 18612 7076 1 10 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.927 0.813 18612 7077 1 10 . 1 1 147 147 GLU H H 147 8.602 8.602 8.015 0.587 18612 7078 1 10 . 1 1 148 148 VAL N N 148 120.587 120.587 116.368 4.219 18612 7079 1 10 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.680 -0.146 18612 7080 1 10 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.149 0.511 18612 7081 1 10 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.117 0.573 18612 7082 1 10 . 1 1 148 148 VAL H H 148 8.536 8.536 8.138 0.398 18612 7083 1 10 . 1 1 149 149 ASP N N 149 125.031 125.031 122.980 2.051 18612 7084 1 10 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.825 0.329 18612 7085 1 10 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.243 -0.330 18612 7086 1 10 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.407 -0.626 18612 7087 1 10 . 1 1 149 149 ASP H H 149 8.411 8.411 8.364 0.047 18612 7088 1 10 . 1 1 150 150 VAL N N 150 123.264 123.264 119.406 3.858 18612 7089 1 10 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.827 -0.427 18612 7090 1 10 . 1 1 150 150 VAL CA C 150 59.640 59.640 58.832 0.808 18612 7091 1 10 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.117 -1.092 18612 7092 1 10 . 1 1 150 150 VAL H H 150 9.061 9.061 8.654 0.407 18612 7093 1 10 . 1 1 151 151 ARG N N 151 125.112 125.112 118.954 6.158 18612 7094 1 10 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.793 -0.385 18612 7095 1 10 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.773 2.337 18612 7096 1 10 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.105 -0.215 18612 7097 1 10 . 1 1 151 151 ARG H H 151 9.048 9.048 8.630 0.418 18612 7098 1 10 . 1 1 152 152 ARG N N 152 124.828 124.828 119.805 5.023 18612 7099 1 10 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.750 -0.084 18612 7100 1 10 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.321 -0.291 18612 7101 1 10 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.629 1.381 18612 7102 1 10 . 1 1 152 152 ARG H H 152 8.582 8.582 8.842 -0.260 18612 7103 1 10 . 1 1 153 153 GLU N N 153 116.730 116.730 118.356 -1.626 18612 7104 1 10 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.064 0.136 18612 7105 1 10 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.508 -0.538 18612 7106 1 10 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.322 -0.742 18612 7107 1 10 . 1 1 153 153 GLU H H 153 9.924 9.924 8.487 1.437 18612 7108 1 10 . 1 1 154 154 ASP N N 154 119.318 119.318 119.210 0.108 18612 7109 1 10 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.448 0.570 18612 7110 1 10 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.328 -2.936 18612 7111 1 10 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.236 2.054 18612 7112 1 10 . 1 1 154 154 ASP H H 154 7.758 7.758 8.577 -0.819 18612 7113 1 10 . 1 1 155 155 LEU N N 155 121.863 121.863 120.401 1.462 18612 7114 1 10 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.056 -0.241 18612 7115 1 10 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.809 1.361 18612 7116 1 10 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.026 0.602 18612 7117 1 10 . 1 1 155 155 LEU H H 155 7.315 7.315 7.609 -0.294 18612 7118 1 10 . 1 1 156 156 VAL N N 156 118.555 118.555 118.539 0.016 18612 7119 1 10 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.581 -0.326 18612 7120 1 10 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.625 1.035 18612 7121 1 10 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.267 -0.037 18612 7122 1 10 . 1 1 156 156 VAL H H 156 8.490 8.490 7.769 0.721 18612 7123 1 10 . 1 1 157 157 GLU N N 157 118.568 118.568 119.383 -0.815 18612 7124 1 10 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.063 -0.153 18612 7125 1 10 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.373 0.047 18612 7126 1 10 . 1 1 157 157 GLU H H 157 8.138 8.138 7.946 0.192 18612 7127 1 10 . 1 1 158 158 GLU N N 158 118.484 118.484 120.741 -2.257 18612 7128 1 10 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.151 -0.011 18612 7129 1 10 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.130 -1.840 18612 7130 1 10 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.411 0.063 18612 7131 1 10 . 1 1 158 158 GLU H H 158 8.138 8.138 7.902 0.236 18612 7132 1 10 . 1 1 159 159 ILE N N 159 119.508 119.508 119.748 -0.240 18612 7133 1 10 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.767 -0.339 18612 7134 1 10 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.214 0.676 18612 7135 1 10 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.754 -7.754 18612 7136 1 10 . 1 1 159 159 ILE H H 159 8.482 8.482 7.873 0.609 18612 7137 1 10 . 1 1 160 160 LYS N N 160 121.513 121.513 120.347 1.166 18612 7138 1 10 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.990 -0.212 18612 7139 1 10 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.506 1.344 18612 7140 1 10 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.014 0.236 18612 7141 1 10 . 1 1 160 160 LYS H H 160 8.424 8.424 8.017 0.407 18612 7142 1 10 . 1 1 161 161 ARG N N 161 118.966 118.966 117.495 1.471 18612 7143 1 10 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.071 -0.002 18612 7144 1 10 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.469 0.861 18612 7145 1 10 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.097 0.795 18612 7146 1 10 . 1 1 161 161 ARG H H 161 8.248 8.248 7.687 0.561 18612 7147 1 10 . 1 1 162 162 ARG N N 162 117.033 117.033 117.992 -0.959 18612 7148 1 10 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.162 0.080 18612 7149 1 10 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.624 -0.566 18612 7150 1 10 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.340 1.450 18612 7151 1 10 . 1 1 162 162 ARG H H 162 7.811 7.811 7.681 0.130 18612 7152 1 10 . 1 1 163 163 THR N N 163 108.588 108.588 108.274 0.314 18612 7153 1 10 . 1 1 163 163 THR HA H 163 4.549 4.549 4.287 0.262 18612 7154 1 10 . 1 1 163 163 THR CA C 163 61.820 61.820 62.863 -1.043 18612 7155 1 10 . 1 1 163 163 THR CB C 163 70.020 70.020 69.637 0.383 18612 7156 1 10 . 1 1 163 163 THR H H 163 7.831 7.831 8.213 -0.382 18612 7157 1 10 . 1 1 164 164 GLY N N 164 110.640 110.640 109.941 0.699 18612 7158 1 10 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.635 1.078 18612 7159 1 10 . 1 1 164 164 GLY H H 164 7.847 7.847 7.792 0.055 18612 7160 1 10 . 1 1 165 165 GLN N N 165 120.993 120.993 121.816 -0.823 18612 7161 1 10 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.781 -0.839 18612 7162 1 10 . 1 1 165 165 GLN CA C 165 56.077 56.077 52.315 3.762 18612 7163 1 10 . 1 1 165 165 GLN CB C 165 29.569 29.569 31.922 -2.353 18612 7164 1 10 . 1 1 165 165 GLN H H 165 8.141 8.141 8.389 -0.248 18612 7165 1 10 . 1 1 167 167 LEU N N 167 122.540 122.540 121.806 0.734 18612 7166 1 10 . 1 1 167 167 LEU H H 167 8.370 8.370 8.620 -0.250 18612 7167 1 10 . 1 1 168 168 SER N N 168 116.635 116.635 116.046 0.589 18612 7168 1 10 . 1 1 168 168 SER H H 168 8.269 8.269 8.016 0.253 18612 7169 1 10 . 1 1 169 169 ILE N N 169 122.767 122.767 123.114 -0.347 18612 7170 1 10 . 1 1 169 169 ILE H H 169 8.165 8.165 8.315 -0.150 18612 7171 1 11 . 1 1 2 2 GLU N N 2 120.329 120.329 120.245 0.084 18612 7172 1 11 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.421 -0.279 18612 7173 1 11 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.562 2.508 18612 7174 1 11 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.363 -0.863 18612 7175 1 11 . 1 1 2 2 GLU H H 2 8.498 8.498 8.553 -0.055 18612 7176 1 11 . 1 1 3 3 ARG N N 3 121.547 121.547 120.823 0.724 18612 7177 1 11 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.074 -0.050 18612 7178 1 11 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.001 0.240 18612 7179 1 11 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.755 0.195 18612 7180 1 11 . 1 1 3 3 ARG H H 3 8.238 8.238 8.438 -0.200 18612 7181 1 11 . 1 1 4 4 ALA N N 4 121.449 121.449 120.950 0.499 18612 7182 1 11 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.157 0.046 18612 7183 1 11 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.890 0.149 18612 7184 1 11 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.104 -0.194 18612 7185 1 11 . 1 1 4 4 ALA H H 4 8.068 8.068 8.493 -0.425 18612 7186 1 11 . 1 1 5 5 ALA N N 5 121.000 121.000 121.829 -0.829 18612 7187 1 11 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.294 -0.076 18612 7188 1 11 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.705 0.038 18612 7189 1 11 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.426 -0.016 18612 7190 1 11 . 1 1 5 5 ALA H H 5 7.831 7.831 8.102 -0.271 18612 7191 1 11 . 1 1 6 6 LEU N N 6 121.402 121.402 117.569 3.833 18612 7192 1 11 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.951 0.210 18612 7193 1 11 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.315 -0.365 18612 7194 1 11 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.334 0.707 18612 7195 1 11 . 1 1 6 6 LEU H H 6 7.919 7.919 7.808 0.111 18612 7196 1 11 . 1 1 7 7 GLU N N 7 119.203 119.203 120.321 -1.118 18612 7197 1 11 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.855 0.003 18612 7198 1 11 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.112 0.117 18612 7199 1 11 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.633 -0.093 18612 7200 1 11 . 1 1 7 7 GLU H H 7 8.706 8.706 8.494 0.212 18612 7201 1 11 . 1 1 8 8 GLU N N 8 120.194 120.194 118.591 1.603 18612 7202 1 11 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.064 0.131 18612 7203 1 11 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.886 0.284 18612 7204 1 11 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.141 0.319 18612 7205 1 11 . 1 1 8 8 GLU H H 8 7.761 7.761 7.931 -0.170 18612 7206 1 11 . 1 1 9 9 LEU N N 9 120.526 120.526 121.054 -0.528 18612 7207 1 11 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.058 0.106 18612 7208 1 11 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.900 0.220 18612 7209 1 11 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.899 -0.111 18612 7210 1 11 . 1 1 9 9 LEU H H 9 7.913 7.913 7.619 0.294 18612 7211 1 11 . 1 1 10 10 VAL N N 10 120.804 120.804 119.807 0.997 18612 7212 1 11 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.482 -0.025 18612 7213 1 11 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.711 0.319 18612 7214 1 11 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.011 1.036 18612 7215 1 11 . 1 1 10 10 VAL H H 10 8.570 8.570 8.304 0.266 18612 7216 1 11 . 1 1 11 11 LYS N N 11 123.175 123.175 120.308 2.867 18612 7217 1 11 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.920 0.124 18612 7218 1 11 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.867 0.003 18612 7219 1 11 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.177 0.215 18612 7220 1 11 . 1 1 11 11 LYS H H 11 7.909 7.909 7.702 0.207 18612 7221 1 11 . 1 1 12 12 LEU N N 12 120.772 120.772 116.501 4.271 18612 7222 1 11 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.663 -0.557 18612 7223 1 11 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.319 0.601 18612 7224 1 11 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.172 0.665 18612 7225 1 11 . 1 1 12 12 LEU H H 12 8.436 8.436 7.786 0.650 18612 7226 1 11 . 1 1 13 13 GLN N N 13 121.677 121.677 120.391 1.286 18612 7227 1 11 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.068 0.266 18612 7228 1 11 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.300 -1.900 18612 7229 1 11 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.169 -1.649 18612 7230 1 11 . 1 1 13 13 GLN H H 13 8.710 8.710 7.871 0.839 18612 7231 1 11 . 1 1 14 14 GLY N N 14 109.543 109.543 107.609 1.934 18612 7232 1 11 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.111 0.452 18612 7233 1 11 . 1 1 14 14 GLY H H 14 8.714 8.714 8.567 0.147 18612 7234 1 11 . 1 1 15 15 GLU N N 15 123.144 123.144 121.598 1.546 18612 7235 1 11 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.937 0.211 18612 7236 1 11 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.358 -0.388 18612 7237 1 11 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.469 -0.009 18612 7238 1 11 . 1 1 15 15 GLU H H 15 7.913 7.913 7.945 -0.032 18612 7239 1 11 . 1 1 16 16 ARG N N 16 123.135 123.135 120.325 2.810 18612 7240 1 11 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.064 0.074 18612 7241 1 11 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.487 -0.517 18612 7242 1 11 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.237 -0.837 18612 7243 1 11 . 1 1 16 16 ARG H H 16 8.104 8.104 7.673 0.431 18612 7244 1 11 . 1 1 17 17 VAL N N 17 119.501 119.501 119.751 -0.250 18612 7245 1 11 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.494 -0.081 18612 7246 1 11 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.922 0.528 18612 7247 1 11 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.337 0.721 18612 7248 1 11 . 1 1 17 17 VAL H H 17 8.192 8.192 8.121 0.071 18612 7249 1 11 . 1 1 18 18 ARG N N 18 119.372 119.372 118.958 0.414 18612 7250 1 11 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.025 -0.091 18612 7251 1 11 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.677 0.383 18612 7252 1 11 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.784 0.488 18612 7253 1 11 . 1 1 18 18 ARG H H 18 7.980 7.980 8.183 -0.203 18612 7254 1 11 . 1 1 19 19 GLY N N 19 107.241 107.241 108.169 -0.928 18612 7255 1 11 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.057 0.305 18612 7256 1 11 . 1 1 19 19 GLY H H 19 8.362 8.362 7.874 0.488 18612 7257 1 11 . 1 1 20 20 LEU N N 20 122.627 122.627 119.181 3.446 18612 7258 1 11 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.397 -0.348 18612 7259 1 11 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.307 0.583 18612 7260 1 11 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.765 0.655 18612 7261 1 11 . 1 1 20 20 LEU H H 20 8.049 8.049 8.160 -0.111 18612 7262 1 11 . 1 1 21 21 LYS N N 21 118.255 118.255 121.115 -2.860 18612 7263 1 11 . 1 1 21 21 LYS HA H 21 4.058 4.058 4.167 -0.109 18612 7264 1 11 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.662 0.348 18612 7265 1 11 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.190 0.404 18612 7266 1 11 . 1 1 21 21 LYS H H 21 8.123 8.123 8.661 -0.538 18612 7267 1 11 . 1 1 22 22 GLN N N 22 121.183 121.183 117.533 3.650 18612 7268 1 11 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.165 -0.078 18612 7269 1 11 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.583 0.177 18612 7270 1 11 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.017 -0.417 18612 7271 1 11 . 1 1 22 22 GLN H H 22 8.234 8.234 7.634 0.600 18612 7272 1 11 . 1 1 23 23 GLN N N 23 116.219 116.219 117.422 -1.203 18612 7273 1 11 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.278 -0.015 18612 7274 1 11 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.459 -1.781 18612 7275 1 11 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.535 -0.265 18612 7276 1 11 . 1 1 23 23 GLN H H 23 7.820 7.820 7.788 0.032 18612 7277 1 11 . 1 1 24 24 LYS N N 24 117.349 117.349 117.201 0.148 18612 7278 1 11 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.471 -0.559 18612 7279 1 11 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.148 1.882 18612 7280 1 11 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.105 -4.255 18612 7281 1 11 . 1 1 24 24 LYS H H 24 7.884 7.884 8.179 -0.295 18612 7282 1 11 . 1 1 25 25 ALA N N 25 119.909 119.909 122.874 -2.965 18612 7283 1 11 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.087 0.192 18612 7284 1 11 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.990 -1.970 18612 7285 1 11 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.535 3.785 18612 7286 1 11 . 1 1 25 25 ALA H H 25 7.620 7.620 7.866 -0.246 18612 7287 1 11 . 1 1 26 26 SER N N 26 113.188 113.188 113.110 0.078 18612 7288 1 11 . 1 1 26 26 SER HA H 26 4.244 4.244 4.232 0.012 18612 7289 1 11 . 1 1 26 26 SER CA C 26 58.390 58.390 58.247 0.143 18612 7290 1 11 . 1 1 26 26 SER CB C 26 63.830 63.830 62.257 1.573 18612 7291 1 11 . 1 1 26 26 SER H H 26 8.228 8.228 8.311 -0.083 18612 7292 1 11 . 1 1 27 27 ALA N N 27 127.550 127.550 122.294 5.256 18612 7293 1 11 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.922 0.062 18612 7294 1 11 . 1 1 27 27 ALA CA C 27 55.582 55.582 55.058 0.524 18612 7295 1 11 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.848 -0.078 18612 7296 1 11 . 1 1 27 27 ALA H H 27 8.769 8.769 8.256 0.513 18612 7297 1 11 . 1 1 28 28 GLU N N 28 117.317 117.317 117.834 -0.517 18612 7298 1 11 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.322 -0.248 18612 7299 1 11 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.450 0.250 18612 7300 1 11 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.366 -0.286 18612 7301 1 11 . 1 1 28 28 GLU H H 28 8.830 8.830 8.356 0.474 18612 7302 1 11 . 1 1 29 29 LEU N N 29 122.971 122.971 120.842 2.129 18612 7303 1 11 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.342 -0.031 18612 7304 1 11 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.825 -0.255 18612 7305 1 11 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.738 -0.133 18612 7306 1 11 . 1 1 29 29 LEU H H 29 7.401 7.401 7.929 -0.528 18612 7307 1 11 . 1 1 30 30 ILE N N 30 118.784 118.784 119.976 -1.192 18612 7308 1 11 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.660 -0.263 18612 7309 1 11 . 1 1 30 30 ILE CA C 30 66.310 66.310 63.431 2.879 18612 7310 1 11 . 1 1 30 30 ILE CB C 30 37.823 37.823 36.208 1.615 18612 7311 1 11 . 1 1 30 30 ILE H H 30 8.019 8.019 8.921 -0.902 18612 7312 1 11 . 1 1 31 31 GLU N N 31 118.215 118.215 119.549 -1.334 18612 7313 1 11 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.950 0.018 18612 7314 1 11 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.648 0.192 18612 7315 1 11 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.045 0.395 18612 7316 1 11 . 1 1 31 31 GLU H H 31 8.367 8.367 8.362 0.005 18612 7317 1 11 . 1 1 32 32 GLU N N 32 120.284 120.284 119.511 0.773 18612 7318 1 11 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.068 0.086 18612 7319 1 11 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.050 0.330 18612 7320 1 11 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.141 0.699 18612 7321 1 11 . 1 1 32 32 GLU H H 32 7.667 7.667 7.914 -0.247 18612 7322 1 11 . 1 1 33 33 GLU N N 33 120.010 120.010 119.759 0.251 18612 7323 1 11 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.146 0.072 18612 7324 1 11 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.363 -0.983 18612 7325 1 11 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.893 -1.714 18612 7326 1 11 . 1 1 33 33 GLU H H 33 8.156 8.156 8.456 -0.300 18612 7327 1 11 . 1 1 34 34 VAL N N 34 125.322 125.322 117.016 8.306 18612 7328 1 11 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.714 -0.072 18612 7329 1 11 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.271 0.579 18612 7330 1 11 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.341 0.499 18612 7331 1 11 . 1 1 34 34 VAL H H 34 9.243 9.243 8.394 0.849 18612 7332 1 11 . 1 1 35 35 ALA N N 35 123.214 123.214 122.509 0.705 18612 7333 1 11 . 1 1 35 35 ALA HA H 35 4.098 4.098 4.075 0.023 18612 7334 1 11 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.062 0.680 18612 7335 1 11 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.259 -1.009 18612 7336 1 11 . 1 1 35 35 ALA H H 35 8.160 8.160 7.914 0.246 18612 7337 1 11 . 1 1 36 36 LYS N N 36 117.979 117.979 119.751 -1.772 18612 7338 1 11 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.040 -0.045 18612 7339 1 11 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.493 0.307 18612 7340 1 11 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.377 0.485 18612 7341 1 11 . 1 1 36 36 LYS H H 36 7.607 7.607 7.619 -0.012 18612 7342 1 11 . 1 1 37 37 LEU N N 37 120.957 120.957 118.617 2.340 18612 7343 1 11 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.176 -0.173 18612 7344 1 11 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.324 0.186 18612 7345 1 11 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.083 0.947 18612 7346 1 11 . 1 1 37 37 LEU H H 37 7.762 7.762 8.137 -0.375 18612 7347 1 11 . 1 1 38 38 LEU N N 38 118.910 118.910 121.163 -2.253 18612 7348 1 11 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.929 0.047 18612 7349 1 11 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.508 -0.238 18612 7350 1 11 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.185 -0.227 18612 7351 1 11 . 1 1 38 38 LEU H H 38 8.636 8.636 7.807 0.829 18612 7352 1 11 . 1 1 39 39 LYS N N 39 120.804 120.804 118.579 2.225 18612 7353 1 11 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.998 0.082 18612 7354 1 11 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.123 0.327 18612 7355 1 11 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.125 0.533 18612 7356 1 11 . 1 1 39 39 LYS H H 39 7.864 7.864 7.686 0.178 18612 7357 1 11 . 1 1 40 40 LEU N N 40 120.940 120.940 120.740 0.200 18612 7358 1 11 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.943 0.167 18612 7359 1 11 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.277 -0.337 18612 7360 1 11 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.696 1.390 18612 7361 1 11 . 1 1 40 40 LEU H H 40 7.831 7.831 7.968 -0.137 18612 7362 1 11 . 1 1 41 41 LYS N N 41 117.563 117.563 118.784 -1.221 18612 7363 1 11 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.930 -0.080 18612 7364 1 11 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.515 0.565 18612 7365 1 11 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.836 0.667 18612 7366 1 11 . 1 1 41 41 LYS H H 41 8.493 8.493 8.393 0.100 18612 7367 1 11 . 1 1 42 42 ALA N N 42 121.396 121.396 121.488 -0.092 18612 7368 1 11 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.006 0.183 18612 7369 1 11 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.722 -0.442 18612 7370 1 11 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.230 -0.330 18612 7371 1 11 . 1 1 42 42 ALA H H 42 7.918 7.918 7.700 0.218 18612 7372 1 11 . 1 1 43 43 GLN N N 43 116.883 116.883 117.592 -0.709 18612 7373 1 11 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.064 0.072 18612 7374 1 11 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.243 -0.833 18612 7375 1 11 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.818 0.762 18612 7376 1 11 . 1 1 43 43 GLN H H 43 7.591 7.591 7.540 0.051 18612 7377 1 11 . 1 1 44 44 LEU N N 44 119.828 119.828 117.808 2.020 18612 7378 1 11 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.100 0.108 18612 7379 1 11 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.923 -0.846 18612 7380 1 11 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.241 0.186 18612 7381 1 11 . 1 1 44 44 LEU H H 44 7.574 7.574 7.642 -0.068 18612 7382 1 11 . 1 1 45 45 GLY N N 45 106.906 106.906 104.785 2.121 18612 7383 1 11 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.216 1.308 18612 7384 1 11 . 1 1 45 45 GLY H H 45 7.687 7.687 7.505 0.182 18612 7385 1 11 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.520 -0.073 18612 7386 1 11 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.345 -0.235 18612 7387 1 11 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.602 -0.172 18612 7388 1 11 . 1 1 47 47 ASP N N 47 121.060 121.060 119.548 1.512 18612 7389 1 11 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.867 -0.289 18612 7390 1 11 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.561 -0.079 18612 7391 1 11 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.566 -1.563 18612 7392 1 11 . 1 1 47 47 ASP H H 47 8.446 8.446 8.442 0.004 18612 7393 1 11 . 1 1 48 48 GLU N N 48 123.347 123.347 122.965 0.382 18612 7394 1 11 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.463 -0.219 18612 7395 1 11 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.917 0.013 18612 7396 1 11 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.418 0.129 18612 7397 1 11 . 1 1 48 48 GLU H H 48 8.577 8.577 8.650 -0.073 18612 7398 1 11 . 1 1 49 49 SER N N 49 116.751 116.751 115.156 1.595 18612 7399 1 11 . 1 1 49 49 SER HA H 49 4.349 4.349 4.250 0.099 18612 7400 1 11 . 1 1 49 49 SER CA C 49 59.380 59.380 60.318 -0.938 18612 7401 1 11 . 1 1 49 49 SER CB C 49 63.460 63.460 63.220 0.240 18612 7402 1 11 . 1 1 49 49 SER H H 49 8.399 8.399 8.157 0.242 18612 7403 1 11 . 1 1 50 50 LYS N N 50 121.935 121.935 119.566 2.369 18612 7404 1 11 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.114 0.327 18612 7405 1 11 . 1 1 50 50 LYS CA C 50 56.520 56.520 58.168 -1.648 18612 7406 1 11 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.826 -2.371 18612 7407 1 11 . 1 1 50 50 LYS H H 50 8.058 8.058 7.973 0.085 18612 7408 1 11 . 1 1 51 51 GLN N N 51 122.155 122.155 118.306 3.849 18612 7409 1 11 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.325 -0.122 18612 7410 1 11 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.123 1.086 18612 7411 1 11 . 1 1 51 51 GLN CB C 51 30.788 30.788 28.120 2.668 18612 7412 1 11 . 1 1 51 51 GLN H H 51 8.273 8.273 7.966 0.307 18612 7413 1 11 . 1 1 52 52 LYS N N 52 122.761 122.761 119.501 3.260 18612 7414 1 11 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.452 -0.137 18612 7415 1 11 . 1 1 52 52 LYS CA C 52 56.480 56.480 56.624 -0.144 18612 7416 1 11 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.292 -0.370 18612 7417 1 11 . 1 1 52 52 LYS H H 52 8.251 8.251 8.392 -0.141 18612 7418 1 11 . 1 1 53 53 PHE N N 53 121.326 121.326 121.654 -0.328 18612 7419 1 11 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.647 -0.003 18612 7420 1 11 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.540 0.100 18612 7421 1 11 . 1 1 53 53 PHE CB C 53 39.588 39.588 41.081 -1.493 18612 7422 1 11 . 1 1 53 53 PHE H H 53 8.153 8.153 8.041 0.112 18612 7423 1 11 . 1 1 54 54 VAL N N 54 122.941 122.941 125.218 -2.277 18612 7424 1 11 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.066 -0.023 18612 7425 1 11 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.666 0.314 18612 7426 1 11 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.304 0.877 18612 7427 1 11 . 1 1 54 54 VAL H H 54 7.960 7.960 7.785 0.175 18612 7428 1 11 . 1 1 55 55 LEU N N 55 126.751 126.751 123.177 3.574 18612 7429 1 11 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.164 0.149 18612 7430 1 11 . 1 1 55 55 LEU CA C 55 55.060 55.060 56.824 -1.764 18612 7431 1 11 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.023 0.292 18612 7432 1 11 . 1 1 55 55 LEU H H 55 8.226 8.226 8.231 -0.005 18612 7433 1 11 . 1 1 56 56 LYS N N 56 123.614 123.614 118.281 5.333 18612 7434 1 11 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.415 -0.043 18612 7435 1 11 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.382 0.530 18612 7436 1 11 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.824 -0.633 18612 7437 1 11 . 1 1 56 56 LYS H H 56 8.320 8.320 7.711 0.609 18612 7438 1 11 . 1 1 57 57 THR N N 57 115.794 115.794 120.159 -4.365 18612 7439 1 11 . 1 1 57 57 THR HA H 57 4.349 4.349 4.442 -0.093 18612 7440 1 11 . 1 1 57 57 THR CA C 57 58.960 58.960 60.370 -1.410 18612 7441 1 11 . 1 1 57 57 THR CB C 57 70.740 70.740 68.957 1.783 18612 7442 1 11 . 1 1 57 57 THR H H 57 7.892 7.892 8.195 -0.303 18612 7443 1 11 . 1 1 59 59 LYS N N 59 121.755 121.755 122.561 -0.806 18612 7444 1 11 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.658 -0.431 18612 7445 1 11 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.503 1.017 18612 7446 1 11 . 1 1 59 59 LYS CB C 59 33.094 33.094 34.427 -1.333 18612 7447 1 11 . 1 1 59 59 LYS H H 59 8.300 8.300 8.159 0.141 18612 7448 1 11 . 1 1 60 60 ALA N N 60 125.263 125.263 121.906 3.357 18612 7449 1 11 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.508 -0.230 18612 7450 1 11 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.307 0.556 18612 7451 1 11 . 1 1 60 60 ALA CB C 60 18.980 18.980 18.752 0.228 18612 7452 1 11 . 1 1 60 60 ALA H H 60 8.290 8.290 8.548 -0.258 18612 7453 1 11 . 1 1 61 61 LEU N N 61 121.255 121.255 118.182 3.073 18612 7454 1 11 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.654 -0.374 18612 7455 1 11 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.775 0.810 18612 7456 1 11 . 1 1 61 61 LEU CB C 61 42.245 42.245 43.034 -0.789 18612 7457 1 11 . 1 1 61 61 LEU H H 61 8.144 8.144 7.428 0.716 18612 7458 1 11 . 1 1 62 62 GLU N N 62 121.401 121.401 116.860 4.541 18612 7459 1 11 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.373 -0.097 18612 7460 1 11 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.372 0.558 18612 7461 1 11 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.467 -0.232 18612 7462 1 11 . 1 1 62 62 GLU H H 62 8.266 8.266 8.593 -0.327 18612 7463 1 11 . 1 1 64 64 LYS N N 64 120.575 120.575 124.276 -3.701 18612 7464 1 11 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.345 -0.101 18612 7465 1 11 . 1 1 64 64 LYS CA C 64 56.085 56.085 57.038 -0.954 18612 7466 1 11 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.273 -3.803 18612 7467 1 11 . 1 1 64 64 LYS H H 64 8.106 8.106 8.697 -0.591 18612 7468 1 11 . 1 1 65 65 ILE N N 65 122.492 122.492 117.258 5.234 18612 7469 1 11 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.033 0.107 18612 7470 1 11 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.584 -0.404 18612 7471 1 11 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.204 -0.654 18612 7472 1 11 . 1 1 65 65 ILE H H 65 8.135 8.135 7.781 0.354 18612 7473 1 11 . 1 1 66 66 ARG N N 66 125.714 125.714 121.119 4.595 18612 7474 1 11 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.134 0.334 18612 7475 1 11 . 1 1 66 66 ARG CA C 66 56.067 56.067 57.111 -1.044 18612 7476 1 11 . 1 1 66 66 ARG CB C 66 31.026 31.026 29.771 1.255 18612 7477 1 11 . 1 1 66 66 ARG H H 66 8.402 8.402 8.227 0.175 18612 7478 1 11 . 1 1 67 67 THR N N 67 115.622 115.622 114.606 1.016 18612 7479 1 11 . 1 1 67 67 THR HA H 67 4.445 4.445 4.265 0.180 18612 7480 1 11 . 1 1 67 67 THR CA C 67 61.650 61.650 62.850 -1.200 18612 7481 1 11 . 1 1 67 67 THR CB C 67 69.620 69.620 69.500 0.120 18612 7482 1 11 . 1 1 67 67 THR H H 67 8.281 8.281 8.254 0.027 18612 7483 1 11 . 1 1 68 68 THR N N 68 116.774 116.774 115.984 0.790 18612 7484 1 11 . 1 1 68 68 THR HA H 68 4.503 4.503 4.373 0.130 18612 7485 1 11 . 1 1 68 68 THR CA C 68 61.050 61.050 63.517 -2.467 18612 7486 1 11 . 1 1 68 68 THR CB C 68 69.210 69.210 69.475 -0.265 18612 7487 1 11 . 1 1 68 68 THR H H 68 8.076 8.076 8.594 -0.518 18612 7488 1 11 . 1 1 69 69 GLU N N 69 124.048 124.048 121.530 2.518 18612 7489 1 11 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.457 -0.081 18612 7490 1 11 . 1 1 69 69 GLU CA C 69 56.400 56.400 57.238 -0.838 18612 7491 1 11 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.512 0.106 18612 7492 1 11 . 1 1 69 69 GLU H H 69 8.515 8.515 8.394 0.121 18612 7493 1 11 . 1 1 70 70 THR N N 70 118.988 118.988 112.594 6.394 18612 7494 1 11 . 1 1 70 70 THR HA H 70 3.741 3.741 4.609 -0.868 18612 7495 1 11 . 1 1 70 70 THR CA C 70 64.680 64.680 61.830 2.850 18612 7496 1 11 . 1 1 70 70 THR CB C 70 68.770 68.770 69.600 -0.830 18612 7497 1 11 . 1 1 70 70 THR H H 70 8.259 8.259 7.778 0.481 18612 7498 1 11 . 1 1 71 71 GLN N N 71 125.858 125.858 128.056 -2.198 18612 7499 1 11 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.420 -0.126 18612 7500 1 11 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.891 -0.491 18612 7501 1 11 . 1 1 71 71 GLN CB C 71 32.071 32.071 29.951 2.119 18612 7502 1 11 . 1 1 71 71 GLN H H 71 8.795 8.795 8.764 0.031 18612 7503 1 11 . 1 1 72 72 VAL N N 72 113.505 113.505 109.582 3.923 18612 7504 1 11 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.312 -0.414 18612 7505 1 11 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.623 -0.003 18612 7506 1 11 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.434 -0.030 18612 7507 1 11 . 1 1 72 72 VAL H H 72 7.325 7.325 7.403 -0.078 18612 7508 1 11 . 1 1 73 73 LEU N N 73 128.725 128.725 119.661 9.064 18612 7509 1 11 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.782 0.310 18612 7510 1 11 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.944 -1.204 18612 7511 1 11 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.592 -0.511 18612 7512 1 11 . 1 1 73 73 LEU H H 73 8.170 8.170 7.908 0.262 18612 7513 1 11 . 1 1 74 74 VAL N N 74 127.634 127.634 118.467 9.167 18612 7514 1 11 . 1 1 74 74 VAL HA H 74 4.766 4.766 5.006 -0.240 18612 7515 1 11 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.148 0.943 18612 7516 1 11 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.333 -0.642 18612 7517 1 11 . 1 1 74 74 VAL H H 74 8.913 8.913 8.499 0.414 18612 7518 1 11 . 1 1 75 75 ALA N N 75 132.602 132.602 129.135 3.467 18612 7519 1 11 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.691 0.116 18612 7520 1 11 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.871 0.029 18612 7521 1 11 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.430 1.490 18612 7522 1 11 . 1 1 75 75 ALA H H 75 9.421 9.421 8.901 0.520 18612 7523 1 11 . 1 1 76 76 SER N N 76 111.274 111.274 114.748 -3.474 18612 7524 1 11 . 1 1 76 76 SER HA H 76 4.951 4.951 4.889 0.062 18612 7525 1 11 . 1 1 76 76 SER CA C 76 56.940 56.940 56.740 0.200 18612 7526 1 11 . 1 1 76 76 SER CB C 76 65.960 65.960 65.344 0.616 18612 7527 1 11 . 1 1 76 76 SER H H 76 8.106 8.106 8.208 -0.102 18612 7528 1 11 . 1 1 77 77 ALA N N 77 125.393 125.393 128.849 -3.456 18612 7529 1 11 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.478 -0.017 18612 7530 1 11 . 1 1 77 77 ALA CA C 77 52.754 52.754 53.483 -0.730 18612 7531 1 11 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.203 0.537 18612 7532 1 11 . 1 1 77 77 ALA H H 77 9.004 9.004 8.896 0.108 18612 7533 1 11 . 1 1 78 78 GLN N N 78 116.290 116.290 118.940 -2.650 18612 7534 1 11 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.082 0.361 18612 7535 1 11 . 1 1 78 78 GLN CA C 78 56.630 56.630 56.576 0.054 18612 7536 1 11 . 1 1 78 78 GLN CB C 78 30.553 30.553 28.532 2.021 18612 7537 1 11 . 1 1 78 78 GLN H H 78 7.985 7.985 8.378 -0.393 18612 7538 1 11 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.498 0.065 18612 7539 1 11 . 1 1 81 81 LEU CA C 81 47.000 47.000 55.270 -8.270 18612 7540 1 11 . 1 1 81 81 LEU CB C 81 41.021 41.021 43.630 -2.609 18612 7541 1 11 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.680 0.118 18612 7542 1 11 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.035 -0.129 18612 7543 1 11 . 1 1 85 85 ARG N N 85 119.948 119.948 120.005 -0.057 18612 7544 1 11 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.059 -0.188 18612 7545 1 11 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.155 1.525 18612 7546 1 11 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.801 2.120 18612 7547 1 11 . 1 1 85 85 ARG H H 85 8.229 8.229 7.851 0.378 18612 7548 1 11 . 1 1 86 86 LEU N N 86 120.227 120.227 120.149 0.078 18612 7549 1 11 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.899 -0.073 18612 7550 1 11 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.986 0.204 18612 7551 1 11 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.602 -0.014 18612 7552 1 11 . 1 1 86 86 LEU H H 86 8.459 8.459 8.685 -0.226 18612 7553 1 11 . 1 1 87 87 LYS N N 87 120.470 120.470 119.741 0.729 18612 7554 1 11 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.036 -0.015 18612 7555 1 11 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.434 -0.054 18612 7556 1 11 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.365 0.533 18612 7557 1 11 . 1 1 87 87 LYS H H 87 7.945 7.945 7.863 0.082 18612 7558 1 11 . 1 1 88 88 LEU N N 88 119.799 119.799 120.785 -0.986 18612 7559 1 11 . 1 1 88 88 LEU HA H 88 4.207 4.207 3.997 0.210 18612 7560 1 11 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.840 -1.160 18612 7561 1 11 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.941 -0.716 18612 7562 1 11 . 1 1 88 88 LEU H H 88 7.547 7.547 7.794 -0.247 18612 7563 1 11 . 1 1 89 89 VAL N N 89 118.828 118.828 118.433 0.395 18612 7564 1 11 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.592 -0.274 18612 7565 1 11 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.542 1.208 18612 7566 1 11 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.073 0.305 18612 7567 1 11 . 1 1 89 89 VAL H H 89 8.347 8.347 8.612 -0.265 18612 7568 1 11 . 1 1 90 90 SER N N 90 114.835 114.835 116.208 -1.373 18612 7569 1 11 . 1 1 90 90 SER HA H 90 4.207 4.207 4.202 0.005 18612 7570 1 11 . 1 1 90 90 SER CA C 90 62.000 62.000 62.045 -0.045 18612 7571 1 11 . 1 1 90 90 SER CB C 90 62.770 62.770 62.871 -0.101 18612 7572 1 11 . 1 1 90 90 SER H H 90 7.942 7.942 7.860 0.082 18612 7573 1 11 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.088 -0.045 18612 7574 1 11 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.520 -0.080 18612 7575 1 11 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.423 0.811 18612 7576 1 11 . 1 1 92 92 LEU N N 92 119.720 119.720 119.538 0.182 18612 7577 1 11 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.971 -0.023 18612 7578 1 11 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.901 0.219 18612 7579 1 11 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.541 -0.965 18612 7580 1 11 . 1 1 92 92 LEU H H 92 8.379 8.379 8.116 0.263 18612 7581 1 11 . 1 1 93 93 GLN N N 93 120.938 120.938 119.594 1.344 18612 7582 1 11 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.371 0.182 18612 7583 1 11 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.945 0.105 18612 7584 1 11 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.376 -0.396 18612 7585 1 11 . 1 1 93 93 GLN H H 93 8.751 8.751 8.523 0.228 18612 7586 1 11 . 1 1 94 94 ASP N N 94 122.442 122.442 119.822 2.620 18612 7587 1 11 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.488 -0.029 18612 7588 1 11 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.414 0.686 18612 7589 1 11 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.188 -0.927 18612 7590 1 11 . 1 1 94 94 ASP H H 94 8.470 8.470 8.044 0.426 18612 7591 1 11 . 1 1 95 95 ALA N N 95 120.437 120.437 120.125 0.312 18612 7592 1 11 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.394 0.118 18612 7593 1 11 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.116 -1.371 18612 7594 1 11 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.797 0.223 18612 7595 1 11 . 1 1 95 95 ALA H H 95 7.340 7.340 7.936 -0.596 18612 7596 1 11 . 1 1 96 96 GLY N N 96 106.865 106.865 109.091 -2.226 18612 7597 1 11 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.851 0.439 18612 7598 1 11 . 1 1 96 96 GLY H H 96 7.987 7.987 7.766 0.221 18612 7599 1 11 . 1 1 97 97 ILE N N 97 122.489 122.489 117.839 4.650 18612 7600 1 11 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.233 0.021 18612 7601 1 11 . 1 1 97 97 ILE CA C 97 58.650 58.650 59.548 -0.898 18612 7602 1 11 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.638 -0.665 18612 7603 1 11 . 1 1 97 97 ILE H H 97 8.062 8.062 7.430 0.632 18612 7604 1 11 . 1 1 98 98 LYS N N 98 127.459 127.459 124.206 3.253 18612 7605 1 11 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.393 0.114 18612 7606 1 11 . 1 1 98 98 LYS CA C 98 55.921 55.921 54.904 1.017 18612 7607 1 11 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.373 -0.939 18612 7608 1 11 . 1 1 98 98 LYS H H 98 8.574 8.574 8.274 0.300 18612 7609 1 11 . 1 1 99 99 ALA N N 99 130.423 130.423 129.519 0.904 18612 7610 1 11 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.136 0.628 18612 7611 1 11 . 1 1 99 99 ALA CA C 99 49.211 49.211 51.322 -2.111 18612 7612 1 11 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.250 4.620 18612 7613 1 11 . 1 1 99 99 ALA H H 99 7.813 7.813 8.371 -0.558 18612 7614 1 11 . 1 1 100 100 GLU N N 100 118.988 118.988 123.460 -4.472 18612 7615 1 11 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.735 0.100 18612 7616 1 11 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.993 -0.287 18612 7617 1 11 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.280 2.641 18612 7618 1 11 . 1 1 100 100 GLU H H 100 8.226 8.226 8.556 -0.330 18612 7619 1 11 . 1 1 101 101 LEU N N 101 120.024 120.024 120.155 -0.131 18612 7620 1 11 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.624 0.090 18612 7621 1 11 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.828 0.932 18612 7622 1 11 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.704 0.380 18612 7623 1 11 . 1 1 101 101 LEU H H 101 8.478 8.478 8.196 0.282 18612 7624 1 11 . 1 1 102 102 LEU N N 102 118.623 118.623 120.411 -1.788 18612 7625 1 11 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.389 -0.355 18612 7626 1 11 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.369 4.091 18612 7627 1 11 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.478 -4.253 18612 7628 1 11 . 1 1 102 102 LEU H H 102 8.763 8.763 7.505 1.258 18612 7629 1 11 . 1 1 103 103 TYR N N 103 115.970 115.970 117.379 -1.409 18612 7630 1 11 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.634 -0.052 18612 7631 1 11 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.253 -1.280 18612 7632 1 11 . 1 1 103 103 TYR CB C 103 38.732 38.732 39.546 -0.814 18612 7633 1 11 . 1 1 103 103 TYR H H 103 7.378 7.378 8.361 -0.983 18612 7634 1 11 . 1 1 104 104 LYS N N 104 120.577 120.577 120.256 0.321 18612 7635 1 11 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.288 -0.149 18612 7636 1 11 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.055 0.425 18612 7637 1 11 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.523 -0.601 18612 7638 1 11 . 1 1 104 104 LYS H H 104 7.906 7.906 7.748 0.158 18612 7639 1 11 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.019 0.010 18612 7640 1 11 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.025 -0.026 18612 7641 1 11 . 1 1 113 113 LEU N N 113 120.147 120.147 119.690 0.457 18612 7642 1 11 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.228 -0.245 18612 7643 1 11 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.362 1.058 18612 7644 1 11 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.563 -0.971 18612 7645 1 11 . 1 1 113 113 LEU H H 113 8.365 8.365 8.457 -0.092 18612 7646 1 11 . 1 1 114 114 GLN N N 114 119.995 119.995 118.309 1.686 18612 7647 1 11 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.985 0.052 18612 7648 1 11 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.412 -0.442 18612 7649 1 11 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.605 -0.415 18612 7650 1 11 . 1 1 114 114 GLN H H 114 8.126 8.126 7.971 0.155 18612 7651 1 11 . 1 1 115 115 TYR N N 115 120.358 120.358 118.424 1.934 18612 7652 1 11 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.255 0.040 18612 7653 1 11 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.190 -0.160 18612 7654 1 11 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.178 -0.409 18612 7655 1 11 . 1 1 115 115 TYR H H 115 7.819 7.819 8.119 -0.300 18612 7656 1 11 . 1 1 116 116 CYS N N 116 116.264 116.264 118.954 -2.690 18612 7657 1 11 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.976 -0.160 18612 7658 1 11 . 1 1 116 116 CYS CA C 116 64.230 64.230 63.010 1.220 18612 7659 1 11 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.379 -0.059 18612 7660 1 11 . 1 1 116 116 CYS H H 116 7.710 7.710 8.040 -0.330 18612 7661 1 11 . 1 1 117 117 GLU N N 117 119.526 119.526 118.909 0.617 18612 7662 1 11 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.148 -0.300 18612 7663 1 11 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.256 -0.106 18612 7664 1 11 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.667 0.033 18612 7665 1 11 . 1 1 117 117 GLU H H 117 7.912 7.912 8.292 -0.380 18612 7666 1 11 . 1 1 118 118 GLU N N 118 119.875 119.875 119.048 0.827 18612 7667 1 11 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.170 -0.201 18612 7668 1 11 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.264 0.516 18612 7669 1 11 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.523 0.287 18612 7670 1 11 . 1 1 118 118 GLU H H 118 7.988 7.988 7.791 0.197 18612 7671 1 11 . 1 1 119 119 ALA N N 119 119.118 119.118 119.260 -0.142 18612 7672 1 11 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.177 -0.011 18612 7673 1 11 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.826 -1.172 18612 7674 1 11 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.771 -0.691 18612 7675 1 11 . 1 1 119 119 ALA H H 119 8.137 8.137 7.451 0.686 18612 7676 1 11 . 1 1 120 120 GLY N N 120 106.604 106.604 104.891 1.713 18612 7677 1 11 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.145 2.232 18612 7678 1 11 . 1 1 120 120 GLY H H 120 7.550 7.550 7.848 -0.298 18612 7679 1 11 . 1 1 121 121 ILE N N 121 124.026 124.026 110.651 13.375 18612 7680 1 11 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.451 -0.440 18612 7681 1 11 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.066 0.984 18612 7682 1 11 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.530 3.521 18612 7683 1 11 . 1 1 121 121 ILE H H 121 7.918 7.918 8.326 -0.408 18612 7684 1 11 . 1 1 123 123 LEU N N 123 119.541 119.541 115.991 3.550 18612 7685 1 11 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.214 0.289 18612 7686 1 11 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.252 0.434 18612 7687 1 11 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.301 0.756 18612 7688 1 11 . 1 1 123 123 LEU H H 123 6.973 6.973 7.837 -0.864 18612 7689 1 11 . 1 1 124 124 VAL N N 124 119.580 119.580 120.861 -1.281 18612 7690 1 11 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.664 0.372 18612 7691 1 11 . 1 1 124 124 VAL CA C 124 59.580 59.580 61.810 -2.230 18612 7692 1 11 . 1 1 124 124 VAL CB C 124 35.257 35.257 35.847 -0.590 18612 7693 1 11 . 1 1 124 124 VAL H H 124 8.823 8.823 8.419 0.404 18612 7694 1 11 . 1 1 125 125 ALA N N 125 130.810 130.810 130.932 -0.122 18612 7695 1 11 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.963 0.193 18612 7696 1 11 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.640 -1.445 18612 7697 1 11 . 1 1 125 125 ALA CB C 125 20.060 20.060 19.976 0.084 18612 7698 1 11 . 1 1 125 125 ALA H H 125 9.083 9.083 8.990 0.093 18612 7699 1 11 . 1 1 126 126 ILE N N 126 124.925 124.925 126.420 -1.495 18612 7700 1 11 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.207 -0.704 18612 7701 1 11 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.096 0.864 18612 7702 1 11 . 1 1 126 126 ILE CB C 126 39.805 39.805 40.841 -1.036 18612 7703 1 11 . 1 1 126 126 ILE H H 126 9.564 9.564 8.479 1.085 18612 7704 1 11 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.668 -0.025 18612 7705 1 11 . 1 1 127 127 ILE CA C 127 59.440 59.440 58.947 0.493 18612 7706 1 11 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.879 0.123 18612 7707 1 11 . 1 1 129 129 GLU N N 129 121.547 121.547 116.126 5.421 18612 7708 1 11 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.315 -0.367 18612 7709 1 11 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.512 2.888 18612 7710 1 11 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.679 0.623 18612 7711 1 11 . 1 1 129 129 GLU H H 129 9.035 9.035 8.412 0.623 18612 7712 1 11 . 1 1 130 130 GLN N N 130 120.221 120.221 119.952 0.269 18612 7713 1 11 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.109 -0.232 18612 7714 1 11 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.567 -1.147 18612 7715 1 11 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.636 -0.236 18612 7716 1 11 . 1 1 130 130 GLN H H 130 8.914 8.914 8.522 0.392 18612 7717 1 11 . 1 1 131 131 GLU N N 131 120.680 120.680 119.264 1.416 18612 7718 1 11 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.239 -0.300 18612 7719 1 11 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.617 2.593 18612 7720 1 11 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.937 -0.767 18612 7721 1 11 . 1 1 131 131 GLU H H 131 8.871 8.871 8.556 0.315 18612 7722 1 11 . 1 1 132 132 LEU N N 132 118.303 118.303 121.227 -2.924 18612 7723 1 11 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.350 0.012 18612 7724 1 11 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.100 -1.984 18612 7725 1 11 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.628 0.195 18612 7726 1 11 . 1 1 132 132 LEU H H 132 8.152 8.152 7.912 0.240 18612 7727 1 11 . 1 1 133 133 LYS N N 133 120.924 120.924 117.066 3.858 18612 7728 1 11 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.187 -0.106 18612 7729 1 11 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.291 1.289 18612 7730 1 11 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.892 -0.420 18612 7731 1 11 . 1 1 133 133 LYS H H 133 7.631 7.631 7.701 -0.070 18612 7732 1 11 . 1 1 134 134 ASP N N 134 118.256 118.256 117.490 0.766 18612 7733 1 11 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.593 0.076 18612 7734 1 11 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.953 -0.802 18612 7735 1 11 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.879 -0.498 18612 7736 1 11 . 1 1 134 134 ASP H H 134 7.985 7.985 7.969 0.016 18612 7737 1 11 . 1 1 135 135 GLY N N 135 109.383 109.383 106.448 2.935 18612 7738 1 11 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.289 1.274 18612 7739 1 11 . 1 1 135 135 GLY H H 135 8.019 8.019 8.022 -0.003 18612 7740 1 11 . 1 1 136 136 VAL N N 136 117.112 117.112 119.716 -2.604 18612 7741 1 11 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.352 0.551 18612 7742 1 11 . 1 1 136 136 VAL CA C 136 59.950 59.950 60.849 -0.899 18612 7743 1 11 . 1 1 136 136 VAL CB C 136 35.885 35.885 35.363 0.522 18612 7744 1 11 . 1 1 136 136 VAL H H 136 8.229 8.229 8.098 0.131 18612 7745 1 11 . 1 1 137 137 ILE N N 137 121.971 121.971 122.515 -0.544 18612 7746 1 11 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.461 -0.287 18612 7747 1 11 . 1 1 137 137 ILE CA C 137 58.560 58.560 58.948 -0.388 18612 7748 1 11 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.054 0.735 18612 7749 1 11 . 1 1 137 137 ILE H H 137 8.975 8.975 8.928 0.047 18612 7750 1 11 . 1 1 138 138 LYS N N 138 126.613 126.613 121.908 4.705 18612 7751 1 11 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.872 0.052 18612 7752 1 11 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.189 0.526 18612 7753 1 11 . 1 1 138 138 LYS CB C 138 33.217 33.217 36.738 -3.521 18612 7754 1 11 . 1 1 138 138 LYS H H 138 7.726 7.726 8.397 -0.671 18612 7755 1 11 . 1 1 139 139 LEU N N 139 129.177 129.177 122.251 6.926 18612 7756 1 11 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.849 0.354 18612 7757 1 11 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.131 0.159 18612 7758 1 11 . 1 1 139 139 LEU CB C 139 44.760 44.760 47.146 -2.386 18612 7759 1 11 . 1 1 139 139 LEU H H 139 9.404 9.404 9.085 0.319 18612 7760 1 11 . 1 1 140 140 ARG N N 140 128.243 128.243 121.751 6.492 18612 7761 1 11 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.809 0.453 18612 7762 1 11 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.365 -1.680 18612 7763 1 11 . 1 1 140 140 ARG CB C 140 27.990 27.990 32.276 -4.286 18612 7764 1 11 . 1 1 140 140 ARG H H 140 9.540 9.540 8.752 0.788 18612 7765 1 11 . 1 1 142 142 VAL N N 142 129.670 129.670 121.728 7.942 18612 7766 1 11 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.757 -0.210 18612 7767 1 11 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.126 0.824 18612 7768 1 11 . 1 1 142 142 VAL CB C 142 32.688 32.688 30.575 2.113 18612 7769 1 11 . 1 1 142 142 VAL H H 142 8.336 8.336 7.956 0.380 18612 7770 1 11 . 1 1 143 143 THR N N 143 111.061 111.061 113.658 -2.597 18612 7771 1 11 . 1 1 143 143 THR HA H 143 4.157 4.157 4.222 -0.065 18612 7772 1 11 . 1 1 143 143 THR CA C 143 69.400 69.400 64.424 4.976 18612 7773 1 11 . 1 1 143 143 THR CB C 143 70.020 70.020 68.745 1.275 18612 7774 1 11 . 1 1 143 143 THR H H 143 8.248 8.248 7.767 0.481 18612 7775 1 11 . 1 1 144 144 SER N N 144 115.158 115.158 116.264 -1.106 18612 7776 1 11 . 1 1 144 144 SER HA H 144 4.514 4.514 4.412 0.102 18612 7777 1 11 . 1 1 144 144 SER CA C 144 58.370 58.370 60.642 -2.272 18612 7778 1 11 . 1 1 144 144 SER CB C 144 64.500 64.500 63.662 0.838 18612 7779 1 11 . 1 1 144 144 SER H H 144 7.812 7.812 8.162 -0.350 18612 7780 1 11 . 1 1 145 145 ARG N N 145 116.527 116.527 119.214 -2.687 18612 7781 1 11 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.610 -0.784 18612 7782 1 11 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.525 1.775 18612 7783 1 11 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.400 -4.199 18612 7784 1 11 . 1 1 145 145 ARG H H 145 7.836 7.836 8.027 -0.191 18612 7785 1 11 . 1 1 146 146 GLU N N 146 119.889 119.889 116.037 3.852 18612 7786 1 11 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.339 -0.070 18612 7787 1 11 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.234 -0.304 18612 7788 1 11 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.062 0.576 18612 7789 1 11 . 1 1 146 146 GLU H H 146 7.675 7.675 8.304 -0.629 18612 7790 1 11 . 1 1 147 147 GLU N N 147 124.286 124.286 120.059 4.227 18612 7791 1 11 . 1 1 147 147 GLU HA H 147 5.319 5.319 5.110 0.209 18612 7792 1 11 . 1 1 147 147 GLU CA C 147 54.935 54.935 54.701 0.234 18612 7793 1 11 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.182 0.558 18612 7794 1 11 . 1 1 147 147 GLU H H 147 8.602 8.602 8.116 0.486 18612 7795 1 11 . 1 1 148 148 VAL N N 148 120.587 120.587 120.013 0.574 18612 7796 1 11 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.316 0.218 18612 7797 1 11 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.297 -0.638 18612 7798 1 11 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.052 -0.362 18612 7799 1 11 . 1 1 148 148 VAL H H 148 8.536 8.536 8.878 -0.342 18612 7800 1 11 . 1 1 149 149 ASP N N 149 125.031 125.031 125.342 -0.311 18612 7801 1 11 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.010 0.144 18612 7802 1 11 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.756 0.157 18612 7803 1 11 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.836 -2.055 18612 7804 1 11 . 1 1 149 149 ASP H H 149 8.411 8.411 8.265 0.146 18612 7805 1 11 . 1 1 150 150 VAL N N 150 123.264 123.264 118.084 5.180 18612 7806 1 11 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.641 -0.241 18612 7807 1 11 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.850 -0.210 18612 7808 1 11 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.172 -0.147 18612 7809 1 11 . 1 1 150 150 VAL H H 150 9.061 9.061 8.621 0.440 18612 7810 1 11 . 1 1 151 151 ARG N N 151 125.112 125.112 119.502 5.610 18612 7811 1 11 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.612 -0.204 18612 7812 1 11 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.095 2.015 18612 7813 1 11 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.300 -0.410 18612 7814 1 11 . 1 1 151 151 ARG H H 151 9.048 9.048 8.736 0.312 18612 7815 1 11 . 1 1 152 152 ARG N N 152 124.828 124.828 117.966 6.862 18612 7816 1 11 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.882 -0.216 18612 7817 1 11 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.362 0.668 18612 7818 1 11 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.351 1.659 18612 7819 1 11 . 1 1 152 152 ARG H H 152 8.582 8.582 8.726 -0.144 18612 7820 1 11 . 1 1 153 153 GLU N N 153 116.730 116.730 118.732 -2.002 18612 7821 1 11 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.287 -0.087 18612 7822 1 11 . 1 1 153 153 GLU CA C 153 58.970 58.970 58.906 0.064 18612 7823 1 11 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.367 -0.787 18612 7824 1 11 . 1 1 153 153 GLU H H 153 9.924 9.924 8.365 1.559 18612 7825 1 11 . 1 1 154 154 ASP N N 154 119.318 119.318 118.451 0.867 18612 7826 1 11 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.472 0.546 18612 7827 1 11 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.505 -3.113 18612 7828 1 11 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.422 1.868 18612 7829 1 11 . 1 1 154 154 ASP H H 154 7.758 7.758 8.654 -0.896 18612 7830 1 11 . 1 1 155 155 LEU N N 155 121.863 121.863 117.720 4.143 18612 7831 1 11 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.282 -0.467 18612 7832 1 11 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.770 1.400 18612 7833 1 11 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.515 1.113 18612 7834 1 11 . 1 1 155 155 LEU H H 155 7.315 7.315 7.747 -0.432 18612 7835 1 11 . 1 1 156 156 VAL N N 156 118.555 118.555 120.530 -1.975 18612 7836 1 11 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.518 -0.263 18612 7837 1 11 . 1 1 156 156 VAL CA C 156 67.660 67.660 67.228 0.432 18612 7838 1 11 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.391 -0.161 18612 7839 1 11 . 1 1 156 156 VAL H H 156 8.490 8.490 7.757 0.733 18612 7840 1 11 . 1 1 157 157 GLU N N 157 118.568 118.568 119.518 -0.950 18612 7841 1 11 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.011 -0.101 18612 7842 1 11 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.716 -0.296 18612 7843 1 11 . 1 1 157 157 GLU H H 157 8.138 8.138 7.898 0.240 18612 7844 1 11 . 1 1 158 158 GLU N N 158 118.484 118.484 120.045 -1.561 18612 7845 1 11 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.076 0.064 18612 7846 1 11 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.406 -2.116 18612 7847 1 11 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.845 -0.371 18612 7848 1 11 . 1 1 158 158 GLU H H 158 8.138 8.138 7.731 0.407 18612 7849 1 11 . 1 1 159 159 ILE N N 159 119.508 119.508 117.302 2.206 18612 7850 1 11 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.723 -0.295 18612 7851 1 11 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.278 0.611 18612 7852 1 11 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.544 -7.544 18612 7853 1 11 . 1 1 159 159 ILE H H 159 8.482 8.482 8.616 -0.134 18612 7854 1 11 . 1 1 160 160 LYS N N 160 121.513 121.513 120.682 0.831 18612 7855 1 11 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.206 -0.428 18612 7856 1 11 . 1 1 160 160 LYS CA C 160 60.850 60.850 58.388 2.462 18612 7857 1 11 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.056 0.194 18612 7858 1 11 . 1 1 160 160 LYS H H 160 8.424 8.424 7.823 0.601 18612 7859 1 11 . 1 1 161 161 ARG N N 161 118.966 118.966 117.971 0.995 18612 7860 1 11 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.082 -0.013 18612 7861 1 11 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.516 0.814 18612 7862 1 11 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.290 0.602 18612 7863 1 11 . 1 1 161 161 ARG H H 161 8.248 8.248 8.232 0.016 18612 7864 1 11 . 1 1 162 162 ARG N N 162 117.033 117.033 117.331 -0.298 18612 7865 1 11 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.136 0.106 18612 7866 1 11 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.574 -0.516 18612 7867 1 11 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.704 1.086 18612 7868 1 11 . 1 1 162 162 ARG H H 162 7.811 7.811 8.224 -0.413 18612 7869 1 11 . 1 1 163 163 THR N N 163 108.588 108.588 111.858 -3.270 18612 7870 1 11 . 1 1 163 163 THR HA H 163 4.549 4.549 4.204 0.345 18612 7871 1 11 . 1 1 163 163 THR CA C 163 61.820 61.820 64.437 -2.617 18612 7872 1 11 . 1 1 163 163 THR CB C 163 70.020 70.020 69.087 0.933 18612 7873 1 11 . 1 1 163 163 THR H H 163 7.831 7.831 7.775 0.056 18612 7874 1 11 . 1 1 164 164 GLY N N 164 110.640 110.640 109.892 0.748 18612 7875 1 11 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.126 1.587 18612 7876 1 11 . 1 1 164 164 GLY H H 164 7.847 7.847 7.554 0.293 18612 7877 1 11 . 1 1 165 165 GLN N N 165 120.993 120.993 121.085 -0.092 18612 7878 1 11 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.618 -0.676 18612 7879 1 11 . 1 1 165 165 GLN CA C 165 56.077 56.077 52.993 3.084 18612 7880 1 11 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.554 0.015 18612 7881 1 11 . 1 1 165 165 GLN H H 165 8.141 8.141 8.396 -0.255 18612 7882 1 11 . 1 1 167 167 LEU N N 167 122.540 122.540 115.824 6.716 18612 7883 1 11 . 1 1 167 167 LEU H H 167 8.370 8.370 7.508 0.862 18612 7884 1 11 . 1 1 168 168 SER N N 168 116.635 116.635 117.316 -0.681 18612 7885 1 11 . 1 1 168 168 SER H H 168 8.269 8.269 8.368 -0.099 18612 7886 1 11 . 1 1 169 169 ILE N N 169 122.767 122.767 127.598 -4.831 18612 7887 1 11 . 1 1 169 169 ILE H H 169 8.165 8.165 8.621 -0.456 18612 7888 1 12 . 1 1 2 2 GLU N N 2 120.329 120.329 121.465 -1.136 18612 7889 1 12 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.438 -0.296 18612 7890 1 12 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.373 2.697 18612 7891 1 12 . 1 1 2 2 GLU CB C 2 29.500 29.500 31.048 -1.548 18612 7892 1 12 . 1 1 2 2 GLU H H 2 8.498 8.498 8.539 -0.041 18612 7893 1 12 . 1 1 3 3 ARG N N 3 121.547 121.547 121.468 0.079 18612 7894 1 12 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.109 -0.085 18612 7895 1 12 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.944 0.296 18612 7896 1 12 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.999 -0.049 18612 7897 1 12 . 1 1 3 3 ARG H H 3 8.238 8.238 8.489 -0.251 18612 7898 1 12 . 1 1 4 4 ALA N N 4 121.449 121.449 122.188 -0.739 18612 7899 1 12 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.041 0.162 18612 7900 1 12 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.218 -0.179 18612 7901 1 12 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.929 -0.019 18612 7902 1 12 . 1 1 4 4 ALA H H 4 8.068 8.068 8.419 -0.351 18612 7903 1 12 . 1 1 5 5 ALA N N 5 121.000 121.000 120.365 0.635 18612 7904 1 12 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.171 0.047 18612 7905 1 12 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.541 0.202 18612 7906 1 12 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.134 0.276 18612 7907 1 12 . 1 1 5 5 ALA H H 5 7.831 7.831 8.227 -0.396 18612 7908 1 12 . 1 1 6 6 LEU N N 6 121.402 121.402 120.211 1.191 18612 7909 1 12 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.918 0.243 18612 7910 1 12 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.172 -0.223 18612 7911 1 12 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.741 0.300 18612 7912 1 12 . 1 1 6 6 LEU H H 6 7.919 7.919 8.052 -0.133 18612 7913 1 12 . 1 1 7 7 GLU N N 7 119.203 119.203 118.347 0.856 18612 7914 1 12 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.853 0.005 18612 7915 1 12 . 1 1 7 7 GLU CA C 7 60.230 60.230 59.858 0.372 18612 7916 1 12 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.301 0.239 18612 7917 1 12 . 1 1 7 7 GLU H H 7 8.706 8.706 8.586 0.120 18612 7918 1 12 . 1 1 8 8 GLU N N 8 120.194 120.194 119.697 0.497 18612 7919 1 12 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.110 0.085 18612 7920 1 12 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.744 0.426 18612 7921 1 12 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.266 0.194 18612 7922 1 12 . 1 1 8 8 GLU H H 8 7.761 7.761 7.803 -0.042 18612 7923 1 12 . 1 1 9 9 LEU N N 9 120.526 120.526 120.107 0.419 18612 7924 1 12 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.065 0.099 18612 7925 1 12 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.200 -0.080 18612 7926 1 12 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.804 -0.016 18612 7927 1 12 . 1 1 9 9 LEU H H 9 7.913 7.913 8.112 -0.199 18612 7928 1 12 . 1 1 10 10 VAL N N 10 120.804 120.804 119.675 1.129 18612 7929 1 12 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.476 -0.019 18612 7930 1 12 . 1 1 10 10 VAL CA C 10 67.030 67.030 67.058 -0.028 18612 7931 1 12 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.143 0.904 18612 7932 1 12 . 1 1 10 10 VAL H H 10 8.570 8.570 7.946 0.624 18612 7933 1 12 . 1 1 11 11 LYS N N 11 123.175 123.175 120.471 2.704 18612 7934 1 12 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.962 0.082 18612 7935 1 12 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.035 -0.165 18612 7936 1 12 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.303 0.089 18612 7937 1 12 . 1 1 11 11 LYS H H 11 7.909 7.909 7.617 0.292 18612 7938 1 12 . 1 1 12 12 LEU N N 12 120.772 120.772 117.354 3.418 18612 7939 1 12 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.095 0.011 18612 7940 1 12 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.220 0.700 18612 7941 1 12 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.647 0.190 18612 7942 1 12 . 1 1 12 12 LEU H H 12 8.436 8.436 7.809 0.627 18612 7943 1 12 . 1 1 13 13 GLN N N 13 121.677 121.677 119.968 1.709 18612 7944 1 12 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.022 0.312 18612 7945 1 12 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.111 -1.710 18612 7946 1 12 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.149 -1.629 18612 7947 1 12 . 1 1 13 13 GLN H H 13 8.710 8.710 8.031 0.679 18612 7948 1 12 . 1 1 14 14 GLY N N 14 109.543 109.543 107.254 2.289 18612 7949 1 12 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.142 0.422 18612 7950 1 12 . 1 1 14 14 GLY H H 14 8.714 8.714 8.803 -0.089 18612 7951 1 12 . 1 1 15 15 GLU N N 15 123.144 123.144 121.227 1.917 18612 7952 1 12 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.038 0.110 18612 7953 1 12 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.178 -0.208 18612 7954 1 12 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.504 -0.044 18612 7955 1 12 . 1 1 15 15 GLU H H 15 7.913 7.913 7.935 -0.022 18612 7956 1 12 . 1 1 16 16 ARG N N 16 123.135 123.135 120.611 2.524 18612 7957 1 12 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.127 0.011 18612 7958 1 12 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.413 -0.443 18612 7959 1 12 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.328 -0.928 18612 7960 1 12 . 1 1 16 16 ARG H H 16 8.104 8.104 7.637 0.467 18612 7961 1 12 . 1 1 17 17 VAL N N 17 119.501 119.501 119.675 -0.174 18612 7962 1 12 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.695 -0.282 18612 7963 1 12 . 1 1 17 17 VAL CA C 17 67.450 67.450 65.848 1.602 18612 7964 1 12 . 1 1 17 17 VAL CB C 17 32.058 32.058 30.919 1.139 18612 7965 1 12 . 1 1 17 17 VAL H H 17 8.192 8.192 8.607 -0.415 18612 7966 1 12 . 1 1 18 18 ARG N N 18 119.372 119.372 119.564 -0.192 18612 7967 1 12 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.069 -0.135 18612 7968 1 12 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.827 0.233 18612 7969 1 12 . 1 1 18 18 ARG CB C 18 30.272 30.272 30.019 0.253 18612 7970 1 12 . 1 1 18 18 ARG H H 18 7.980 7.980 8.018 -0.038 18612 7971 1 12 . 1 1 19 19 GLY N N 19 107.241 107.241 107.349 -0.108 18612 7972 1 12 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.922 0.440 18612 7973 1 12 . 1 1 19 19 GLY H H 19 8.362 8.362 7.959 0.403 18612 7974 1 12 . 1 1 20 20 LEU N N 20 122.627 122.627 120.605 2.022 18612 7975 1 12 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.421 -0.372 18612 7976 1 12 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.362 0.528 18612 7977 1 12 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.975 0.445 18612 7978 1 12 . 1 1 20 20 LEU H H 20 8.049 8.049 8.380 -0.331 18612 7979 1 12 . 1 1 21 21 LYS N N 21 118.255 118.255 120.689 -2.434 18612 7980 1 12 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.842 0.216 18612 7981 1 12 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.797 0.213 18612 7982 1 12 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.451 0.143 18612 7983 1 12 . 1 1 21 21 LYS H H 21 8.123 8.123 8.499 -0.376 18612 7984 1 12 . 1 1 22 22 GLN N N 22 121.183 121.183 116.285 4.898 18612 7985 1 12 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.202 -0.115 18612 7986 1 12 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.223 0.537 18612 7987 1 12 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.462 0.138 18612 7988 1 12 . 1 1 22 22 GLN H H 22 8.234 8.234 7.770 0.464 18612 7989 1 12 . 1 1 23 23 GLN N N 23 116.219 116.219 119.837 -3.618 18612 7990 1 12 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.284 -0.021 18612 7991 1 12 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.114 -1.436 18612 7992 1 12 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.695 -0.425 18612 7993 1 12 . 1 1 23 23 GLN H H 23 7.820 7.820 7.869 -0.049 18612 7994 1 12 . 1 1 24 24 LYS N N 24 117.349 117.349 116.640 0.709 18612 7995 1 12 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.512 -0.600 18612 7996 1 12 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.675 1.355 18612 7997 1 12 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.578 -4.728 18612 7998 1 12 . 1 1 24 24 LYS H H 24 7.884 7.884 8.068 -0.184 18612 7999 1 12 . 1 1 25 25 ALA N N 25 119.909 119.909 123.620 -3.711 18612 8000 1 12 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.160 0.119 18612 8001 1 12 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.773 -1.753 18612 8002 1 12 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.260 3.060 18612 8003 1 12 . 1 1 25 25 ALA H H 25 7.620 7.620 7.970 -0.350 18612 8004 1 12 . 1 1 26 26 SER N N 26 113.188 113.188 115.015 -1.827 18612 8005 1 12 . 1 1 26 26 SER HA H 26 4.244 4.244 4.225 0.019 18612 8006 1 12 . 1 1 26 26 SER CA C 26 58.390 58.390 58.983 -0.593 18612 8007 1 12 . 1 1 26 26 SER CB C 26 63.830 63.830 63.097 0.733 18612 8008 1 12 . 1 1 26 26 SER H H 26 8.228 8.228 8.312 -0.084 18612 8009 1 12 . 1 1 27 27 ALA N N 27 127.550 127.550 123.449 4.101 18612 8010 1 12 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.945 0.039 18612 8011 1 12 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.122 1.460 18612 8012 1 12 . 1 1 27 27 ALA CB C 27 18.770 18.770 16.735 2.034 18612 8013 1 12 . 1 1 27 27 ALA H H 27 8.769 8.769 8.389 0.380 18612 8014 1 12 . 1 1 28 28 GLU N N 28 117.317 117.317 120.242 -2.925 18612 8015 1 12 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.168 -0.094 18612 8016 1 12 . 1 1 28 28 GLU CA C 28 59.700 59.700 58.848 0.852 18612 8017 1 12 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.712 -0.632 18612 8018 1 12 . 1 1 28 28 GLU H H 28 8.830 8.830 8.266 0.564 18612 8019 1 12 . 1 1 29 29 LEU N N 29 122.971 122.971 120.222 2.749 18612 8020 1 12 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.198 0.113 18612 8021 1 12 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.837 -0.267 18612 8022 1 12 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.440 0.165 18612 8023 1 12 . 1 1 29 29 LEU H H 29 7.401 7.401 7.913 -0.512 18612 8024 1 12 . 1 1 30 30 ILE N N 30 118.784 118.784 118.533 0.251 18612 8025 1 12 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.915 -0.518 18612 8026 1 12 . 1 1 30 30 ILE CA C 30 66.310 66.310 64.752 1.558 18612 8027 1 12 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.534 0.289 18612 8028 1 12 . 1 1 30 30 ILE H H 30 8.019 8.019 7.941 0.078 18612 8029 1 12 . 1 1 31 31 GLU N N 31 118.215 118.215 120.348 -2.133 18612 8030 1 12 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.999 -0.031 18612 8031 1 12 . 1 1 31 31 GLU CA C 31 59.840 59.840 60.190 -0.350 18612 8032 1 12 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.429 0.011 18612 8033 1 12 . 1 1 31 31 GLU H H 31 8.367 8.367 8.257 0.110 18612 8034 1 12 . 1 1 32 32 GLU N N 32 120.284 120.284 119.140 1.144 18612 8035 1 12 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.102 0.052 18612 8036 1 12 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.548 -0.168 18612 8037 1 12 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.740 0.100 18612 8038 1 12 . 1 1 32 32 GLU H H 32 7.667 7.667 7.824 -0.157 18612 8039 1 12 . 1 1 33 33 GLU N N 33 120.010 120.010 119.397 0.613 18612 8040 1 12 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.096 0.122 18612 8041 1 12 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.413 -1.033 18612 8042 1 12 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.746 -1.566 18612 8043 1 12 . 1 1 33 33 GLU H H 33 8.156 8.156 8.315 -0.159 18612 8044 1 12 . 1 1 34 34 VAL N N 34 125.322 125.322 117.322 8.000 18612 8045 1 12 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.784 -0.142 18612 8046 1 12 . 1 1 34 34 VAL CA C 34 66.850 66.850 65.978 0.871 18612 8047 1 12 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.624 1.216 18612 8048 1 12 . 1 1 34 34 VAL H H 34 9.243 9.243 8.162 1.081 18612 8049 1 12 . 1 1 35 35 ALA N N 35 123.214 123.214 123.291 -0.077 18612 8050 1 12 . 1 1 35 35 ALA HA H 35 4.098 4.098 4.001 0.097 18612 8051 1 12 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.416 0.326 18612 8052 1 12 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.529 -1.279 18612 8053 1 12 . 1 1 35 35 ALA H H 35 8.160 8.160 7.897 0.263 18612 8054 1 12 . 1 1 36 36 LYS N N 36 117.979 117.979 118.030 -0.051 18612 8055 1 12 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.048 -0.053 18612 8056 1 12 . 1 1 36 36 LYS CA C 36 59.800 59.800 58.858 0.942 18612 8057 1 12 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.263 0.599 18612 8058 1 12 . 1 1 36 36 LYS H H 36 7.607 7.607 7.820 -0.213 18612 8059 1 12 . 1 1 37 37 LEU N N 37 120.957 120.957 122.113 -1.156 18612 8060 1 12 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.090 -0.087 18612 8061 1 12 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.582 0.928 18612 8062 1 12 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.718 0.312 18612 8063 1 12 . 1 1 37 37 LEU H H 37 7.762 7.762 8.049 -0.287 18612 8064 1 12 . 1 1 38 38 LEU N N 38 118.910 118.910 120.010 -1.100 18612 8065 1 12 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.963 0.013 18612 8066 1 12 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.156 0.114 18612 8067 1 12 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.095 -0.137 18612 8068 1 12 . 1 1 38 38 LEU H H 38 8.636 8.636 7.771 0.865 18612 8069 1 12 . 1 1 39 39 LYS N N 39 120.804 120.804 119.382 1.422 18612 8070 1 12 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.994 0.086 18612 8071 1 12 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.381 0.070 18612 8072 1 12 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.203 0.455 18612 8073 1 12 . 1 1 39 39 LYS H H 39 7.864 7.864 7.635 0.229 18612 8074 1 12 . 1 1 40 40 LEU N N 40 120.940 120.940 120.497 0.443 18612 8075 1 12 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.961 0.149 18612 8076 1 12 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.200 -0.260 18612 8077 1 12 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.730 1.356 18612 8078 1 12 . 1 1 40 40 LEU H H 40 7.831 7.831 8.289 -0.458 18612 8079 1 12 . 1 1 41 41 LYS N N 41 117.563 117.563 118.747 -1.184 18612 8080 1 12 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.934 -0.084 18612 8081 1 12 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.477 0.603 18612 8082 1 12 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.831 0.672 18612 8083 1 12 . 1 1 41 41 LYS H H 41 8.493 8.493 7.944 0.549 18612 8084 1 12 . 1 1 42 42 ALA N N 42 121.396 121.396 121.314 0.082 18612 8085 1 12 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.106 0.083 18612 8086 1 12 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.237 0.043 18612 8087 1 12 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.363 -0.463 18612 8088 1 12 . 1 1 42 42 ALA H H 42 7.918 7.918 7.472 0.446 18612 8089 1 12 . 1 1 43 43 GLN N N 43 116.883 116.883 117.832 -0.949 18612 8090 1 12 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.061 0.075 18612 8091 1 12 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.118 -0.708 18612 8092 1 12 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.905 0.675 18612 8093 1 12 . 1 1 43 43 GLN H H 43 7.591 7.591 7.662 -0.071 18612 8094 1 12 . 1 1 44 44 LEU N N 44 119.828 119.828 119.732 0.096 18612 8095 1 12 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.085 0.123 18612 8096 1 12 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.626 -0.549 18612 8097 1 12 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.373 0.054 18612 8098 1 12 . 1 1 44 44 LEU H H 44 7.574 7.574 7.635 -0.061 18612 8099 1 12 . 1 1 45 45 GLY N N 45 106.906 106.906 105.411 1.495 18612 8100 1 12 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.592 0.932 18612 8101 1 12 . 1 1 45 45 GLY H H 45 7.687 7.687 7.760 -0.073 18612 8102 1 12 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.310 0.137 18612 8103 1 12 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.087 0.023 18612 8104 1 12 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.332 0.098 18612 8105 1 12 . 1 1 47 47 ASP N N 47 121.060 121.060 119.848 1.212 18612 8106 1 12 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.459 0.119 18612 8107 1 12 . 1 1 47 47 ASP CA C 47 54.482 54.482 55.358 -0.876 18612 8108 1 12 . 1 1 47 47 ASP CB C 47 41.003 41.003 40.846 0.157 18612 8109 1 12 . 1 1 47 47 ASP H H 47 8.446 8.446 8.412 0.034 18612 8110 1 12 . 1 1 48 48 GLU N N 48 123.347 123.347 121.963 1.384 18612 8111 1 12 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.330 -0.086 18612 8112 1 12 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.025 -0.095 18612 8113 1 12 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.567 -0.020 18612 8114 1 12 . 1 1 48 48 GLU H H 48 8.577 8.577 8.764 -0.187 18612 8115 1 12 . 1 1 49 49 SER N N 49 116.751 116.751 116.096 0.655 18612 8116 1 12 . 1 1 49 49 SER HA H 49 4.349 4.349 4.353 -0.004 18612 8117 1 12 . 1 1 49 49 SER CA C 49 59.380 59.380 59.690 -0.310 18612 8118 1 12 . 1 1 49 49 SER CB C 49 63.460 63.460 63.496 -0.036 18612 8119 1 12 . 1 1 49 49 SER H H 49 8.399 8.399 8.539 -0.140 18612 8120 1 12 . 1 1 50 50 LYS N N 50 121.935 121.935 122.725 -0.790 18612 8121 1 12 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.405 0.036 18612 8122 1 12 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.377 0.143 18612 8123 1 12 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.855 -2.400 18612 8124 1 12 . 1 1 50 50 LYS H H 50 8.058 8.058 8.374 -0.316 18612 8125 1 12 . 1 1 51 51 GLN N N 51 122.155 122.155 120.779 1.376 18612 8126 1 12 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.406 -0.203 18612 8127 1 12 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.249 0.960 18612 8128 1 12 . 1 1 51 51 GLN CB C 51 30.788 30.788 31.089 -0.301 18612 8129 1 12 . 1 1 51 51 GLN H H 51 8.273 8.273 8.596 -0.323 18612 8130 1 12 . 1 1 52 52 LYS N N 52 122.761 122.761 120.469 2.292 18612 8131 1 12 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.539 -0.224 18612 8132 1 12 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.851 0.629 18612 8133 1 12 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.436 -0.514 18612 8134 1 12 . 1 1 52 52 LYS H H 52 8.251 8.251 8.191 0.060 18612 8135 1 12 . 1 1 53 53 PHE N N 53 121.326 121.326 124.283 -2.957 18612 8136 1 12 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.590 0.054 18612 8137 1 12 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.432 0.208 18612 8138 1 12 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.704 -0.116 18612 8139 1 12 . 1 1 53 53 PHE H H 53 8.153 8.153 8.657 -0.504 18612 8140 1 12 . 1 1 54 54 VAL N N 54 122.941 122.941 117.801 5.140 18612 8141 1 12 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.361 -0.318 18612 8142 1 12 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.724 0.256 18612 8143 1 12 . 1 1 54 54 VAL CB C 54 33.181 33.181 33.381 -0.200 18612 8144 1 12 . 1 1 54 54 VAL H H 54 7.960 7.960 7.469 0.491 18612 8145 1 12 . 1 1 55 55 LEU N N 55 126.751 126.751 124.337 2.414 18612 8146 1 12 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.368 -0.055 18612 8147 1 12 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.542 -0.482 18612 8148 1 12 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.575 -0.261 18612 8149 1 12 . 1 1 55 55 LEU H H 55 8.226 8.226 8.086 0.140 18612 8150 1 12 . 1 1 56 56 LYS N N 56 123.614 123.614 120.287 3.327 18612 8151 1 12 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.690 -0.318 18612 8152 1 12 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.562 0.350 18612 8153 1 12 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.451 -0.260 18612 8154 1 12 . 1 1 56 56 LYS H H 56 8.320 8.320 7.797 0.523 18612 8155 1 12 . 1 1 57 57 THR N N 57 115.794 115.794 117.933 -2.139 18612 8156 1 12 . 1 1 57 57 THR HA H 57 4.349 4.349 4.641 -0.292 18612 8157 1 12 . 1 1 57 57 THR CA C 57 58.960 58.960 59.958 -0.998 18612 8158 1 12 . 1 1 57 57 THR CB C 57 70.740 70.740 68.790 1.950 18612 8159 1 12 . 1 1 57 57 THR H H 57 7.892 7.892 8.226 -0.334 18612 8160 1 12 . 1 1 59 59 LYS N N 59 121.755 121.755 119.536 2.219 18612 8161 1 12 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.294 -0.067 18612 8162 1 12 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.893 0.627 18612 8163 1 12 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.947 0.147 18612 8164 1 12 . 1 1 59 59 LYS H H 59 8.300 8.300 8.018 0.282 18612 8165 1 12 . 1 1 60 60 ALA N N 60 125.263 125.263 126.659 -1.396 18612 8166 1 12 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.616 -0.338 18612 8167 1 12 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.432 0.432 18612 8168 1 12 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.849 -0.869 18612 8169 1 12 . 1 1 60 60 ALA H H 60 8.290 8.290 8.415 -0.125 18612 8170 1 12 . 1 1 61 61 LEU N N 61 121.255 121.255 120.185 1.070 18612 8171 1 12 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.259 0.021 18612 8172 1 12 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.889 0.696 18612 8173 1 12 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.141 0.104 18612 8174 1 12 . 1 1 61 61 LEU H H 61 8.144 8.144 8.054 0.090 18612 8175 1 12 . 1 1 62 62 GLU N N 62 121.401 121.401 117.526 3.875 18612 8176 1 12 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.215 0.061 18612 8177 1 12 . 1 1 62 62 GLU CA C 62 56.930 56.930 57.115 -0.186 18612 8178 1 12 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.736 0.499 18612 8179 1 12 . 1 1 62 62 GLU H H 62 8.266 8.266 8.002 0.264 18612 8180 1 12 . 1 1 64 64 LYS N N 64 120.575 120.575 120.192 0.383 18612 8181 1 12 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.510 -0.266 18612 8182 1 12 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.689 0.396 18612 8183 1 12 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.516 -4.045 18612 8184 1 12 . 1 1 64 64 LYS H H 64 8.106 8.106 8.094 0.012 18612 8185 1 12 . 1 1 65 65 ILE N N 65 122.492 122.492 120.193 2.299 18612 8186 1 12 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.514 -0.374 18612 8187 1 12 . 1 1 65 65 ILE CA C 65 61.180 61.180 59.475 1.704 18612 8188 1 12 . 1 1 65 65 ILE CB C 65 38.550 38.550 38.946 -0.396 18612 8189 1 12 . 1 1 65 65 ILE H H 65 8.135 8.135 8.389 -0.254 18612 8190 1 12 . 1 1 66 66 ARG N N 66 125.714 125.714 122.775 2.939 18612 8191 1 12 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.569 -0.101 18612 8192 1 12 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.783 0.284 18612 8193 1 12 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.139 0.887 18612 8194 1 12 . 1 1 66 66 ARG H H 66 8.402 8.402 8.627 -0.225 18612 8195 1 12 . 1 1 67 67 THR N N 67 115.622 115.622 119.862 -4.240 18612 8196 1 12 . 1 1 67 67 THR HA H 67 4.445 4.445 4.556 -0.111 18612 8197 1 12 . 1 1 67 67 THR CA C 67 61.650 61.650 62.086 -0.436 18612 8198 1 12 . 1 1 67 67 THR CB C 67 69.620 69.620 71.049 -1.429 18612 8199 1 12 . 1 1 67 67 THR H H 67 8.281 8.281 8.279 0.002 18612 8200 1 12 . 1 1 68 68 THR N N 68 116.774 116.774 117.215 -0.441 18612 8201 1 12 . 1 1 68 68 THR HA H 68 4.503 4.503 4.355 0.148 18612 8202 1 12 . 1 1 68 68 THR CA C 68 61.050 61.050 63.032 -1.982 18612 8203 1 12 . 1 1 68 68 THR CB C 68 69.210 69.210 69.656 -0.446 18612 8204 1 12 . 1 1 68 68 THR H H 68 8.076 8.076 8.428 -0.352 18612 8205 1 12 . 1 1 69 69 GLU N N 69 124.048 124.048 118.709 5.339 18612 8206 1 12 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.325 0.051 18612 8207 1 12 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.263 0.137 18612 8208 1 12 . 1 1 69 69 GLU CB C 69 30.618 30.618 28.896 1.722 18612 8209 1 12 . 1 1 69 69 GLU H H 69 8.515 8.515 8.007 0.508 18612 8210 1 12 . 1 1 70 70 THR N N 70 118.988 118.988 112.166 6.822 18612 8211 1 12 . 1 1 70 70 THR HA H 70 3.741 3.741 4.348 -0.607 18612 8212 1 12 . 1 1 70 70 THR CA C 70 64.680 64.680 62.547 2.133 18612 8213 1 12 . 1 1 70 70 THR CB C 70 68.770 68.770 69.444 -0.674 18612 8214 1 12 . 1 1 70 70 THR H H 70 8.259 8.259 7.821 0.438 18612 8215 1 12 . 1 1 71 71 GLN N N 71 125.858 125.858 125.212 0.646 18612 8216 1 12 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.411 -0.117 18612 8217 1 12 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.308 -0.908 18612 8218 1 12 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.201 1.870 18612 8219 1 12 . 1 1 71 71 GLN H H 71 8.795 8.795 8.911 -0.116 18612 8220 1 12 . 1 1 72 72 VAL N N 72 113.505 113.505 112.907 0.598 18612 8221 1 12 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.445 0.453 18612 8222 1 12 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.643 -1.023 18612 8223 1 12 . 1 1 72 72 VAL CB C 72 35.404 35.404 34.160 1.244 18612 8224 1 12 . 1 1 72 72 VAL H H 72 7.325 7.325 7.483 -0.158 18612 8225 1 12 . 1 1 73 73 LEU N N 73 128.725 128.725 121.173 7.552 18612 8226 1 12 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.728 0.364 18612 8227 1 12 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.948 -1.208 18612 8228 1 12 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.467 -0.386 18612 8229 1 12 . 1 1 73 73 LEU H H 73 8.170 8.170 8.319 -0.148 18612 8230 1 12 . 1 1 74 74 VAL N N 74 127.634 127.634 125.042 2.592 18612 8231 1 12 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.838 -0.072 18612 8232 1 12 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.088 2.002 18612 8233 1 12 . 1 1 74 74 VAL CB C 74 31.690 31.690 34.216 -2.526 18612 8234 1 12 . 1 1 74 74 VAL H H 74 8.913 8.913 8.222 0.691 18612 8235 1 12 . 1 1 75 75 ALA N N 75 132.602 132.602 131.111 1.491 18612 8236 1 12 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.686 0.121 18612 8237 1 12 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.630 0.270 18612 8238 1 12 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.023 1.897 18612 8239 1 12 . 1 1 75 75 ALA H H 75 9.421 9.421 9.069 0.352 18612 8240 1 12 . 1 1 76 76 SER N N 76 111.274 111.274 116.740 -5.466 18612 8241 1 12 . 1 1 76 76 SER HA H 76 4.951 4.951 4.664 0.287 18612 8242 1 12 . 1 1 76 76 SER CA C 76 56.940 56.940 55.824 1.116 18612 8243 1 12 . 1 1 76 76 SER CB C 76 65.960 65.960 65.210 0.750 18612 8244 1 12 . 1 1 76 76 SER H H 76 8.106 8.106 8.398 -0.292 18612 8245 1 12 . 1 1 77 77 ALA N N 77 125.393 125.393 124.165 1.228 18612 8246 1 12 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.669 -0.208 18612 8247 1 12 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.561 1.193 18612 8248 1 12 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.271 0.469 18612 8249 1 12 . 1 1 77 77 ALA H H 77 9.004 9.004 8.588 0.416 18612 8250 1 12 . 1 1 78 78 GLN N N 78 116.290 116.290 118.420 -2.130 18612 8251 1 12 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.335 0.108 18612 8252 1 12 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.761 0.869 18612 8253 1 12 . 1 1 78 78 GLN CB C 78 30.553 30.553 31.834 -1.281 18612 8254 1 12 . 1 1 78 78 GLN H H 78 7.985 7.985 7.603 0.382 18612 8255 1 12 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.440 0.123 18612 8256 1 12 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.336 -7.336 18612 8257 1 12 . 1 1 81 81 LEU CB C 81 41.021 41.021 40.628 0.393 18612 8258 1 12 . 1 1 82 82 LEU HA H 82 4.798 4.798 3.842 0.956 18612 8259 1 12 . 1 1 83 83 GLU HA H 83 3.906 3.906 3.987 -0.081 18612 8260 1 12 . 1 1 85 85 ARG N N 85 119.948 119.948 118.927 1.021 18612 8261 1 12 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.069 -0.198 18612 8262 1 12 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.200 1.480 18612 8263 1 12 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.639 2.282 18612 8264 1 12 . 1 1 85 85 ARG H H 85 8.229 8.229 8.422 -0.193 18612 8265 1 12 . 1 1 86 86 LEU N N 86 120.227 120.227 121.329 -1.102 18612 8266 1 12 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.923 -0.097 18612 8267 1 12 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.575 -0.385 18612 8268 1 12 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.820 -0.232 18612 8269 1 12 . 1 1 86 86 LEU H H 86 8.459 8.459 8.233 0.226 18612 8270 1 12 . 1 1 87 87 LYS N N 87 120.470 120.470 118.894 1.576 18612 8271 1 12 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.957 0.064 18612 8272 1 12 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.382 -0.002 18612 8273 1 12 . 1 1 87 87 LYS CB C 87 32.898 32.898 31.833 1.065 18612 8274 1 12 . 1 1 87 87 LYS H H 87 7.945 7.945 7.851 0.094 18612 8275 1 12 . 1 1 88 88 LEU N N 88 119.799 119.799 121.139 -1.340 18612 8276 1 12 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.070 0.137 18612 8277 1 12 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.261 -0.581 18612 8278 1 12 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.240 -1.015 18612 8279 1 12 . 1 1 88 88 LEU H H 88 7.547 7.547 7.697 -0.149 18612 8280 1 12 . 1 1 89 89 VAL N N 89 118.828 118.828 119.394 -0.566 18612 8281 1 12 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.630 -0.312 18612 8282 1 12 . 1 1 89 89 VAL CA C 89 67.750 67.750 65.616 2.134 18612 8283 1 12 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.269 1.109 18612 8284 1 12 . 1 1 89 89 VAL H H 89 8.347 8.347 8.688 -0.341 18612 8285 1 12 . 1 1 90 90 SER N N 90 114.835 114.835 116.639 -1.804 18612 8286 1 12 . 1 1 90 90 SER HA H 90 4.207 4.207 4.176 0.031 18612 8287 1 12 . 1 1 90 90 SER CA C 90 62.000 62.000 62.300 -0.300 18612 8288 1 12 . 1 1 90 90 SER CB C 90 62.770 62.770 62.859 -0.089 18612 8289 1 12 . 1 1 90 90 SER H H 90 7.942 7.942 8.639 -0.697 18612 8290 1 12 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.073 -0.030 18612 8291 1 12 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.143 0.297 18612 8292 1 12 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.577 0.657 18612 8293 1 12 . 1 1 92 92 LEU N N 92 119.720 119.720 120.508 -0.788 18612 8294 1 12 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.994 -0.046 18612 8295 1 12 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.386 -0.267 18612 8296 1 12 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.822 -1.246 18612 8297 1 12 . 1 1 92 92 LEU H H 92 8.379 8.379 8.700 -0.321 18612 8298 1 12 . 1 1 93 93 GLN N N 93 120.938 120.938 118.741 2.197 18612 8299 1 12 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.131 0.422 18612 8300 1 12 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.573 0.477 18612 8301 1 12 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.588 -0.608 18612 8302 1 12 . 1 1 93 93 GLN H H 93 8.751 8.751 8.359 0.392 18612 8303 1 12 . 1 1 94 94 ASP N N 94 122.442 122.442 118.875 3.567 18612 8304 1 12 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.538 -0.079 18612 8305 1 12 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.500 0.600 18612 8306 1 12 . 1 1 94 94 ASP CB C 94 40.261 40.261 40.991 -0.730 18612 8307 1 12 . 1 1 94 94 ASP H H 94 8.470 8.470 7.825 0.645 18612 8308 1 12 . 1 1 95 95 ALA N N 95 120.437 120.437 120.943 -0.506 18612 8309 1 12 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.407 0.105 18612 8310 1 12 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.441 -1.696 18612 8311 1 12 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.874 0.146 18612 8312 1 12 . 1 1 95 95 ALA H H 95 7.340 7.340 8.321 -0.981 18612 8313 1 12 . 1 1 96 96 GLY N N 96 106.865 106.865 105.053 1.812 18612 8314 1 12 . 1 1 96 96 GLY CA C 96 45.290 45.290 45.107 0.183 18612 8315 1 12 . 1 1 96 96 GLY H H 96 7.987 7.987 8.293 -0.306 18612 8316 1 12 . 1 1 97 97 ILE N N 97 122.489 122.489 117.168 5.321 18612 8317 1 12 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.444 -0.190 18612 8318 1 12 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.204 0.446 18612 8319 1 12 . 1 1 97 97 ILE CB C 97 37.973 37.973 40.946 -2.973 18612 8320 1 12 . 1 1 97 97 ILE H H 97 8.062 8.062 7.937 0.125 18612 8321 1 12 . 1 1 98 98 LYS N N 98 127.459 127.459 123.170 4.289 18612 8322 1 12 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.202 0.304 18612 8323 1 12 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.896 -0.975 18612 8324 1 12 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.653 -0.219 18612 8325 1 12 . 1 1 98 98 LYS H H 98 8.574 8.574 8.799 -0.225 18612 8326 1 12 . 1 1 99 99 ALA N N 99 130.423 130.423 128.899 1.524 18612 8327 1 12 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.299 1.465 18612 8328 1 12 . 1 1 99 99 ALA CA C 99 49.211 49.211 52.068 -2.857 18612 8329 1 12 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.806 5.064 18612 8330 1 12 . 1 1 99 99 ALA H H 99 7.813 7.813 8.295 -0.482 18612 8331 1 12 . 1 1 100 100 GLU N N 100 118.988 118.988 124.351 -5.363 18612 8332 1 12 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.641 0.194 18612 8333 1 12 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.068 -0.362 18612 8334 1 12 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.249 2.672 18612 8335 1 12 . 1 1 100 100 GLU H H 100 8.226 8.226 8.028 0.198 18612 8336 1 12 . 1 1 101 101 LEU N N 101 120.024 120.024 121.904 -1.880 18612 8337 1 12 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.627 0.087 18612 8338 1 12 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.468 0.291 18612 8339 1 12 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.594 -0.510 18612 8340 1 12 . 1 1 101 101 LEU H H 101 8.478 8.478 8.655 -0.177 18612 8341 1 12 . 1 1 102 102 LEU N N 102 118.623 118.623 121.969 -3.346 18612 8342 1 12 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.449 -0.415 18612 8343 1 12 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.105 4.355 18612 8344 1 12 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.459 -4.234 18612 8345 1 12 . 1 1 102 102 LEU H H 102 8.763 8.763 7.679 1.084 18612 8346 1 12 . 1 1 103 103 TYR N N 103 115.970 115.970 112.559 3.411 18612 8347 1 12 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.612 -0.030 18612 8348 1 12 . 1 1 103 103 TYR CA C 103 55.973 55.973 56.061 -0.088 18612 8349 1 12 . 1 1 103 103 TYR CB C 103 38.732 38.732 37.565 1.167 18612 8350 1 12 . 1 1 103 103 TYR H H 103 7.378 7.378 7.748 -0.370 18612 8351 1 12 . 1 1 104 104 LYS N N 104 120.577 120.577 121.318 -0.741 18612 8352 1 12 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.136 0.003 18612 8353 1 12 . 1 1 104 104 LYS CA C 104 56.480 56.480 55.849 0.631 18612 8354 1 12 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.345 -0.423 18612 8355 1 12 . 1 1 104 104 LYS H H 104 7.906 7.906 7.836 0.070 18612 8356 1 12 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.003 0.026 18612 8357 1 12 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.051 -0.052 18612 8358 1 12 . 1 1 113 113 LEU N N 113 120.147 120.147 120.184 -0.037 18612 8359 1 12 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.247 -0.264 18612 8360 1 12 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.578 0.842 18612 8361 1 12 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.326 -0.733 18612 8362 1 12 . 1 1 113 113 LEU H H 113 8.365 8.365 8.626 -0.261 18612 8363 1 12 . 1 1 114 114 GLN N N 114 119.995 119.995 118.101 1.894 18612 8364 1 12 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.963 0.074 18612 8365 1 12 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.334 -0.363 18612 8366 1 12 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.668 -0.478 18612 8367 1 12 . 1 1 114 114 GLN H H 114 8.126 8.126 8.046 0.080 18612 8368 1 12 . 1 1 115 115 TYR N N 115 120.358 120.358 118.695 1.663 18612 8369 1 12 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.284 0.011 18612 8370 1 12 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.957 0.073 18612 8371 1 12 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.206 -0.437 18612 8372 1 12 . 1 1 115 115 TYR H H 115 7.819 7.819 8.280 -0.461 18612 8373 1 12 . 1 1 116 116 CYS N N 116 116.264 116.264 119.064 -2.800 18612 8374 1 12 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.029 -0.213 18612 8375 1 12 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.333 1.897 18612 8376 1 12 . 1 1 116 116 CYS CB C 116 27.320 27.320 26.878 0.442 18612 8377 1 12 . 1 1 116 116 CYS H H 116 7.710 7.710 7.968 -0.258 18612 8378 1 12 . 1 1 117 117 GLU N N 117 119.526 119.526 118.521 1.005 18612 8379 1 12 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.130 -0.282 18612 8380 1 12 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.056 0.094 18612 8381 1 12 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.808 -0.107 18612 8382 1 12 . 1 1 117 117 GLU H H 117 7.912 7.912 8.243 -0.331 18612 8383 1 12 . 1 1 118 118 GLU N N 118 119.875 119.875 118.789 1.086 18612 8384 1 12 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.159 -0.190 18612 8385 1 12 . 1 1 118 118 GLU CA C 118 58.780 58.780 57.913 0.868 18612 8386 1 12 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.615 0.195 18612 8387 1 12 . 1 1 118 118 GLU H H 118 7.988 7.988 7.846 0.142 18612 8388 1 12 . 1 1 119 119 ALA N N 119 119.118 119.118 120.719 -1.601 18612 8389 1 12 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.245 -0.079 18612 8390 1 12 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.665 -1.011 18612 8391 1 12 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.544 -0.464 18612 8392 1 12 . 1 1 119 119 ALA H H 119 8.137 8.137 7.618 0.519 18612 8393 1 12 . 1 1 120 120 GLY N N 120 106.604 106.604 104.668 1.936 18612 8394 1 12 . 1 1 120 120 GLY CA C 120 46.377 46.377 43.938 2.439 18612 8395 1 12 . 1 1 120 120 GLY H H 120 7.550 7.550 7.739 -0.189 18612 8396 1 12 . 1 1 121 121 ILE N N 121 124.026 124.026 115.367 8.659 18612 8397 1 12 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.426 -0.415 18612 8398 1 12 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.847 0.203 18612 8399 1 12 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.831 3.220 18612 8400 1 12 . 1 1 121 121 ILE H H 121 7.918 7.918 8.201 -0.283 18612 8401 1 12 . 1 1 123 123 LEU N N 123 119.541 119.541 115.396 4.145 18612 8402 1 12 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.559 0.944 18612 8403 1 12 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.691 -1.005 18612 8404 1 12 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.743 0.314 18612 8405 1 12 . 1 1 123 123 LEU H H 123 6.973 6.973 7.693 -0.720 18612 8406 1 12 . 1 1 124 124 VAL N N 124 119.580 119.580 121.685 -2.105 18612 8407 1 12 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.958 0.078 18612 8408 1 12 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.240 -0.660 18612 8409 1 12 . 1 1 124 124 VAL CB C 124 35.257 35.257 37.152 -1.895 18612 8410 1 12 . 1 1 124 124 VAL H H 124 8.823 8.823 8.902 -0.079 18612 8411 1 12 . 1 1 125 125 ALA N N 125 130.810 130.810 125.473 5.337 18612 8412 1 12 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.024 0.132 18612 8413 1 12 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.140 -1.945 18612 8414 1 12 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.943 -1.883 18612 8415 1 12 . 1 1 125 125 ALA H H 125 9.083 9.083 9.186 -0.103 18612 8416 1 12 . 1 1 126 126 ILE N N 126 124.925 124.925 124.850 0.075 18612 8417 1 12 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.735 -0.232 18612 8418 1 12 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.510 0.450 18612 8419 1 12 . 1 1 126 126 ILE CB C 126 39.805 39.805 39.714 0.091 18612 8420 1 12 . 1 1 126 126 ILE H H 126 9.564 9.564 7.831 1.733 18612 8421 1 12 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.390 0.253 18612 8422 1 12 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.542 -1.102 18612 8423 1 12 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.009 1.993 18612 8424 1 12 . 1 1 129 129 GLU N N 129 121.547 121.547 117.429 4.118 18612 8425 1 12 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.334 -0.386 18612 8426 1 12 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.372 3.028 18612 8427 1 12 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.007 1.295 18612 8428 1 12 . 1 1 129 129 GLU H H 129 9.035 9.035 8.303 0.732 18612 8429 1 12 . 1 1 130 130 GLN N N 130 120.221 120.221 120.571 -0.350 18612 8430 1 12 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.073 -0.196 18612 8431 1 12 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.183 -0.763 18612 8432 1 12 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.126 0.274 18612 8433 1 12 . 1 1 130 130 GLN H H 130 8.914 8.914 8.511 0.403 18612 8434 1 12 . 1 1 131 131 GLU N N 131 120.680 120.680 119.933 0.747 18612 8435 1 12 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.190 -0.251 18612 8436 1 12 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.247 1.963 18612 8437 1 12 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.098 -0.928 18612 8438 1 12 . 1 1 131 131 GLU H H 131 8.871 8.871 8.703 0.168 18612 8439 1 12 . 1 1 132 132 LEU N N 132 118.303 118.303 118.245 0.058 18612 8440 1 12 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.188 0.174 18612 8441 1 12 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.981 -1.865 18612 8442 1 12 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.596 0.227 18612 8443 1 12 . 1 1 132 132 LEU H H 132 8.152 8.152 8.195 -0.043 18612 8444 1 12 . 1 1 133 133 LYS N N 133 120.924 120.924 117.870 3.054 18612 8445 1 12 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.122 -0.041 18612 8446 1 12 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.025 0.555 18612 8447 1 12 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.352 0.120 18612 8448 1 12 . 1 1 133 133 LYS H H 133 7.631 7.631 7.394 0.237 18612 8449 1 12 . 1 1 134 134 ASP N N 134 118.256 118.256 117.499 0.757 18612 8450 1 12 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.575 0.094 18612 8451 1 12 . 1 1 134 134 ASP CA C 134 55.151 55.151 56.167 -1.016 18612 8452 1 12 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.677 -0.296 18612 8453 1 12 . 1 1 134 134 ASP H H 134 7.985 7.985 7.775 0.210 18612 8454 1 12 . 1 1 135 135 GLY N N 135 109.383 109.383 107.083 2.300 18612 8455 1 12 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.349 1.214 18612 8456 1 12 . 1 1 135 135 GLY H H 135 8.019 8.019 8.249 -0.230 18612 8457 1 12 . 1 1 136 136 VAL N N 136 117.112 117.112 120.942 -3.830 18612 8458 1 12 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.332 0.571 18612 8459 1 12 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.708 -1.758 18612 8460 1 12 . 1 1 136 136 VAL CB C 136 35.885 35.885 34.009 1.876 18612 8461 1 12 . 1 1 136 136 VAL H H 136 8.229 8.229 8.326 -0.097 18612 8462 1 12 . 1 1 137 137 ILE N N 137 121.971 121.971 123.910 -1.939 18612 8463 1 12 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.302 -0.128 18612 8464 1 12 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.861 -1.302 18612 8465 1 12 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.726 0.063 18612 8466 1 12 . 1 1 137 137 ILE H H 137 8.975 8.975 8.591 0.385 18612 8467 1 12 . 1 1 138 138 LYS N N 138 126.613 126.613 126.749 -0.136 18612 8468 1 12 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.139 -0.215 18612 8469 1 12 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.352 1.363 18612 8470 1 12 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.072 -0.855 18612 8471 1 12 . 1 1 138 138 LYS H H 138 7.726 7.726 8.507 -0.781 18612 8472 1 12 . 1 1 139 139 LEU N N 139 129.177 129.177 125.342 3.835 18612 8473 1 12 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.796 0.407 18612 8474 1 12 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.219 0.071 18612 8475 1 12 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.367 0.393 18612 8476 1 12 . 1 1 139 139 LEU H H 139 9.404 9.404 8.990 0.414 18612 8477 1 12 . 1 1 140 140 ARG N N 140 128.243 128.243 126.775 1.468 18612 8478 1 12 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.481 0.781 18612 8479 1 12 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.080 -2.395 18612 8480 1 12 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.519 -2.529 18612 8481 1 12 . 1 1 140 140 ARG H H 140 9.540 9.540 8.668 0.872 18612 8482 1 12 . 1 1 142 142 VAL N N 142 129.670 129.670 120.530 9.140 18612 8483 1 12 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.748 -0.201 18612 8484 1 12 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.296 0.654 18612 8485 1 12 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.166 1.522 18612 8486 1 12 . 1 1 142 142 VAL H H 142 8.336 8.336 7.893 0.443 18612 8487 1 12 . 1 1 143 143 THR N N 143 111.061 111.061 113.199 -2.138 18612 8488 1 12 . 1 1 143 143 THR HA H 143 4.157 4.157 4.149 0.008 18612 8489 1 12 . 1 1 143 143 THR CA C 143 69.400 69.400 64.628 4.772 18612 8490 1 12 . 1 1 143 143 THR CB C 143 70.020 70.020 68.713 1.307 18612 8491 1 12 . 1 1 143 143 THR H H 143 8.248 8.248 7.975 0.273 18612 8492 1 12 . 1 1 144 144 SER N N 144 115.158 115.158 115.380 -0.222 18612 8493 1 12 . 1 1 144 144 SER HA H 144 4.514 4.514 4.435 0.079 18612 8494 1 12 . 1 1 144 144 SER CA C 144 58.370 58.370 60.363 -1.993 18612 8495 1 12 . 1 1 144 144 SER CB C 144 64.500 64.500 63.595 0.905 18612 8496 1 12 . 1 1 144 144 SER H H 144 7.812 7.812 8.284 -0.472 18612 8497 1 12 . 1 1 145 145 ARG N N 145 116.527 116.527 118.968 -2.441 18612 8498 1 12 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.533 -0.707 18612 8499 1 12 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.163 2.137 18612 8500 1 12 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.039 -3.839 18612 8501 1 12 . 1 1 145 145 ARG H H 145 7.836 7.836 7.946 -0.110 18612 8502 1 12 . 1 1 146 146 GLU N N 146 119.889 119.889 114.216 5.673 18612 8503 1 12 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.368 -0.099 18612 8504 1 12 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.280 -0.350 18612 8505 1 12 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.930 -0.292 18612 8506 1 12 . 1 1 146 146 GLU H H 146 7.675 7.675 8.524 -0.849 18612 8507 1 12 . 1 1 147 147 GLU N N 147 124.286 124.286 119.143 5.143 18612 8508 1 12 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.855 0.464 18612 8509 1 12 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.547 -0.612 18612 8510 1 12 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.127 0.613 18612 8511 1 12 . 1 1 147 147 GLU H H 147 8.602 8.602 8.134 0.468 18612 8512 1 12 . 1 1 148 148 VAL N N 148 120.587 120.587 121.642 -1.055 18612 8513 1 12 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.523 0.011 18612 8514 1 12 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.483 0.177 18612 8515 1 12 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.654 0.036 18612 8516 1 12 . 1 1 148 148 VAL H H 148 8.536 8.536 8.277 0.259 18612 8517 1 12 . 1 1 149 149 ASP N N 149 125.031 125.031 123.962 1.069 18612 8518 1 12 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.383 -0.229 18612 8519 1 12 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.823 0.090 18612 8520 1 12 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.315 -1.534 18612 8521 1 12 . 1 1 149 149 ASP H H 149 8.411 8.411 8.321 0.090 18612 8522 1 12 . 1 1 150 150 VAL N N 150 123.264 123.264 116.882 6.382 18612 8523 1 12 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.569 -0.169 18612 8524 1 12 . 1 1 150 150 VAL CA C 150 59.640 59.640 60.342 -0.702 18612 8525 1 12 . 1 1 150 150 VAL CB C 150 35.025 35.025 34.528 0.497 18612 8526 1 12 . 1 1 150 150 VAL H H 150 9.061 9.061 8.914 0.147 18612 8527 1 12 . 1 1 151 151 ARG N N 151 125.112 125.112 120.510 4.602 18612 8528 1 12 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.698 -0.290 18612 8529 1 12 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.747 2.363 18612 8530 1 12 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.207 -0.317 18612 8531 1 12 . 1 1 151 151 ARG H H 151 9.048 9.048 8.655 0.393 18612 8532 1 12 . 1 1 152 152 ARG N N 152 124.828 124.828 118.129 6.699 18612 8533 1 12 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.811 -0.145 18612 8534 1 12 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.941 0.088 18612 8535 1 12 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.473 1.537 18612 8536 1 12 . 1 1 152 152 ARG H H 152 8.582 8.582 8.647 -0.065 18612 8537 1 12 . 1 1 153 153 GLU N N 153 116.730 116.730 118.751 -2.021 18612 8538 1 12 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.093 0.107 18612 8539 1 12 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.628 -0.658 18612 8540 1 12 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.201 -0.621 18612 8541 1 12 . 1 1 153 153 GLU H H 153 9.924 9.924 8.368 1.556 18612 8542 1 12 . 1 1 154 154 ASP N N 154 119.318 119.318 118.653 0.665 18612 8543 1 12 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.470 0.548 18612 8544 1 12 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.728 -2.336 18612 8545 1 12 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.073 2.217 18612 8546 1 12 . 1 1 154 154 ASP H H 154 7.758 7.758 8.635 -0.877 18612 8547 1 12 . 1 1 155 155 LEU N N 155 121.863 121.863 121.703 0.160 18612 8548 1 12 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.083 -0.268 18612 8549 1 12 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.130 1.040 18612 8550 1 12 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.929 0.699 18612 8551 1 12 . 1 1 155 155 LEU H H 155 7.315 7.315 7.701 -0.386 18612 8552 1 12 . 1 1 156 156 VAL N N 156 118.555 118.555 118.392 0.163 18612 8553 1 12 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.625 -0.370 18612 8554 1 12 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.194 1.467 18612 8555 1 12 . 1 1 156 156 VAL CB C 156 31.230 31.230 30.953 0.278 18612 8556 1 12 . 1 1 156 156 VAL H H 156 8.490 8.490 7.744 0.746 18612 8557 1 12 . 1 1 157 157 GLU N N 157 118.568 118.568 120.052 -1.484 18612 8558 1 12 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.876 0.034 18612 8559 1 12 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.872 -0.452 18612 8560 1 12 . 1 1 157 157 GLU H H 157 8.138 8.138 7.996 0.142 18612 8561 1 12 . 1 1 158 158 GLU N N 158 118.484 118.484 119.017 -0.533 18612 8562 1 12 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.123 0.017 18612 8563 1 12 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.437 -2.147 18612 8564 1 12 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.769 -0.295 18612 8565 1 12 . 1 1 158 158 GLU H H 158 8.138 8.138 7.985 0.153 18612 8566 1 12 . 1 1 159 159 ILE N N 159 119.508 119.508 120.592 -1.084 18612 8567 1 12 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.661 -0.233 18612 8568 1 12 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.814 0.076 18612 8569 1 12 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.752 -7.752 18612 8570 1 12 . 1 1 159 159 ILE H H 159 8.482 8.482 7.816 0.666 18612 8571 1 12 . 1 1 160 160 LYS N N 160 121.513 121.513 119.709 1.804 18612 8572 1 12 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.923 -0.145 18612 8573 1 12 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.936 0.914 18612 8574 1 12 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.218 0.032 18612 8575 1 12 . 1 1 160 160 LYS H H 160 8.424 8.424 8.406 0.018 18612 8576 1 12 . 1 1 161 161 ARG N N 161 118.966 118.966 117.950 1.016 18612 8577 1 12 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.056 0.013 18612 8578 1 12 . 1 1 161 161 ARG CA C 161 59.330 59.330 59.132 0.199 18612 8579 1 12 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.013 0.879 18612 8580 1 12 . 1 1 161 161 ARG H H 161 8.248 8.248 7.885 0.363 18612 8581 1 12 . 1 1 162 162 ARG N N 162 117.033 117.033 119.687 -2.654 18612 8582 1 12 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.200 0.042 18612 8583 1 12 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.712 -0.654 18612 8584 1 12 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.288 1.502 18612 8585 1 12 . 1 1 162 162 ARG H H 162 7.811 7.811 7.899 -0.088 18612 8586 1 12 . 1 1 163 163 THR N N 163 108.588 108.588 111.817 -3.229 18612 8587 1 12 . 1 1 163 163 THR HA H 163 4.549 4.549 4.489 0.060 18612 8588 1 12 . 1 1 163 163 THR CA C 163 61.820 61.820 62.444 -0.625 18612 8589 1 12 . 1 1 163 163 THR CB C 163 70.020 70.020 68.847 1.173 18612 8590 1 12 . 1 1 163 163 THR H H 163 7.831 7.831 7.905 -0.074 18612 8591 1 12 . 1 1 164 164 GLY N N 164 110.640 110.640 109.417 1.223 18612 8592 1 12 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.087 0.626 18612 8593 1 12 . 1 1 164 164 GLY H H 164 7.847 7.847 7.292 0.555 18612 8594 1 12 . 1 1 165 165 GLN N N 165 120.993 120.993 121.377 -0.384 18612 8595 1 12 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.717 -0.775 18612 8596 1 12 . 1 1 165 165 GLN CA C 165 56.077 56.077 52.523 3.554 18612 8597 1 12 . 1 1 165 165 GLN CB C 165 29.569 29.569 30.255 -0.685 18612 8598 1 12 . 1 1 165 165 GLN H H 165 8.141 8.141 8.403 -0.262 18612 8599 1 12 . 1 1 167 167 LEU N N 167 122.540 122.540 125.272 -2.732 18612 8600 1 12 . 1 1 167 167 LEU H H 167 8.370 8.370 8.060 0.310 18612 8601 1 12 . 1 1 168 168 SER N N 168 116.635 116.635 115.992 0.643 18612 8602 1 12 . 1 1 168 168 SER H H 168 8.269 8.269 8.336 -0.067 18612 8603 1 12 . 1 1 169 169 ILE N N 169 122.767 122.767 119.396 3.371 18612 8604 1 12 . 1 1 169 169 ILE H H 169 8.165 8.165 7.675 0.490 18612 8605 1 13 . 1 1 2 2 GLU N N 2 120.329 120.329 117.994 2.335 18612 8606 1 13 . 1 1 2 2 GLU HA H 2 4.142 4.142 3.834 0.308 18612 8607 1 13 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.541 0.529 18612 8608 1 13 . 1 1 2 2 GLU CB C 2 29.500 29.500 28.739 0.761 18612 8609 1 13 . 1 1 2 2 GLU H H 2 8.498 8.498 8.762 -0.264 18612 8610 1 13 . 1 1 3 3 ARG N N 3 121.547 121.547 120.172 1.375 18612 8611 1 13 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.084 -0.060 18612 8612 1 13 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.853 0.387 18612 8613 1 13 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.753 0.198 18612 8614 1 13 . 1 1 3 3 ARG H H 3 8.238 8.238 8.265 -0.027 18612 8615 1 13 . 1 1 4 4 ALA N N 4 121.449 121.449 120.428 1.021 18612 8616 1 13 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.142 0.061 18612 8617 1 13 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.949 0.090 18612 8618 1 13 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.875 0.035 18612 8619 1 13 . 1 1 4 4 ALA H H 4 8.068 8.068 8.488 -0.420 18612 8620 1 13 . 1 1 5 5 ALA N N 5 121.000 121.000 121.852 -0.852 18612 8621 1 13 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.081 0.137 18612 8622 1 13 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.840 -0.097 18612 8623 1 13 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.247 0.163 18612 8624 1 13 . 1 1 5 5 ALA H H 5 7.831 7.831 7.394 0.437 18612 8625 1 13 . 1 1 6 6 LEU N N 6 121.402 121.402 117.957 3.445 18612 8626 1 13 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.998 0.163 18612 8627 1 13 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.174 -0.224 18612 8628 1 13 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.240 0.801 18612 8629 1 13 . 1 1 6 6 LEU H H 6 7.919 7.919 7.873 0.046 18612 8630 1 13 . 1 1 7 7 GLU N N 7 119.203 119.203 119.685 -0.482 18612 8631 1 13 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.890 -0.032 18612 8632 1 13 . 1 1 7 7 GLU CA C 7 60.230 60.230 59.999 0.231 18612 8633 1 13 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.465 0.076 18612 8634 1 13 . 1 1 7 7 GLU H H 7 8.706 8.706 8.474 0.232 18612 8635 1 13 . 1 1 8 8 GLU N N 8 120.194 120.194 119.788 0.406 18612 8636 1 13 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.167 0.028 18612 8637 1 13 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.508 0.662 18612 8638 1 13 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.256 0.204 18612 8639 1 13 . 1 1 8 8 GLU H H 8 7.761 7.761 7.745 0.016 18612 8640 1 13 . 1 1 9 9 LEU N N 9 120.526 120.526 120.954 -0.428 18612 8641 1 13 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.128 0.036 18612 8642 1 13 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.899 0.221 18612 8643 1 13 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.923 -0.135 18612 8644 1 13 . 1 1 9 9 LEU H H 9 7.913 7.913 7.730 0.183 18612 8645 1 13 . 1 1 10 10 VAL N N 10 120.804 120.804 120.060 0.744 18612 8646 1 13 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.633 -0.176 18612 8647 1 13 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.543 1.487 18612 8648 1 13 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.816 0.231 18612 8649 1 13 . 1 1 10 10 VAL H H 10 8.570 8.570 8.276 0.294 18612 8650 1 13 . 1 1 11 11 LYS N N 11 123.175 123.175 120.782 2.393 18612 8651 1 13 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.938 0.106 18612 8652 1 13 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.452 -0.582 18612 8653 1 13 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.390 0.002 18612 8654 1 13 . 1 1 11 11 LYS H H 11 7.909 7.909 7.689 0.220 18612 8655 1 13 . 1 1 12 12 LEU N N 12 120.772 120.772 115.925 4.847 18612 8656 1 13 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.125 -0.019 18612 8657 1 13 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.996 -0.076 18612 8658 1 13 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.135 0.702 18612 8659 1 13 . 1 1 12 12 LEU H H 12 8.436 8.436 7.753 0.683 18612 8660 1 13 . 1 1 13 13 GLN N N 13 121.677 121.677 120.092 1.585 18612 8661 1 13 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.036 0.298 18612 8662 1 13 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.670 -2.270 18612 8663 1 13 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.298 -1.778 18612 8664 1 13 . 1 1 13 13 GLN H H 13 8.710 8.710 7.843 0.867 18612 8665 1 13 . 1 1 14 14 GLY N N 14 109.543 109.543 107.430 2.113 18612 8666 1 13 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.130 0.433 18612 8667 1 13 . 1 1 14 14 GLY H H 14 8.714 8.714 8.769 -0.055 18612 8668 1 13 . 1 1 15 15 GLU N N 15 123.144 123.144 121.631 1.513 18612 8669 1 13 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.945 0.203 18612 8670 1 13 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.881 -0.911 18612 8671 1 13 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.397 0.063 18612 8672 1 13 . 1 1 15 15 GLU H H 15 7.913 7.913 7.884 0.029 18612 8673 1 13 . 1 1 16 16 ARG N N 16 123.135 123.135 120.303 2.832 18612 8674 1 13 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.153 -0.015 18612 8675 1 13 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.199 -0.229 18612 8676 1 13 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.404 -1.004 18612 8677 1 13 . 1 1 16 16 ARG H H 16 8.104 8.104 7.674 0.430 18612 8678 1 13 . 1 1 17 17 VAL N N 17 119.501 119.501 120.725 -1.224 18612 8679 1 13 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.729 -0.316 18612 8680 1 13 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.611 0.839 18612 8681 1 13 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.508 0.550 18612 8682 1 13 . 1 1 17 17 VAL H H 17 8.192 8.192 8.637 -0.445 18612 8683 1 13 . 1 1 18 18 ARG N N 18 119.372 119.372 119.584 -0.212 18612 8684 1 13 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.067 -0.133 18612 8685 1 13 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.811 0.249 18612 8686 1 13 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.948 0.324 18612 8687 1 13 . 1 1 18 18 ARG H H 18 7.980 7.980 8.803 -0.823 18612 8688 1 13 . 1 1 19 19 GLY N N 19 107.241 107.241 107.034 0.207 18612 8689 1 13 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.965 0.397 18612 8690 1 13 . 1 1 19 19 GLY H H 19 8.362 8.362 7.940 0.422 18612 8691 1 13 . 1 1 20 20 LEU N N 20 122.627 122.627 120.816 1.811 18612 8692 1 13 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.383 -0.334 18612 8693 1 13 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.290 0.600 18612 8694 1 13 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.979 0.441 18612 8695 1 13 . 1 1 20 20 LEU H H 20 8.049 8.049 8.415 -0.366 18612 8696 1 13 . 1 1 21 21 LYS N N 21 118.255 118.255 120.907 -2.652 18612 8697 1 13 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.857 0.201 18612 8698 1 13 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.844 0.166 18612 8699 1 13 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.158 0.436 18612 8700 1 13 . 1 1 21 21 LYS H H 21 8.123 8.123 8.490 -0.367 18612 8701 1 13 . 1 1 22 22 GLN N N 22 121.183 121.183 117.681 3.502 18612 8702 1 13 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.175 -0.088 18612 8703 1 13 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.461 0.299 18612 8704 1 13 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.104 -0.504 18612 8705 1 13 . 1 1 22 22 GLN H H 22 8.234 8.234 7.689 0.545 18612 8706 1 13 . 1 1 23 23 GLN N N 23 116.219 116.219 116.358 -0.139 18612 8707 1 13 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.280 -0.017 18612 8708 1 13 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.259 -1.581 18612 8709 1 13 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.881 -0.611 18612 8710 1 13 . 1 1 23 23 GLN H H 23 7.820 7.820 7.791 0.029 18612 8711 1 13 . 1 1 24 24 LYS N N 24 117.349 117.349 117.291 0.058 18612 8712 1 13 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.478 -0.566 18612 8713 1 13 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.246 1.784 18612 8714 1 13 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.066 -4.216 18612 8715 1 13 . 1 1 24 24 LYS H H 24 7.884 7.884 8.151 -0.267 18612 8716 1 13 . 1 1 25 25 ALA N N 25 119.909 119.909 122.117 -2.208 18612 8717 1 13 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.145 0.134 18612 8718 1 13 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.185 -1.165 18612 8719 1 13 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.214 3.106 18612 8720 1 13 . 1 1 25 25 ALA H H 25 7.620 7.620 7.736 -0.116 18612 8721 1 13 . 1 1 26 26 SER N N 26 113.188 113.188 110.821 2.367 18612 8722 1 13 . 1 1 26 26 SER HA H 26 4.244 4.244 4.293 -0.049 18612 8723 1 13 . 1 1 26 26 SER CA C 26 58.390 58.390 57.855 0.535 18612 8724 1 13 . 1 1 26 26 SER CB C 26 63.830 63.830 62.478 1.352 18612 8725 1 13 . 1 1 26 26 SER H H 26 8.228 8.228 8.264 -0.036 18612 8726 1 13 . 1 1 27 27 ALA N N 27 127.550 127.550 126.424 1.126 18612 8727 1 13 . 1 1 27 27 ALA HA H 27 3.984 3.984 4.079 -0.095 18612 8728 1 13 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.402 1.180 18612 8729 1 13 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.356 0.414 18612 8730 1 13 . 1 1 27 27 ALA H H 27 8.769 8.769 8.650 0.119 18612 8731 1 13 . 1 1 28 28 GLU N N 28 117.317 117.317 118.642 -1.325 18612 8732 1 13 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.145 -0.071 18612 8733 1 13 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.444 0.256 18612 8734 1 13 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.318 -0.238 18612 8735 1 13 . 1 1 28 28 GLU H H 28 8.830 8.830 8.737 0.093 18612 8736 1 13 . 1 1 29 29 LEU N N 29 122.971 122.971 120.560 2.411 18612 8737 1 13 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.186 0.125 18612 8738 1 13 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.289 0.281 18612 8739 1 13 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.727 -0.122 18612 8740 1 13 . 1 1 29 29 LEU H H 29 7.401 7.401 7.712 -0.311 18612 8741 1 13 . 1 1 30 30 ILE N N 30 118.784 118.784 120.197 -1.413 18612 8742 1 13 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.562 -0.165 18612 8743 1 13 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.621 0.689 18612 8744 1 13 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.573 0.250 18612 8745 1 13 . 1 1 30 30 ILE H H 30 8.019 8.019 9.023 -1.004 18612 8746 1 13 . 1 1 31 31 GLU N N 31 118.215 118.215 119.411 -1.196 18612 8747 1 13 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.871 0.097 18612 8748 1 13 . 1 1 31 31 GLU CA C 31 59.840 59.840 60.208 -0.368 18612 8749 1 13 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.418 0.022 18612 8750 1 13 . 1 1 31 31 GLU H H 31 8.367 8.367 8.355 0.012 18612 8751 1 13 . 1 1 32 32 GLU N N 32 120.284 120.284 119.856 0.428 18612 8752 1 13 . 1 1 32 32 GLU HA H 32 4.154 4.154 3.980 0.174 18612 8753 1 13 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.685 -0.305 18612 8754 1 13 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.628 0.212 18612 8755 1 13 . 1 1 32 32 GLU H H 32 7.667 7.667 7.789 -0.122 18612 8756 1 13 . 1 1 33 33 GLU N N 33 120.010 120.010 119.112 0.898 18612 8757 1 13 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.015 0.203 18612 8758 1 13 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.225 -0.845 18612 8759 1 13 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.591 -1.411 18612 8760 1 13 . 1 1 33 33 GLU H H 33 8.156 8.156 8.351 -0.195 18612 8761 1 13 . 1 1 34 34 VAL N N 34 125.322 125.322 120.274 5.048 18612 8762 1 13 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.633 0.009 18612 8763 1 13 . 1 1 34 34 VAL CA C 34 66.850 66.850 65.933 0.917 18612 8764 1 13 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.021 0.819 18612 8765 1 13 . 1 1 34 34 VAL H H 34 9.243 9.243 8.034 1.209 18612 8766 1 13 . 1 1 35 35 ALA N N 35 123.214 123.214 121.758 1.456 18612 8767 1 13 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.876 0.222 18612 8768 1 13 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.494 0.248 18612 8769 1 13 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.211 -0.961 18612 8770 1 13 . 1 1 35 35 ALA H H 35 8.160 8.160 8.323 -0.163 18612 8771 1 13 . 1 1 36 36 LYS N N 36 117.979 117.979 118.526 -0.547 18612 8772 1 13 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.982 0.013 18612 8773 1 13 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.416 0.384 18612 8774 1 13 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.241 0.621 18612 8775 1 13 . 1 1 36 36 LYS H H 36 7.607 7.607 7.661 -0.054 18612 8776 1 13 . 1 1 37 37 LEU N N 37 120.957 120.957 121.164 -0.207 18612 8777 1 13 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.051 -0.048 18612 8778 1 13 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.230 0.280 18612 8779 1 13 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.956 0.074 18612 8780 1 13 . 1 1 37 37 LEU H H 37 7.762 7.762 7.596 0.166 18612 8781 1 13 . 1 1 38 38 LEU N N 38 118.910 118.910 118.721 0.189 18612 8782 1 13 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.905 0.071 18612 8783 1 13 . 1 1 38 38 LEU CA C 38 58.270 58.270 57.946 0.324 18612 8784 1 13 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.075 -0.117 18612 8785 1 13 . 1 1 38 38 LEU H H 38 8.636 8.636 7.753 0.883 18612 8786 1 13 . 1 1 39 39 LYS N N 39 120.804 120.804 119.592 1.212 18612 8787 1 13 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.011 0.069 18612 8788 1 13 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.036 0.415 18612 8789 1 13 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.057 0.601 18612 8790 1 13 . 1 1 39 39 LYS H H 39 7.864 7.864 7.609 0.255 18612 8791 1 13 . 1 1 40 40 LEU N N 40 120.940 120.940 119.982 0.958 18612 8792 1 13 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.931 0.179 18612 8793 1 13 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.249 -0.309 18612 8794 1 13 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.535 1.551 18612 8795 1 13 . 1 1 40 40 LEU H H 40 7.831 7.831 8.135 -0.304 18612 8796 1 13 . 1 1 41 41 LYS N N 41 117.563 117.563 118.954 -1.391 18612 8797 1 13 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.905 -0.055 18612 8798 1 13 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.486 0.594 18612 8799 1 13 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.774 0.729 18612 8800 1 13 . 1 1 41 41 LYS H H 41 8.493 8.493 7.848 0.645 18612 8801 1 13 . 1 1 42 42 ALA N N 42 121.396 121.396 121.806 -0.410 18612 8802 1 13 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.034 0.155 18612 8803 1 13 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.527 -0.247 18612 8804 1 13 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.290 -0.390 18612 8805 1 13 . 1 1 42 42 ALA H H 42 7.918 7.918 7.694 0.224 18612 8806 1 13 . 1 1 43 43 GLN N N 43 116.883 116.883 117.528 -0.645 18612 8807 1 13 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.095 0.041 18612 8808 1 13 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.327 -0.916 18612 8809 1 13 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.943 0.637 18612 8810 1 13 . 1 1 43 43 GLN H H 43 7.591 7.591 7.467 0.124 18612 8811 1 13 . 1 1 44 44 LEU N N 44 119.828 119.828 117.705 2.123 18612 8812 1 13 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.030 0.178 18612 8813 1 13 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.554 -0.477 18612 8814 1 13 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.032 0.395 18612 8815 1 13 . 1 1 44 44 LEU H H 44 7.574 7.574 7.643 -0.069 18612 8816 1 13 . 1 1 45 45 GLY N N 45 106.906 106.906 105.700 1.206 18612 8817 1 13 . 1 1 45 45 GLY CA C 45 44.524 44.524 43.366 1.158 18612 8818 1 13 . 1 1 45 45 GLY H H 45 7.687 7.687 7.564 0.123 18612 8819 1 13 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.281 0.166 18612 8820 1 13 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.947 0.164 18612 8821 1 13 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.486 -0.056 18612 8822 1 13 . 1 1 47 47 ASP N N 47 121.060 121.060 118.996 2.064 18612 8823 1 13 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.804 -0.226 18612 8824 1 13 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.040 0.442 18612 8825 1 13 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.594 -1.591 18612 8826 1 13 . 1 1 47 47 ASP H H 47 8.446 8.446 8.487 -0.041 18612 8827 1 13 . 1 1 48 48 GLU N N 48 123.347 123.347 123.835 -0.488 18612 8828 1 13 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.361 -0.117 18612 8829 1 13 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.269 0.661 18612 8830 1 13 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.887 -0.340 18612 8831 1 13 . 1 1 48 48 GLU H H 48 8.577 8.577 8.519 0.058 18612 8832 1 13 . 1 1 49 49 SER N N 49 116.751 116.751 116.744 0.007 18612 8833 1 13 . 1 1 49 49 SER HA H 49 4.349 4.349 4.299 0.050 18612 8834 1 13 . 1 1 49 49 SER CA C 49 59.380 59.380 59.078 0.302 18612 8835 1 13 . 1 1 49 49 SER CB C 49 63.460 63.460 63.338 0.122 18612 8836 1 13 . 1 1 49 49 SER H H 49 8.399 8.399 8.084 0.315 18612 8837 1 13 . 1 1 50 50 LYS N N 50 121.935 121.935 123.382 -1.447 18612 8838 1 13 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.279 0.162 18612 8839 1 13 . 1 1 50 50 LYS CA C 50 56.520 56.520 55.832 0.688 18612 8840 1 13 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.197 -1.742 18612 8841 1 13 . 1 1 50 50 LYS H H 50 8.058 8.058 8.063 -0.005 18612 8842 1 13 . 1 1 51 51 GLN N N 51 122.155 122.155 124.797 -2.642 18612 8843 1 13 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.228 -0.025 18612 8844 1 13 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.540 0.669 18612 8845 1 13 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.634 1.154 18612 8846 1 13 . 1 1 51 51 GLN H H 51 8.273 8.273 8.416 -0.143 18612 8847 1 13 . 1 1 52 52 LYS N N 52 122.761 122.761 119.462 3.299 18612 8848 1 13 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.011 0.304 18612 8849 1 13 . 1 1 52 52 LYS CA C 52 56.480 56.480 57.170 -0.690 18612 8850 1 13 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.507 0.415 18612 8851 1 13 . 1 1 52 52 LYS H H 52 8.251 8.251 8.566 -0.315 18612 8852 1 13 . 1 1 53 53 PHE N N 53 121.326 121.326 119.270 2.056 18612 8853 1 13 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.725 -0.081 18612 8854 1 13 . 1 1 53 53 PHE CA C 53 57.640 57.640 55.805 1.835 18612 8855 1 13 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.007 0.581 18612 8856 1 13 . 1 1 53 53 PHE H H 53 8.153 8.153 7.662 0.491 18612 8857 1 13 . 1 1 54 54 VAL N N 54 122.941 122.941 119.517 3.424 18612 8858 1 13 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.064 -0.021 18612 8859 1 13 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.309 -0.328 18612 8860 1 13 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.363 0.818 18612 8861 1 13 . 1 1 54 54 VAL H H 54 7.960 7.960 7.938 0.022 18612 8862 1 13 . 1 1 55 55 LEU N N 55 126.751 126.751 125.505 1.246 18612 8863 1 13 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.567 -0.254 18612 8864 1 13 . 1 1 55 55 LEU CA C 55 55.060 55.060 53.877 1.183 18612 8865 1 13 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.821 -0.506 18612 8866 1 13 . 1 1 55 55 LEU H H 55 8.226 8.226 8.241 -0.015 18612 8867 1 13 . 1 1 56 56 LYS N N 56 123.614 123.614 124.595 -0.981 18612 8868 1 13 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.314 0.058 18612 8869 1 13 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.285 -0.373 18612 8870 1 13 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.704 0.487 18612 8871 1 13 . 1 1 56 56 LYS H H 56 8.320 8.320 8.595 -0.275 18612 8872 1 13 . 1 1 57 57 THR N N 57 115.794 115.794 116.016 -0.222 18612 8873 1 13 . 1 1 57 57 THR HA H 57 4.349 4.349 4.617 -0.268 18612 8874 1 13 . 1 1 57 57 THR CA C 57 58.960 58.960 59.399 -0.439 18612 8875 1 13 . 1 1 57 57 THR CB C 57 70.740 70.740 69.169 1.571 18612 8876 1 13 . 1 1 57 57 THR H H 57 7.892 7.892 8.021 -0.129 18612 8877 1 13 . 1 1 59 59 LYS N N 59 121.755 121.755 114.553 7.202 18612 8878 1 13 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.442 -0.215 18612 8879 1 13 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.129 1.391 18612 8880 1 13 . 1 1 59 59 LYS CB C 59 33.094 33.094 35.201 -2.107 18612 8881 1 13 . 1 1 59 59 LYS H H 59 8.300 8.300 7.338 0.962 18612 8882 1 13 . 1 1 60 60 ALA N N 60 125.263 125.263 122.499 2.764 18612 8883 1 13 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.465 -0.187 18612 8884 1 13 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.773 0.091 18612 8885 1 13 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.267 -0.287 18612 8886 1 13 . 1 1 60 60 ALA H H 60 8.290 8.290 8.552 -0.262 18612 8887 1 13 . 1 1 61 61 LEU N N 61 121.255 121.255 119.988 1.267 18612 8888 1 13 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.114 0.166 18612 8889 1 13 . 1 1 61 61 LEU CA C 61 55.585 55.585 56.969 -1.384 18612 8890 1 13 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.034 0.211 18612 8891 1 13 . 1 1 61 61 LEU H H 61 8.144 8.144 8.079 0.065 18612 8892 1 13 . 1 1 62 62 GLU N N 62 121.401 121.401 117.135 4.266 18612 8893 1 13 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.304 -0.028 18612 8894 1 13 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.356 0.574 18612 8895 1 13 . 1 1 62 62 GLU CB C 62 30.235 30.235 31.060 -0.825 18612 8896 1 13 . 1 1 62 62 GLU H H 62 8.266 8.266 7.886 0.380 18612 8897 1 13 . 1 1 64 64 LYS N N 64 120.575 120.575 120.178 0.397 18612 8898 1 13 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.441 -0.197 18612 8899 1 13 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.968 0.117 18612 8900 1 13 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.284 -3.814 18612 8901 1 13 . 1 1 64 64 LYS H H 64 8.106 8.106 8.346 -0.240 18612 8902 1 13 . 1 1 65 65 ILE N N 65 122.492 122.492 116.419 6.073 18612 8903 1 13 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.405 -0.265 18612 8904 1 13 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.129 0.051 18612 8905 1 13 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.042 -0.492 18612 8906 1 13 . 1 1 65 65 ILE H H 65 8.135 8.135 8.314 -0.179 18612 8907 1 13 . 1 1 66 66 ARG N N 66 125.714 125.714 119.517 6.197 18612 8908 1 13 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.548 -0.080 18612 8909 1 13 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.448 0.619 18612 8910 1 13 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.085 0.941 18612 8911 1 13 . 1 1 66 66 ARG H H 66 8.402 8.402 7.787 0.615 18612 8912 1 13 . 1 1 67 67 THR N N 67 115.622 115.622 115.311 0.311 18612 8913 1 13 . 1 1 67 67 THR HA H 67 4.445 4.445 4.646 -0.201 18612 8914 1 13 . 1 1 67 67 THR CA C 67 61.650 61.650 60.936 0.714 18612 8915 1 13 . 1 1 67 67 THR CB C 67 69.620 69.620 70.222 -0.603 18612 8916 1 13 . 1 1 67 67 THR H H 67 8.281 8.281 8.060 0.221 18612 8917 1 13 . 1 1 68 68 THR N N 68 116.774 116.774 111.560 5.214 18612 8918 1 13 . 1 1 68 68 THR HA H 68 4.503 4.503 4.435 0.068 18612 8919 1 13 . 1 1 68 68 THR CA C 68 61.050 61.050 63.620 -2.570 18612 8920 1 13 . 1 1 68 68 THR CB C 68 69.210 69.210 69.040 0.170 18612 8921 1 13 . 1 1 68 68 THR H H 68 8.076 8.076 8.426 -0.350 18612 8922 1 13 . 1 1 69 69 GLU N N 69 124.048 124.048 121.903 2.145 18612 8923 1 13 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.434 -0.058 18612 8924 1 13 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.534 -0.134 18612 8925 1 13 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.392 0.226 18612 8926 1 13 . 1 1 69 69 GLU H H 69 8.515 8.515 8.552 -0.037 18612 8927 1 13 . 1 1 70 70 THR N N 70 118.988 118.988 114.055 4.933 18612 8928 1 13 . 1 1 70 70 THR HA H 70 3.741 3.741 4.908 -1.167 18612 8929 1 13 . 1 1 70 70 THR CA C 70 64.680 64.680 61.397 3.283 18612 8930 1 13 . 1 1 70 70 THR CB C 70 68.770 68.770 71.307 -2.537 18612 8931 1 13 . 1 1 70 70 THR H H 70 8.259 8.259 7.358 0.901 18612 8932 1 13 . 1 1 71 71 GLN N N 71 125.858 125.858 129.064 -3.206 18612 8933 1 13 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.371 -0.077 18612 8934 1 13 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.534 -0.134 18612 8935 1 13 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.643 1.428 18612 8936 1 13 . 1 1 71 71 GLN H H 71 8.795 8.795 9.262 -0.467 18612 8937 1 13 . 1 1 72 72 VAL N N 72 113.505 113.505 111.029 2.476 18612 8938 1 13 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.141 -0.243 18612 8939 1 13 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.062 -0.442 18612 8940 1 13 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.369 0.035 18612 8941 1 13 . 1 1 72 72 VAL H H 72 7.325 7.325 7.370 -0.045 18612 8942 1 13 . 1 1 73 73 LEU N N 73 128.725 128.725 120.542 8.183 18612 8943 1 13 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.815 0.277 18612 8944 1 13 . 1 1 73 73 LEU CA C 73 52.740 52.740 52.872 -0.132 18612 8945 1 13 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.066 -0.985 18612 8946 1 13 . 1 1 73 73 LEU H H 73 8.170 8.170 7.931 0.239 18612 8947 1 13 . 1 1 74 74 VAL N N 74 127.634 127.634 124.270 3.364 18612 8948 1 13 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.731 0.035 18612 8949 1 13 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.320 0.770 18612 8950 1 13 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.559 -1.869 18612 8951 1 13 . 1 1 74 74 VAL H H 74 8.913 8.913 7.873 1.040 18612 8952 1 13 . 1 1 75 75 ALA N N 75 132.602 132.602 128.970 3.632 18612 8953 1 13 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.801 0.006 18612 8954 1 13 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.885 0.015 18612 8955 1 13 . 1 1 75 75 ALA CB C 75 23.920 23.920 21.551 2.369 18612 8956 1 13 . 1 1 75 75 ALA H H 75 9.421 9.421 8.759 0.662 18612 8957 1 13 . 1 1 76 76 SER N N 76 111.274 111.274 118.853 -7.579 18612 8958 1 13 . 1 1 76 76 SER HA H 76 4.951 4.951 4.712 0.239 18612 8959 1 13 . 1 1 76 76 SER CA C 76 56.940 56.940 57.054 -0.114 18612 8960 1 13 . 1 1 76 76 SER CB C 76 65.960 65.960 64.460 1.500 18612 8961 1 13 . 1 1 76 76 SER H H 76 8.106 8.106 8.661 -0.555 18612 8962 1 13 . 1 1 77 77 ALA N N 77 125.393 125.393 131.685 -6.292 18612 8963 1 13 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.499 -0.038 18612 8964 1 13 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.327 1.427 18612 8965 1 13 . 1 1 77 77 ALA CB C 77 19.740 19.740 17.892 1.848 18612 8966 1 13 . 1 1 77 77 ALA H H 77 9.004 9.004 8.836 0.168 18612 8967 1 13 . 1 1 78 78 GLN N N 78 116.290 116.290 120.382 -4.092 18612 8968 1 13 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.478 -0.035 18612 8969 1 13 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.620 1.010 18612 8970 1 13 . 1 1 78 78 GLN CB C 78 30.553 30.553 31.162 -0.609 18612 8971 1 13 . 1 1 78 78 GLN H H 78 7.985 7.985 7.573 0.412 18612 8972 1 13 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.422 0.141 18612 8973 1 13 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.720 -7.720 18612 8974 1 13 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.939 -1.918 18612 8975 1 13 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.581 0.217 18612 8976 1 13 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.000 -0.094 18612 8977 1 13 . 1 1 85 85 ARG N N 85 119.948 119.948 118.695 1.253 18612 8978 1 13 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.119 -0.248 18612 8979 1 13 . 1 1 85 85 ARG CA C 85 60.680 60.680 58.736 1.944 18612 8980 1 13 . 1 1 85 85 ARG CB C 85 31.921 31.921 30.063 1.858 18612 8981 1 13 . 1 1 85 85 ARG H H 85 8.229 8.229 7.684 0.545 18612 8982 1 13 . 1 1 86 86 LEU N N 86 120.227 120.227 121.406 -1.179 18612 8983 1 13 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.033 -0.207 18612 8984 1 13 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.224 -0.034 18612 8985 1 13 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.961 -0.373 18612 8986 1 13 . 1 1 86 86 LEU H H 86 8.459 8.459 7.992 0.467 18612 8987 1 13 . 1 1 87 87 LYS N N 87 120.470 120.470 119.492 0.978 18612 8988 1 13 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.979 0.042 18612 8989 1 13 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.956 -0.576 18612 8990 1 13 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.332 0.566 18612 8991 1 13 . 1 1 87 87 LYS H H 87 7.945 7.945 8.181 -0.236 18612 8992 1 13 . 1 1 88 88 LEU N N 88 119.799 119.799 120.684 -0.885 18612 8993 1 13 . 1 1 88 88 LEU HA H 88 4.207 4.207 3.974 0.233 18612 8994 1 13 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.078 -0.398 18612 8995 1 13 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.061 -0.836 18612 8996 1 13 . 1 1 88 88 LEU H H 88 7.547 7.547 7.732 -0.185 18612 8997 1 13 . 1 1 89 89 VAL N N 89 118.828 118.828 117.906 0.922 18612 8998 1 13 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.557 -0.239 18612 8999 1 13 . 1 1 89 89 VAL CA C 89 67.750 67.750 67.223 0.527 18612 9000 1 13 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.364 0.014 18612 9001 1 13 . 1 1 89 89 VAL H H 89 8.347 8.347 8.209 0.138 18612 9002 1 13 . 1 1 90 90 SER N N 90 114.835 114.835 116.053 -1.218 18612 9003 1 13 . 1 1 90 90 SER HA H 90 4.207 4.207 4.088 0.119 18612 9004 1 13 . 1 1 90 90 SER CA C 90 62.000 62.000 61.761 0.239 18612 9005 1 13 . 1 1 90 90 SER CB C 90 62.770 62.770 62.915 -0.145 18612 9006 1 13 . 1 1 90 90 SER H H 90 7.942 7.942 7.780 0.162 18612 9007 1 13 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.988 0.055 18612 9008 1 13 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.553 -0.113 18612 9009 1 13 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.559 0.675 18612 9010 1 13 . 1 1 92 92 LEU N N 92 119.720 119.720 120.352 -0.632 18612 9011 1 13 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.970 -0.022 18612 9012 1 13 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.692 -0.572 18612 9013 1 13 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.955 -1.379 18612 9014 1 13 . 1 1 92 92 LEU H H 92 8.379 8.379 8.394 -0.015 18612 9015 1 13 . 1 1 93 93 GLN N N 93 120.938 120.938 118.860 2.078 18612 9016 1 13 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.127 0.426 18612 9017 1 13 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.678 0.372 18612 9018 1 13 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.575 -0.595 18612 9019 1 13 . 1 1 93 93 GLN H H 93 8.751 8.751 8.206 0.545 18612 9020 1 13 . 1 1 94 94 ASP N N 94 122.442 122.442 119.238 3.204 18612 9021 1 13 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.545 -0.086 18612 9022 1 13 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.314 0.786 18612 9023 1 13 . 1 1 94 94 ASP CB C 94 40.261 40.261 40.952 -0.691 18612 9024 1 13 . 1 1 94 94 ASP H H 94 8.470 8.470 8.374 0.096 18612 9025 1 13 . 1 1 95 95 ALA N N 95 120.437 120.437 120.819 -0.382 18612 9026 1 13 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.452 0.060 18612 9027 1 13 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.381 -1.636 18612 9028 1 13 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.805 0.215 18612 9029 1 13 . 1 1 95 95 ALA H H 95 7.340 7.340 8.151 -0.811 18612 9030 1 13 . 1 1 96 96 GLY N N 96 106.865 106.865 106.679 0.186 18612 9031 1 13 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.786 0.504 18612 9032 1 13 . 1 1 96 96 GLY H H 96 7.987 7.987 8.013 -0.026 18612 9033 1 13 . 1 1 97 97 ILE N N 97 122.489 122.489 118.328 4.161 18612 9034 1 13 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.443 -0.189 18612 9035 1 13 . 1 1 97 97 ILE CA C 97 58.650 58.650 57.546 1.104 18612 9036 1 13 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.037 -3.064 18612 9037 1 13 . 1 1 97 97 ILE H H 97 8.062 8.062 7.542 0.520 18612 9038 1 13 . 1 1 98 98 LYS N N 98 127.459 127.459 122.015 5.444 18612 9039 1 13 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.399 0.108 18612 9040 1 13 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.517 0.404 18612 9041 1 13 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.126 0.308 18612 9042 1 13 . 1 1 98 98 LYS H H 98 8.574 8.574 8.584 -0.010 18612 9043 1 13 . 1 1 99 99 ALA N N 99 130.423 130.423 128.304 2.119 18612 9044 1 13 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.061 0.703 18612 9045 1 13 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.206 -0.996 18612 9046 1 13 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.974 3.896 18612 9047 1 13 . 1 1 99 99 ALA H H 99 7.813 7.813 8.392 -0.579 18612 9048 1 13 . 1 1 100 100 GLU N N 100 118.988 118.988 120.940 -1.952 18612 9049 1 13 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.558 0.277 18612 9050 1 13 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.060 -0.354 18612 9051 1 13 . 1 1 100 100 GLU CB C 100 35.921 35.921 32.356 3.564 18612 9052 1 13 . 1 1 100 100 GLU H H 100 8.226 8.226 8.467 -0.241 18612 9053 1 13 . 1 1 101 101 LEU N N 101 120.024 120.024 120.244 -0.220 18612 9054 1 13 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.508 0.206 18612 9055 1 13 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.307 1.453 18612 9056 1 13 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.069 1.015 18612 9057 1 13 . 1 1 101 101 LEU H H 101 8.478 8.478 8.221 0.257 18612 9058 1 13 . 1 1 102 102 LEU N N 102 118.623 118.623 118.054 0.569 18612 9059 1 13 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.161 -0.127 18612 9060 1 13 . 1 1 102 102 LEU CA C 102 58.460 58.460 56.060 2.400 18612 9061 1 13 . 1 1 102 102 LEU CB C 102 41.225 41.225 41.573 -0.348 18612 9062 1 13 . 1 1 102 102 LEU H H 102 8.763 8.763 7.914 0.849 18612 9063 1 13 . 1 1 103 103 TYR N N 103 115.970 115.970 117.731 -1.761 18612 9064 1 13 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.452 0.130 18612 9065 1 13 . 1 1 103 103 TYR CA C 103 55.973 55.973 59.633 -3.659 18612 9066 1 13 . 1 1 103 103 TYR CB C 103 38.732 38.732 39.610 -0.878 18612 9067 1 13 . 1 1 103 103 TYR H H 103 7.378 7.378 8.322 -0.944 18612 9068 1 13 . 1 1 104 104 LYS N N 104 120.577 120.577 118.507 2.070 18612 9069 1 13 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.450 -0.311 18612 9070 1 13 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.104 -0.624 18612 9071 1 13 . 1 1 104 104 LYS CB C 104 32.922 32.922 35.003 -2.081 18612 9072 1 13 . 1 1 104 104 LYS H H 104 7.906 7.906 7.945 -0.039 18612 9073 1 13 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.987 0.042 18612 9074 1 13 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.200 -0.201 18612 9075 1 13 . 1 1 113 113 LEU N N 113 120.147 120.147 121.012 -0.865 18612 9076 1 13 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.040 -0.057 18612 9077 1 13 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.076 0.344 18612 9078 1 13 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.987 -1.394 18612 9079 1 13 . 1 1 113 113 LEU H H 113 8.365 8.365 8.881 -0.516 18612 9080 1 13 . 1 1 114 114 GLN N N 114 119.995 119.995 118.519 1.476 18612 9081 1 13 . 1 1 114 114 GLN HA H 114 4.037 4.037 3.770 0.267 18612 9082 1 13 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.220 -0.250 18612 9083 1 13 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.438 -0.248 18612 9084 1 13 . 1 1 114 114 GLN H H 114 8.126 8.126 8.336 -0.210 18612 9085 1 13 . 1 1 115 115 TYR N N 115 120.358 120.358 119.673 0.685 18612 9086 1 13 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.570 -0.275 18612 9087 1 13 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.654 -0.624 18612 9088 1 13 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.772 -1.003 18612 9089 1 13 . 1 1 115 115 TYR H H 115 7.819 7.819 8.338 -0.519 18612 9090 1 13 . 1 1 116 116 CYS N N 116 116.264 116.264 119.941 -3.677 18612 9091 1 13 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.929 -0.113 18612 9092 1 13 . 1 1 116 116 CYS CA C 116 64.230 64.230 63.117 1.113 18612 9093 1 13 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.611 -0.291 18612 9094 1 13 . 1 1 116 116 CYS H H 116 7.710 7.710 7.891 -0.181 18612 9095 1 13 . 1 1 117 117 GLU N N 117 119.526 119.526 119.240 0.286 18612 9096 1 13 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.046 -0.198 18612 9097 1 13 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.201 -0.051 18612 9098 1 13 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.860 -0.160 18612 9099 1 13 . 1 1 117 117 GLU H H 117 7.912 7.912 8.075 -0.163 18612 9100 1 13 . 1 1 118 118 GLU N N 118 119.875 119.875 117.567 2.308 18612 9101 1 13 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.231 -0.262 18612 9102 1 13 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.267 0.513 18612 9103 1 13 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.954 -0.144 18612 9104 1 13 . 1 1 118 118 GLU H H 118 7.988 7.988 7.732 0.256 18612 9105 1 13 . 1 1 119 119 ALA N N 119 119.118 119.118 119.723 -0.605 18612 9106 1 13 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.007 0.159 18612 9107 1 13 . 1 1 119 119 ALA CA C 119 52.654 52.654 52.578 0.076 18612 9108 1 13 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.024 0.056 18612 9109 1 13 . 1 1 119 119 ALA H H 119 8.137 8.137 7.736 0.401 18612 9110 1 13 . 1 1 120 120 GLY N N 120 106.604 106.604 104.121 2.483 18612 9111 1 13 . 1 1 120 120 GLY CA C 120 46.377 46.377 43.740 2.637 18612 9112 1 13 . 1 1 120 120 GLY H H 120 7.550 7.550 7.641 -0.091 18612 9113 1 13 . 1 1 121 121 ILE N N 121 124.026 124.026 111.209 12.817 18612 9114 1 13 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.413 -0.402 18612 9115 1 13 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.401 0.649 18612 9116 1 13 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.316 3.735 18612 9117 1 13 . 1 1 121 121 ILE H H 121 7.918 7.918 8.169 -0.251 18612 9118 1 13 . 1 1 123 123 LEU N N 123 119.541 119.541 114.111 5.430 18612 9119 1 13 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.695 0.808 18612 9120 1 13 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.043 -0.357 18612 9121 1 13 . 1 1 123 123 LEU CB C 123 47.057 47.057 47.181 -0.124 18612 9122 1 13 . 1 1 123 123 LEU H H 123 6.973 6.973 7.680 -0.707 18612 9123 1 13 . 1 1 124 124 VAL N N 124 119.580 119.580 117.492 2.088 18612 9124 1 13 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.954 0.082 18612 9125 1 13 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.652 -1.072 18612 9126 1 13 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.787 -1.530 18612 9127 1 13 . 1 1 124 124 VAL H H 124 8.823 8.823 8.338 0.485 18612 9128 1 13 . 1 1 125 125 ALA N N 125 130.810 130.810 125.705 5.105 18612 9129 1 13 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.997 0.159 18612 9130 1 13 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.445 -2.250 18612 9131 1 13 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.697 -1.637 18612 9132 1 13 . 1 1 125 125 ALA H H 125 9.083 9.083 9.098 -0.015 18612 9133 1 13 . 1 1 126 126 ILE N N 126 124.925 124.925 124.079 0.846 18612 9134 1 13 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.147 -0.644 18612 9135 1 13 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.685 1.275 18612 9136 1 13 . 1 1 126 126 ILE CB C 126 39.805 39.805 40.802 -0.997 18612 9137 1 13 . 1 1 126 126 ILE H H 126 9.564 9.564 7.671 1.893 18612 9138 1 13 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.351 0.292 18612 9139 1 13 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.372 -0.932 18612 9140 1 13 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.497 2.505 18612 9141 1 13 . 1 1 129 129 GLU N N 129 121.547 121.547 118.039 3.508 18612 9142 1 13 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.484 -0.536 18612 9143 1 13 . 1 1 129 129 GLU CA C 129 60.400 60.400 56.603 3.797 18612 9144 1 13 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.291 1.011 18612 9145 1 13 . 1 1 129 129 GLU H H 129 9.035 9.035 8.228 0.807 18612 9146 1 13 . 1 1 130 130 GLN N N 130 120.221 120.221 121.146 -0.925 18612 9147 1 13 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.123 -0.246 18612 9148 1 13 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.382 -0.962 18612 9149 1 13 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.671 -0.271 18612 9150 1 13 . 1 1 130 130 GLN H H 130 8.914 8.914 8.600 0.314 18612 9151 1 13 . 1 1 131 131 GLU N N 131 120.680 120.680 119.680 1.000 18612 9152 1 13 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.233 -0.294 18612 9153 1 13 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.781 2.429 18612 9154 1 13 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.938 -0.768 18612 9155 1 13 . 1 1 131 131 GLU H H 131 8.871 8.871 8.554 0.317 18612 9156 1 13 . 1 1 132 132 LEU N N 132 118.303 118.303 118.116 0.187 18612 9157 1 13 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.238 0.124 18612 9158 1 13 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.689 -1.573 18612 9159 1 13 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.110 0.713 18612 9160 1 13 . 1 1 132 132 LEU H H 132 8.152 8.152 8.220 -0.068 18612 9161 1 13 . 1 1 133 133 LYS N N 133 120.924 120.924 118.231 2.693 18612 9162 1 13 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.145 -0.064 18612 9163 1 13 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.808 0.772 18612 9164 1 13 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.594 -0.122 18612 9165 1 13 . 1 1 133 133 LYS H H 133 7.631 7.631 7.534 0.097 18612 9166 1 13 . 1 1 134 134 ASP N N 134 118.256 118.256 117.397 0.859 18612 9167 1 13 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.614 0.055 18612 9168 1 13 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.757 -0.606 18612 9169 1 13 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.633 -0.252 18612 9170 1 13 . 1 1 134 134 ASP H H 134 7.985 7.985 7.811 0.174 18612 9171 1 13 . 1 1 135 135 GLY N N 135 109.383 109.383 106.869 2.514 18612 9172 1 13 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.127 1.435 18612 9173 1 13 . 1 1 135 135 GLY H H 135 8.019 8.019 7.970 0.049 18612 9174 1 13 . 1 1 136 136 VAL N N 136 117.112 117.112 121.016 -3.904 18612 9175 1 13 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.331 0.572 18612 9176 1 13 . 1 1 136 136 VAL CA C 136 59.950 59.950 60.743 -0.793 18612 9177 1 13 . 1 1 136 136 VAL CB C 136 35.885 35.885 34.487 1.398 18612 9178 1 13 . 1 1 136 136 VAL H H 136 8.229 8.229 8.098 0.131 18612 9179 1 13 . 1 1 137 137 ILE N N 137 121.971 121.971 122.736 -0.765 18612 9180 1 13 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.327 -0.153 18612 9181 1 13 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.580 -2.020 18612 9182 1 13 . 1 1 137 137 ILE CB C 137 40.789 40.789 42.196 -1.407 18612 9183 1 13 . 1 1 137 137 ILE H H 137 8.975 8.975 9.248 -0.273 18612 9184 1 13 . 1 1 138 138 LYS N N 138 126.613 126.613 127.470 -0.857 18612 9185 1 13 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.049 -0.125 18612 9186 1 13 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.258 0.457 18612 9187 1 13 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.082 -0.865 18612 9188 1 13 . 1 1 138 138 LYS H H 138 7.726 7.726 8.562 -0.836 18612 9189 1 13 . 1 1 139 139 LEU N N 139 129.177 129.177 124.755 4.422 18612 9190 1 13 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.849 0.354 18612 9191 1 13 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.049 0.241 18612 9192 1 13 . 1 1 139 139 LEU CB C 139 44.760 44.760 45.028 -0.268 18612 9193 1 13 . 1 1 139 139 LEU H H 139 9.404 9.404 8.886 0.518 18612 9194 1 13 . 1 1 140 140 ARG N N 140 128.243 128.243 127.373 0.870 18612 9195 1 13 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.641 0.621 18612 9196 1 13 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.371 -1.686 18612 9197 1 13 . 1 1 140 140 ARG CB C 140 27.990 27.990 31.745 -3.756 18612 9198 1 13 . 1 1 140 140 ARG H H 140 9.540 9.540 8.836 0.704 18612 9199 1 13 . 1 1 142 142 VAL N N 142 129.670 129.670 123.349 6.321 18612 9200 1 13 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.630 -0.083 18612 9201 1 13 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.819 0.131 18612 9202 1 13 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.551 1.137 18612 9203 1 13 . 1 1 142 142 VAL H H 142 8.336 8.336 7.695 0.641 18612 9204 1 13 . 1 1 143 143 THR N N 143 111.061 111.061 114.387 -3.326 18612 9205 1 13 . 1 1 143 143 THR HA H 143 4.157 4.157 4.114 0.043 18612 9206 1 13 . 1 1 143 143 THR CA C 143 69.400 69.400 64.531 4.869 18612 9207 1 13 . 1 1 143 143 THR CB C 143 70.020 70.020 68.891 1.128 18612 9208 1 13 . 1 1 143 143 THR H H 143 8.248 8.248 8.203 0.045 18612 9209 1 13 . 1 1 144 144 SER N N 144 115.158 115.158 115.544 -0.386 18612 9210 1 13 . 1 1 144 144 SER HA H 144 4.514 4.514 4.450 0.064 18612 9211 1 13 . 1 1 144 144 SER CA C 144 58.370 58.370 59.616 -1.246 18612 9212 1 13 . 1 1 144 144 SER CB C 144 64.500 64.500 63.697 0.803 18612 9213 1 13 . 1 1 144 144 SER H H 144 7.812 7.812 8.637 -0.825 18612 9214 1 13 . 1 1 145 145 ARG N N 145 116.527 116.527 120.454 -3.927 18612 9215 1 13 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.499 -0.673 18612 9216 1 13 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.043 3.257 18612 9217 1 13 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.817 -3.616 18612 9218 1 13 . 1 1 145 145 ARG H H 145 7.836 7.836 7.615 0.221 18612 9219 1 13 . 1 1 146 146 GLU N N 146 119.889 119.889 117.659 2.230 18612 9220 1 13 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.431 -0.162 18612 9221 1 13 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.880 0.050 18612 9222 1 13 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.772 -0.134 18612 9223 1 13 . 1 1 146 146 GLU H H 146 7.675 7.675 8.526 -0.851 18612 9224 1 13 . 1 1 147 147 GLU N N 147 124.286 124.286 119.434 4.852 18612 9225 1 13 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.679 0.640 18612 9226 1 13 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.351 -0.416 18612 9227 1 13 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.069 0.671 18612 9228 1 13 . 1 1 147 147 GLU H H 147 8.602 8.602 8.177 0.425 18612 9229 1 13 . 1 1 148 148 VAL N N 148 120.587 120.587 120.927 -0.340 18612 9230 1 13 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.383 0.151 18612 9231 1 13 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.796 -1.136 18612 9232 1 13 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.517 -0.827 18612 9233 1 13 . 1 1 148 148 VAL H H 148 8.536 8.536 7.996 0.540 18612 9234 1 13 . 1 1 149 149 ASP N N 149 125.031 125.031 124.864 0.167 18612 9235 1 13 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.829 0.325 18612 9236 1 13 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.058 -0.145 18612 9237 1 13 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.566 -0.785 18612 9238 1 13 . 1 1 149 149 ASP H H 149 8.411 8.411 8.383 0.028 18612 9239 1 13 . 1 1 150 150 VAL N N 150 123.264 123.264 120.248 3.016 18612 9240 1 13 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.708 -0.308 18612 9241 1 13 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.758 -0.118 18612 9242 1 13 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.746 -0.721 18612 9243 1 13 . 1 1 150 150 VAL H H 150 9.061 9.061 8.983 0.078 18612 9244 1 13 . 1 1 151 151 ARG N N 151 125.112 125.112 119.417 5.695 18612 9245 1 13 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.681 -0.273 18612 9246 1 13 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.467 2.643 18612 9247 1 13 . 1 1 151 151 ARG CB C 151 29.890 29.890 33.224 -3.334 18612 9248 1 13 . 1 1 151 151 ARG H H 151 9.048 9.048 8.490 0.558 18612 9249 1 13 . 1 1 152 152 ARG N N 152 124.828 124.828 126.645 -1.817 18612 9250 1 13 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.815 -0.149 18612 9251 1 13 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.881 -0.851 18612 9252 1 13 . 1 1 152 152 ARG CB C 152 30.010 30.010 30.046 -0.036 18612 9253 1 13 . 1 1 152 152 ARG H H 152 8.582 8.582 9.196 -0.614 18612 9254 1 13 . 1 1 153 153 GLU N N 153 116.730 116.730 117.893 -1.163 18612 9255 1 13 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.007 0.193 18612 9256 1 13 . 1 1 153 153 GLU CA C 153 58.970 58.970 60.083 -1.113 18612 9257 1 13 . 1 1 153 153 GLU CB C 153 28.580 28.580 28.877 -0.297 18612 9258 1 13 . 1 1 153 153 GLU H H 153 9.924 9.924 8.759 1.165 18612 9259 1 13 . 1 1 154 154 ASP N N 154 119.318 119.318 118.993 0.325 18612 9260 1 13 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.410 0.608 18612 9261 1 13 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.353 -2.961 18612 9262 1 13 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.514 1.776 18612 9263 1 13 . 1 1 154 154 ASP H H 154 7.758 7.758 8.092 -0.334 18612 9264 1 13 . 1 1 155 155 LEU N N 155 121.863 121.863 121.634 0.229 18612 9265 1 13 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.103 -0.288 18612 9266 1 13 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.185 0.985 18612 9267 1 13 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.200 0.428 18612 9268 1 13 . 1 1 155 155 LEU H H 155 7.315 7.315 8.388 -1.073 18612 9269 1 13 . 1 1 156 156 VAL N N 156 118.555 118.555 119.095 -0.540 18612 9270 1 13 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.594 -0.339 18612 9271 1 13 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.621 1.039 18612 9272 1 13 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.752 -0.522 18612 9273 1 13 . 1 1 156 156 VAL H H 156 8.490 8.490 8.006 0.484 18612 9274 1 13 . 1 1 157 157 GLU N N 157 118.568 118.568 118.966 -0.398 18612 9275 1 13 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.040 -0.130 18612 9276 1 13 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.519 -0.099 18612 9277 1 13 . 1 1 157 157 GLU H H 157 8.138 8.138 7.901 0.237 18612 9278 1 13 . 1 1 158 158 GLU N N 158 118.484 118.484 119.582 -1.098 18612 9279 1 13 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.085 0.055 18612 9280 1 13 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.779 -2.489 18612 9281 1 13 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.621 -0.147 18612 9282 1 13 . 1 1 158 158 GLU H H 158 8.138 8.138 8.044 0.094 18612 9283 1 13 . 1 1 159 159 ILE N N 159 119.508 119.508 118.265 1.243 18612 9284 1 13 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.838 -0.410 18612 9285 1 13 . 1 1 159 159 ILE CA C 159 65.890 65.890 64.312 1.578 18612 9286 1 13 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.493 -7.493 18612 9287 1 13 . 1 1 159 159 ILE H H 159 8.482 8.482 7.912 0.570 18612 9288 1 13 . 1 1 160 160 LYS N N 160 121.513 121.513 121.692 -0.179 18612 9289 1 13 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.921 -0.143 18612 9290 1 13 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.954 0.896 18612 9291 1 13 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.572 -0.322 18612 9292 1 13 . 1 1 160 160 LYS H H 160 8.424 8.424 7.941 0.483 18612 9293 1 13 . 1 1 161 161 ARG N N 161 118.966 118.966 115.979 2.987 18612 9294 1 13 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.131 -0.062 18612 9295 1 13 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.658 0.672 18612 9296 1 13 . 1 1 161 161 ARG CB C 161 30.892 30.892 29.716 1.176 18612 9297 1 13 . 1 1 161 161 ARG H H 161 8.248 8.248 8.198 0.050 18612 9298 1 13 . 1 1 162 162 ARG N N 162 117.033 117.033 120.149 -3.116 18612 9299 1 13 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.096 0.146 18612 9300 1 13 . 1 1 162 162 ARG CA C 162 58.058 58.058 59.356 -1.298 18612 9301 1 13 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.592 1.198 18612 9302 1 13 . 1 1 162 162 ARG H H 162 7.811 7.811 7.936 -0.125 18612 9303 1 13 . 1 1 163 163 THR N N 163 108.588 108.588 107.495 1.093 18612 9304 1 13 . 1 1 163 163 THR HA H 163 4.549 4.549 4.412 0.137 18612 9305 1 13 . 1 1 163 163 THR CA C 163 61.820 61.820 61.839 -0.019 18612 9306 1 13 . 1 1 163 163 THR CB C 163 70.020 70.020 68.883 1.137 18612 9307 1 13 . 1 1 163 163 THR H H 163 7.831 7.831 7.940 -0.109 18612 9308 1 13 . 1 1 164 164 GLY N N 164 110.640 110.640 109.358 1.282 18612 9309 1 13 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.671 1.042 18612 9310 1 13 . 1 1 164 164 GLY H H 164 7.847 7.847 7.376 0.471 18612 9311 1 13 . 1 1 165 165 GLN N N 165 120.993 120.993 119.971 1.022 18612 9312 1 13 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.058 -0.116 18612 9313 1 13 . 1 1 165 165 GLN CA C 165 56.077 56.077 55.425 0.652 18612 9314 1 13 . 1 1 165 165 GLN CB C 165 29.569 29.569 28.117 1.452 18612 9315 1 13 . 1 1 165 165 GLN H H 165 8.141 8.141 8.480 -0.339 18612 9316 1 13 . 1 1 167 167 LEU N N 167 122.540 122.540 124.350 -1.810 18612 9317 1 13 . 1 1 167 167 LEU H H 167 8.370 8.370 8.724 -0.354 18612 9318 1 13 . 1 1 168 168 SER N N 168 116.635 116.635 116.714 -0.079 18612 9319 1 13 . 1 1 168 168 SER H H 168 8.269 8.269 8.085 0.184 18612 9320 1 13 . 1 1 169 169 ILE N N 169 122.767 122.767 120.735 2.032 18612 9321 1 13 . 1 1 169 169 ILE H H 169 8.165 8.165 8.221 -0.056 18612 9322 1 14 . 1 1 2 2 GLU N N 2 120.329 120.329 121.660 -1.331 18612 9323 1 14 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.284 -0.142 18612 9324 1 14 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.055 1.015 18612 9325 1 14 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.160 -0.660 18612 9326 1 14 . 1 1 2 2 GLU H H 2 8.498 8.498 8.836 -0.338 18612 9327 1 14 . 1 1 3 3 ARG N N 3 121.547 121.547 119.314 2.233 18612 9328 1 14 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.037 -0.013 18612 9329 1 14 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.710 -0.470 18612 9330 1 14 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.887 0.063 18612 9331 1 14 . 1 1 3 3 ARG H H 3 8.238 8.238 8.427 -0.189 18612 9332 1 14 . 1 1 4 4 ALA N N 4 121.449 121.449 119.840 1.609 18612 9333 1 14 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.151 0.052 18612 9334 1 14 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.877 0.162 18612 9335 1 14 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.145 -0.235 18612 9336 1 14 . 1 1 4 4 ALA H H 4 8.068 8.068 8.437 -0.369 18612 9337 1 14 . 1 1 5 5 ALA N N 5 121.000 121.000 121.650 -0.650 18612 9338 1 14 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.355 -0.137 18612 9339 1 14 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.603 0.140 18612 9340 1 14 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.573 -0.163 18612 9341 1 14 . 1 1 5 5 ALA H H 5 7.831 7.831 7.628 0.203 18612 9342 1 14 . 1 1 6 6 LEU N N 6 121.402 121.402 117.656 3.746 18612 9343 1 14 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.107 0.054 18612 9344 1 14 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.103 -0.153 18612 9345 1 14 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.355 0.686 18612 9346 1 14 . 1 1 6 6 LEU H H 6 7.919 7.919 7.704 0.215 18612 9347 1 14 . 1 1 7 7 GLU N N 7 119.203 119.203 120.297 -1.094 18612 9348 1 14 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.891 -0.033 18612 9349 1 14 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.199 0.031 18612 9350 1 14 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.646 -0.106 18612 9351 1 14 . 1 1 7 7 GLU H H 7 8.706 8.706 8.151 0.555 18612 9352 1 14 . 1 1 8 8 GLU N N 8 120.194 120.194 118.337 1.857 18612 9353 1 14 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.113 0.082 18612 9354 1 14 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.750 0.420 18612 9355 1 14 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.212 0.248 18612 9356 1 14 . 1 1 8 8 GLU H H 8 7.761 7.761 7.970 -0.209 18612 9357 1 14 . 1 1 9 9 LEU N N 9 120.526 120.526 121.614 -1.088 18612 9358 1 14 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.093 0.071 18612 9359 1 14 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.803 0.317 18612 9360 1 14 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.910 -0.122 18612 9361 1 14 . 1 1 9 9 LEU H H 9 7.913 7.913 7.629 0.284 18612 9362 1 14 . 1 1 10 10 VAL N N 10 120.804 120.804 119.550 1.254 18612 9363 1 14 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.659 -0.202 18612 9364 1 14 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.431 1.599 18612 9365 1 14 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.909 0.138 18612 9366 1 14 . 1 1 10 10 VAL H H 10 8.570 8.570 8.353 0.217 18612 9367 1 14 . 1 1 11 11 LYS N N 11 123.175 123.175 120.522 2.653 18612 9368 1 14 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.907 0.137 18612 9369 1 14 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.333 -0.463 18612 9370 1 14 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.298 0.094 18612 9371 1 14 . 1 1 11 11 LYS H H 11 7.909 7.909 7.716 0.193 18612 9372 1 14 . 1 1 12 12 LEU N N 12 120.772 120.772 116.195 4.577 18612 9373 1 14 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.123 -0.017 18612 9374 1 14 . 1 1 12 12 LEU CA C 12 57.920 57.920 58.125 -0.205 18612 9375 1 14 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.135 0.702 18612 9376 1 14 . 1 1 12 12 LEU H H 12 8.436 8.436 7.802 0.634 18612 9377 1 14 . 1 1 13 13 GLN N N 13 121.677 121.677 120.286 1.391 18612 9378 1 14 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.098 0.236 18612 9379 1 14 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.344 -1.944 18612 9380 1 14 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.603 -2.083 18612 9381 1 14 . 1 1 13 13 GLN H H 13 8.710 8.710 7.859 0.851 18612 9382 1 14 . 1 1 14 14 GLY N N 14 109.543 109.543 108.132 1.411 18612 9383 1 14 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.886 0.676 18612 9384 1 14 . 1 1 14 14 GLY H H 14 8.714 8.714 8.665 0.049 18612 9385 1 14 . 1 1 15 15 GLU N N 15 123.144 123.144 122.344 0.800 18612 9386 1 14 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.947 0.201 18612 9387 1 14 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.879 -0.909 18612 9388 1 14 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.445 0.015 18612 9389 1 14 . 1 1 15 15 GLU H H 15 7.913 7.913 7.866 0.047 18612 9390 1 14 . 1 1 16 16 ARG N N 16 123.135 123.135 119.406 3.729 18612 9391 1 14 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.122 0.016 18612 9392 1 14 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.119 -0.149 18612 9393 1 14 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.073 -0.673 18612 9394 1 14 . 1 1 16 16 ARG H H 16 8.104 8.104 7.824 0.280 18612 9395 1 14 . 1 1 17 17 VAL N N 17 119.501 119.501 120.064 -0.563 18612 9396 1 14 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.722 -0.309 18612 9397 1 14 . 1 1 17 17 VAL CA C 17 67.450 67.450 65.826 1.624 18612 9398 1 14 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.548 0.510 18612 9399 1 14 . 1 1 17 17 VAL H H 17 8.192 8.192 7.939 0.253 18612 9400 1 14 . 1 1 18 18 ARG N N 18 119.372 119.372 119.328 0.044 18612 9401 1 14 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.074 -0.140 18612 9402 1 14 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.425 0.635 18612 9403 1 14 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.575 0.697 18612 9404 1 14 . 1 1 18 18 ARG H H 18 7.980 7.980 8.688 -0.708 18612 9405 1 14 . 1 1 19 19 GLY N N 19 107.241 107.241 107.832 -0.591 18612 9406 1 14 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.164 0.198 18612 9407 1 14 . 1 1 19 19 GLY H H 19 8.362 8.362 7.879 0.483 18612 9408 1 14 . 1 1 20 20 LEU N N 20 122.627 122.627 119.595 3.032 18612 9409 1 14 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.322 -0.273 18612 9410 1 14 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.537 0.353 18612 9411 1 14 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.569 0.851 18612 9412 1 14 . 1 1 20 20 LEU H H 20 8.049 8.049 7.713 0.336 18612 9413 1 14 . 1 1 21 21 LYS N N 21 118.255 118.255 120.534 -2.279 18612 9414 1 14 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.847 0.211 18612 9415 1 14 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.680 0.330 18612 9416 1 14 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.035 0.559 18612 9417 1 14 . 1 1 21 21 LYS H H 21 8.123 8.123 8.576 -0.453 18612 9418 1 14 . 1 1 22 22 GLN N N 22 121.183 121.183 116.883 4.300 18612 9419 1 14 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.192 -0.105 18612 9420 1 14 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.383 0.377 18612 9421 1 14 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.120 -0.520 18612 9422 1 14 . 1 1 22 22 GLN H H 22 8.234 8.234 7.615 0.619 18612 9423 1 14 . 1 1 23 23 GLN N N 23 116.219 116.219 118.284 -2.065 18612 9424 1 14 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.266 -0.003 18612 9425 1 14 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.396 -1.718 18612 9426 1 14 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.661 -0.391 18612 9427 1 14 . 1 1 23 23 GLN H H 23 7.820 7.820 7.923 -0.103 18612 9428 1 14 . 1 1 24 24 LYS N N 24 117.349 117.349 116.203 1.146 18612 9429 1 14 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.486 -0.574 18612 9430 1 14 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.691 1.339 18612 9431 1 14 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.677 -4.827 18612 9432 1 14 . 1 1 24 24 LYS H H 24 7.884 7.884 8.057 -0.173 18612 9433 1 14 . 1 1 25 25 ALA N N 25 119.909 119.909 121.424 -1.515 18612 9434 1 14 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.025 0.254 18612 9435 1 14 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.251 -1.231 18612 9436 1 14 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.142 4.178 18612 9437 1 14 . 1 1 25 25 ALA H H 25 7.620 7.620 7.866 -0.246 18612 9438 1 14 . 1 1 26 26 SER N N 26 113.188 113.188 114.896 -1.708 18612 9439 1 14 . 1 1 26 26 SER HA H 26 4.244 4.244 4.087 0.157 18612 9440 1 14 . 1 1 26 26 SER CA C 26 58.390 58.390 61.133 -2.743 18612 9441 1 14 . 1 1 26 26 SER CB C 26 63.830 63.830 63.659 0.171 18612 9442 1 14 . 1 1 26 26 SER H H 26 8.228 8.228 8.059 0.169 18612 9443 1 14 . 1 1 27 27 ALA N N 27 127.550 127.550 121.489 6.061 18612 9444 1 14 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.914 0.070 18612 9445 1 14 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.042 1.540 18612 9446 1 14 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.202 1.568 18612 9447 1 14 . 1 1 27 27 ALA H H 27 8.769 8.769 8.117 0.652 18612 9448 1 14 . 1 1 28 28 GLU N N 28 117.317 117.317 119.740 -2.423 18612 9449 1 14 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.081 -0.007 18612 9450 1 14 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.262 0.438 18612 9451 1 14 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.747 -0.666 18612 9452 1 14 . 1 1 28 28 GLU H H 28 8.830 8.830 8.055 0.775 18612 9453 1 14 . 1 1 29 29 LEU N N 29 122.971 122.971 116.200 6.771 18612 9454 1 14 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.382 -0.071 18612 9455 1 14 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.345 0.225 18612 9456 1 14 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.336 0.269 18612 9457 1 14 . 1 1 29 29 LEU H H 29 7.401 7.401 7.996 -0.595 18612 9458 1 14 . 1 1 30 30 ILE N N 30 118.784 118.784 120.120 -1.336 18612 9459 1 14 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.626 -0.229 18612 9460 1 14 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.426 0.884 18612 9461 1 14 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.463 0.360 18612 9462 1 14 . 1 1 30 30 ILE H H 30 8.019 8.019 7.808 0.211 18612 9463 1 14 . 1 1 31 31 GLU N N 31 118.215 118.215 119.312 -1.097 18612 9464 1 14 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.021 -0.053 18612 9465 1 14 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.695 0.145 18612 9466 1 14 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.387 0.053 18612 9467 1 14 . 1 1 31 31 GLU H H 31 8.367 8.367 8.384 -0.017 18612 9468 1 14 . 1 1 32 32 GLU N N 32 120.284 120.284 119.351 0.933 18612 9469 1 14 . 1 1 32 32 GLU HA H 32 4.154 4.154 3.996 0.158 18612 9470 1 14 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.738 -0.358 18612 9471 1 14 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.613 0.227 18612 9472 1 14 . 1 1 32 32 GLU H H 32 7.667 7.667 7.866 -0.199 18612 9473 1 14 . 1 1 33 33 GLU N N 33 120.010 120.010 118.737 1.273 18612 9474 1 14 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.155 0.063 18612 9475 1 14 . 1 1 33 33 GLU CA C 33 58.380 58.380 58.952 -0.572 18612 9476 1 14 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.563 -1.383 18612 9477 1 14 . 1 1 33 33 GLU H H 33 8.156 8.156 8.119 0.037 18612 9478 1 14 . 1 1 34 34 VAL N N 34 125.322 125.322 120.473 4.849 18612 9479 1 14 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.691 -0.049 18612 9480 1 14 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.610 0.240 18612 9481 1 14 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.051 0.789 18612 9482 1 14 . 1 1 34 34 VAL H H 34 9.243 9.243 7.997 1.246 18612 9483 1 14 . 1 1 35 35 ALA N N 35 123.214 123.214 121.531 1.683 18612 9484 1 14 . 1 1 35 35 ALA HA H 35 4.098 4.098 4.019 0.079 18612 9485 1 14 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.361 0.381 18612 9486 1 14 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.396 -1.146 18612 9487 1 14 . 1 1 35 35 ALA H H 35 8.160 8.160 8.133 0.027 18612 9488 1 14 . 1 1 36 36 LYS N N 36 117.979 117.979 119.382 -1.403 18612 9489 1 14 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.986 0.009 18612 9490 1 14 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.408 0.392 18612 9491 1 14 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.262 0.600 18612 9492 1 14 . 1 1 36 36 LYS H H 36 7.607 7.607 7.660 -0.053 18612 9493 1 14 . 1 1 37 37 LEU N N 37 120.957 120.957 120.936 0.021 18612 9494 1 14 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.005 -0.002 18612 9495 1 14 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.860 -0.350 18612 9496 1 14 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.965 0.065 18612 9497 1 14 . 1 1 37 37 LEU H H 37 7.762 7.762 8.410 -0.648 18612 9498 1 14 . 1 1 38 38 LEU N N 38 118.910 118.910 119.763 -0.853 18612 9499 1 14 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.932 0.044 18612 9500 1 14 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.190 0.080 18612 9501 1 14 . 1 1 38 38 LEU CB C 38 40.958 40.958 40.925 0.033 18612 9502 1 14 . 1 1 38 38 LEU H H 38 8.636 8.636 7.824 0.812 18612 9503 1 14 . 1 1 39 39 LYS N N 39 120.804 120.804 119.026 1.778 18612 9504 1 14 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.103 -0.023 18612 9505 1 14 . 1 1 39 39 LYS CA C 39 59.451 59.451 58.626 0.825 18612 9506 1 14 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.350 0.308 18612 9507 1 14 . 1 1 39 39 LYS H H 39 7.864 7.864 8.009 -0.145 18612 9508 1 14 . 1 1 40 40 LEU N N 40 120.940 120.940 120.708 0.232 18612 9509 1 14 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.970 0.140 18612 9510 1 14 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.531 -0.591 18612 9511 1 14 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.788 1.298 18612 9512 1 14 . 1 1 40 40 LEU H H 40 7.831 7.831 8.280 -0.449 18612 9513 1 14 . 1 1 41 41 LYS N N 41 117.563 117.563 118.883 -1.320 18612 9514 1 14 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.985 -0.135 18612 9515 1 14 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.492 0.588 18612 9516 1 14 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.942 0.561 18612 9517 1 14 . 1 1 41 41 LYS H H 41 8.493 8.493 8.518 -0.025 18612 9518 1 14 . 1 1 42 42 ALA N N 42 121.396 121.396 121.794 -0.398 18612 9519 1 14 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.183 0.006 18612 9520 1 14 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.408 -0.129 18612 9521 1 14 . 1 1 42 42 ALA CB C 42 17.900 17.900 17.902 -0.002 18612 9522 1 14 . 1 1 42 42 ALA H H 42 7.918 7.918 7.679 0.239 18612 9523 1 14 . 1 1 43 43 GLN N N 43 116.883 116.883 117.261 -0.378 18612 9524 1 14 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.114 0.022 18612 9525 1 14 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.233 -0.824 18612 9526 1 14 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.312 0.268 18612 9527 1 14 . 1 1 43 43 GLN H H 43 7.591 7.591 7.526 0.065 18612 9528 1 14 . 1 1 44 44 LEU N N 44 119.828 119.828 118.014 1.814 18612 9529 1 14 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.014 0.194 18612 9530 1 14 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.745 -0.668 18612 9531 1 14 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.706 0.721 18612 9532 1 14 . 1 1 44 44 LEU H H 44 7.574 7.574 7.651 -0.077 18612 9533 1 14 . 1 1 45 45 GLY N N 45 106.906 106.906 106.286 0.620 18612 9534 1 14 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.763 -0.239 18612 9535 1 14 . 1 1 45 45 GLY H H 45 7.687 7.687 7.489 0.198 18612 9536 1 14 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.365 0.082 18612 9537 1 14 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.738 0.372 18612 9538 1 14 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.104 0.326 18612 9539 1 14 . 1 1 47 47 ASP N N 47 121.060 121.060 119.903 1.157 18612 9540 1 14 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.731 -0.153 18612 9541 1 14 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.393 0.089 18612 9542 1 14 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.537 -0.534 18612 9543 1 14 . 1 1 47 47 ASP H H 47 8.446 8.446 8.481 -0.035 18612 9544 1 14 . 1 1 48 48 GLU N N 48 123.347 123.347 124.602 -1.255 18612 9545 1 14 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.291 -0.047 18612 9546 1 14 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.532 0.397 18612 9547 1 14 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.924 -0.377 18612 9548 1 14 . 1 1 48 48 GLU H H 48 8.577 8.577 8.811 -0.234 18612 9549 1 14 . 1 1 49 49 SER N N 49 116.751 116.751 115.190 1.561 18612 9550 1 14 . 1 1 49 49 SER HA H 49 4.349 4.349 4.255 0.094 18612 9551 1 14 . 1 1 49 49 SER CA C 49 59.380 59.380 59.985 -0.605 18612 9552 1 14 . 1 1 49 49 SER CB C 49 63.460 63.460 63.546 -0.086 18612 9553 1 14 . 1 1 49 49 SER H H 49 8.399 8.399 8.222 0.177 18612 9554 1 14 . 1 1 50 50 LYS N N 50 121.935 121.935 122.921 -0.986 18612 9555 1 14 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.232 0.209 18612 9556 1 14 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.725 -1.205 18612 9557 1 14 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.833 -2.378 18612 9558 1 14 . 1 1 50 50 LYS H H 50 8.058 8.058 7.795 0.263 18612 9559 1 14 . 1 1 51 51 GLN N N 51 122.155 122.155 121.067 1.088 18612 9560 1 14 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.517 -0.314 18612 9561 1 14 . 1 1 51 51 GLN CA C 51 57.209 57.209 55.592 1.617 18612 9562 1 14 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.360 1.429 18612 9563 1 14 . 1 1 51 51 GLN H H 51 8.273 8.273 8.397 -0.124 18612 9564 1 14 . 1 1 52 52 LYS N N 52 122.761 122.761 120.843 1.918 18612 9565 1 14 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.653 -0.338 18612 9566 1 14 . 1 1 52 52 LYS CA C 52 56.480 56.480 56.472 0.008 18612 9567 1 14 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.619 -0.697 18612 9568 1 14 . 1 1 52 52 LYS H H 52 8.251 8.251 7.914 0.337 18612 9569 1 14 . 1 1 53 53 PHE N N 53 121.326 121.326 118.858 2.468 18612 9570 1 14 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.211 0.433 18612 9571 1 14 . 1 1 53 53 PHE CA C 53 57.640 57.640 58.788 -1.148 18612 9572 1 14 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.203 1.385 18612 9573 1 14 . 1 1 53 53 PHE H H 53 8.153 8.153 8.888 -0.735 18612 9574 1 14 . 1 1 54 54 VAL N N 54 122.941 122.941 119.991 2.950 18612 9575 1 14 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.216 -0.173 18612 9576 1 14 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.213 -0.233 18612 9577 1 14 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.942 1.239 18612 9578 1 14 . 1 1 54 54 VAL H H 54 7.960 7.960 7.962 -0.002 18612 9579 1 14 . 1 1 55 55 LEU N N 55 126.751 126.751 126.002 0.749 18612 9580 1 14 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.495 -0.182 18612 9581 1 14 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.214 -0.154 18612 9582 1 14 . 1 1 55 55 LEU CB C 55 42.315 42.315 43.359 -1.044 18612 9583 1 14 . 1 1 55 55 LEU H H 55 8.226 8.226 8.614 -0.388 18612 9584 1 14 . 1 1 56 56 LYS N N 56 123.614 123.614 121.307 2.307 18612 9585 1 14 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.546 -0.174 18612 9586 1 14 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.063 -0.151 18612 9587 1 14 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.699 -0.508 18612 9588 1 14 . 1 1 56 56 LYS H H 56 8.320 8.320 8.012 0.308 18612 9589 1 14 . 1 1 57 57 THR N N 57 115.794 115.794 114.016 1.778 18612 9590 1 14 . 1 1 57 57 THR HA H 57 4.349 4.349 4.692 -0.343 18612 9591 1 14 . 1 1 57 57 THR CA C 57 58.960 58.960 58.773 0.187 18612 9592 1 14 . 1 1 57 57 THR CB C 57 70.740 70.740 69.788 0.952 18612 9593 1 14 . 1 1 57 57 THR H H 57 7.892 7.892 8.151 -0.259 18612 9594 1 14 . 1 1 59 59 LYS N N 59 121.755 121.755 121.901 -0.146 18612 9595 1 14 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.456 -0.229 18612 9596 1 14 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.102 0.418 18612 9597 1 14 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.360 0.734 18612 9598 1 14 . 1 1 59 59 LYS H H 59 8.300 8.300 8.334 -0.034 18612 9599 1 14 . 1 1 60 60 ALA N N 60 125.263 125.263 127.064 -1.801 18612 9600 1 14 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.361 -0.083 18612 9601 1 14 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.212 0.652 18612 9602 1 14 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.242 -0.262 18612 9603 1 14 . 1 1 60 60 ALA H H 60 8.290 8.290 8.737 -0.447 18612 9604 1 14 . 1 1 61 61 LEU N N 61 121.255 121.255 122.179 -0.924 18612 9605 1 14 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.280 0.000 18612 9606 1 14 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.474 1.111 18612 9607 1 14 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.641 -0.396 18612 9608 1 14 . 1 1 61 61 LEU H H 61 8.144 8.144 8.009 0.135 18612 9609 1 14 . 1 1 62 62 GLU N N 62 121.401 121.401 120.382 1.019 18612 9610 1 14 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.474 -0.198 18612 9611 1 14 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.804 1.125 18612 9612 1 14 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.360 -0.125 18612 9613 1 14 . 1 1 62 62 GLU H H 62 8.266 8.266 8.345 -0.079 18612 9614 1 14 . 1 1 64 64 LYS N N 64 120.575 120.575 120.459 0.116 18612 9615 1 14 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.687 -0.443 18612 9616 1 14 . 1 1 64 64 LYS CA C 64 56.085 56.085 57.358 -1.273 18612 9617 1 14 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.196 -3.726 18612 9618 1 14 . 1 1 64 64 LYS H H 64 8.106 8.106 8.504 -0.398 18612 9619 1 14 . 1 1 65 65 ILE N N 65 122.492 122.492 118.309 4.183 18612 9620 1 14 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.177 -0.037 18612 9621 1 14 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.835 -0.655 18612 9622 1 14 . 1 1 65 65 ILE CB C 65 38.550 38.550 38.580 -0.030 18612 9623 1 14 . 1 1 65 65 ILE H H 65 8.135 8.135 7.753 0.382 18612 9624 1 14 . 1 1 66 66 ARG N N 66 125.714 125.714 126.322 -0.608 18612 9625 1 14 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.404 0.064 18612 9626 1 14 . 1 1 66 66 ARG CA C 66 56.067 56.067 57.252 -1.185 18612 9627 1 14 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.657 0.369 18612 9628 1 14 . 1 1 66 66 ARG H H 66 8.402 8.402 8.713 -0.311 18612 9629 1 14 . 1 1 67 67 THR N N 67 115.622 115.622 111.874 3.748 18612 9630 1 14 . 1 1 67 67 THR HA H 67 4.445 4.445 4.412 0.033 18612 9631 1 14 . 1 1 67 67 THR CA C 67 61.650 61.650 62.791 -1.141 18612 9632 1 14 . 1 1 67 67 THR CB C 67 69.620 69.620 69.419 0.201 18612 9633 1 14 . 1 1 67 67 THR H H 67 8.281 8.281 7.694 0.587 18612 9634 1 14 . 1 1 68 68 THR N N 68 116.774 116.774 119.975 -3.201 18612 9635 1 14 . 1 1 68 68 THR HA H 68 4.503 4.503 4.408 0.095 18612 9636 1 14 . 1 1 68 68 THR CA C 68 61.050 61.050 63.315 -2.265 18612 9637 1 14 . 1 1 68 68 THR CB C 68 69.210 69.210 68.759 0.451 18612 9638 1 14 . 1 1 68 68 THR H H 68 8.076 8.076 8.583 -0.507 18612 9639 1 14 . 1 1 69 69 GLU N N 69 124.048 124.048 120.848 3.200 18612 9640 1 14 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.475 -0.099 18612 9641 1 14 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.173 0.227 18612 9642 1 14 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.363 0.255 18612 9643 1 14 . 1 1 69 69 GLU H H 69 8.515 8.515 8.127 0.388 18612 9644 1 14 . 1 1 70 70 THR N N 70 118.988 118.988 112.187 6.801 18612 9645 1 14 . 1 1 70 70 THR HA H 70 3.741 3.741 4.315 -0.574 18612 9646 1 14 . 1 1 70 70 THR CA C 70 64.680 64.680 62.687 1.993 18612 9647 1 14 . 1 1 70 70 THR CB C 70 68.770 68.770 69.421 -0.651 18612 9648 1 14 . 1 1 70 70 THR H H 70 8.259 8.259 7.914 0.345 18612 9649 1 14 . 1 1 71 71 GLN N N 71 125.858 125.858 126.198 -0.340 18612 9650 1 14 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.424 -0.130 18612 9651 1 14 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.323 -0.923 18612 9652 1 14 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.332 1.739 18612 9653 1 14 . 1 1 71 71 GLN H H 71 8.795 8.795 8.623 0.172 18612 9654 1 14 . 1 1 72 72 VAL N N 72 113.505 113.505 111.681 1.824 18612 9655 1 14 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.292 -0.394 18612 9656 1 14 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.059 -0.439 18612 9657 1 14 . 1 1 72 72 VAL CB C 72 35.404 35.404 34.483 0.921 18612 9658 1 14 . 1 1 72 72 VAL H H 72 7.325 7.325 7.453 -0.128 18612 9659 1 14 . 1 1 73 73 LEU N N 73 128.725 128.725 122.494 6.231 18612 9660 1 14 . 1 1 73 73 LEU HA H 73 5.092 5.092 5.085 0.007 18612 9661 1 14 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.292 -0.552 18612 9662 1 14 . 1 1 73 73 LEU CB C 73 45.081 45.081 44.946 0.136 18612 9663 1 14 . 1 1 73 73 LEU H H 73 8.170 8.170 8.008 0.162 18612 9664 1 14 . 1 1 74 74 VAL N N 74 127.634 127.634 125.901 1.733 18612 9665 1 14 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.058 0.708 18612 9666 1 14 . 1 1 74 74 VAL CA C 74 62.090 62.090 63.169 -1.079 18612 9667 1 14 . 1 1 74 74 VAL CB C 74 31.690 31.690 31.441 0.249 18612 9668 1 14 . 1 1 74 74 VAL H H 74 8.913 8.913 8.063 0.850 18612 9669 1 14 . 1 1 75 75 ALA N N 75 132.602 132.602 130.956 1.646 18612 9670 1 14 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.724 0.083 18612 9671 1 14 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.523 0.377 18612 9672 1 14 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.599 1.321 18612 9673 1 14 . 1 1 75 75 ALA H H 75 9.421 9.421 8.998 0.423 18612 9674 1 14 . 1 1 76 76 SER N N 76 111.274 111.274 114.881 -3.607 18612 9675 1 14 . 1 1 76 76 SER HA H 76 4.951 4.951 5.063 -0.112 18612 9676 1 14 . 1 1 76 76 SER CA C 76 56.940 56.940 56.677 0.263 18612 9677 1 14 . 1 1 76 76 SER CB C 76 65.960 65.960 66.547 -0.587 18612 9678 1 14 . 1 1 76 76 SER H H 76 8.106 8.106 8.155 -0.049 18612 9679 1 14 . 1 1 77 77 ALA N N 77 125.393 125.393 122.504 2.889 18612 9680 1 14 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.643 -0.182 18612 9681 1 14 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.521 1.233 18612 9682 1 14 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.990 -1.250 18612 9683 1 14 . 1 1 77 77 ALA H H 77 9.004 9.004 8.002 1.002 18612 9684 1 14 . 1 1 78 78 GLN N N 78 116.290 116.290 122.102 -5.812 18612 9685 1 14 . 1 1 78 78 GLN HA H 78 4.443 4.443 3.867 0.576 18612 9686 1 14 . 1 1 78 78 GLN CA C 78 56.630 56.630 58.337 -1.707 18612 9687 1 14 . 1 1 78 78 GLN CB C 78 30.553 30.553 27.805 2.748 18612 9688 1 14 . 1 1 78 78 GLN H H 78 7.985 7.985 8.733 -0.748 18612 9689 1 14 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.677 -0.114 18612 9690 1 14 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.872 -7.872 18612 9691 1 14 . 1 1 81 81 LEU CB C 81 41.021 41.021 44.381 -3.360 18612 9692 1 14 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.519 0.279 18612 9693 1 14 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.047 -0.141 18612 9694 1 14 . 1 1 85 85 ARG N N 85 119.948 119.948 119.588 0.360 18612 9695 1 14 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.097 -0.226 18612 9696 1 14 . 1 1 85 85 ARG CA C 85 60.680 60.680 58.930 1.750 18612 9697 1 14 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.568 2.353 18612 9698 1 14 . 1 1 85 85 ARG H H 85 8.229 8.229 7.919 0.310 18612 9699 1 14 . 1 1 86 86 LEU N N 86 120.227 120.227 120.140 0.087 18612 9700 1 14 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.027 -0.201 18612 9701 1 14 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.023 0.167 18612 9702 1 14 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.623 -0.035 18612 9703 1 14 . 1 1 86 86 LEU H H 86 8.459 8.459 8.143 0.316 18612 9704 1 14 . 1 1 87 87 LYS N N 87 120.470 120.470 119.923 0.547 18612 9705 1 14 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.106 -0.085 18612 9706 1 14 . 1 1 87 87 LYS CA C 87 59.380 59.380 58.937 0.443 18612 9707 1 14 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.089 0.809 18612 9708 1 14 . 1 1 87 87 LYS H H 87 7.945 7.945 7.877 0.068 18612 9709 1 14 . 1 1 88 88 LEU N N 88 119.799 119.799 120.645 -0.846 18612 9710 1 14 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.065 0.142 18612 9711 1 14 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.236 -0.556 18612 9712 1 14 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.093 -0.868 18612 9713 1 14 . 1 1 88 88 LEU H H 88 7.547 7.547 8.245 -0.698 18612 9714 1 14 . 1 1 89 89 VAL N N 89 118.828 118.828 115.469 3.359 18612 9715 1 14 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.699 -0.381 18612 9716 1 14 . 1 1 89 89 VAL CA C 89 67.750 67.750 65.545 2.205 18612 9717 1 14 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.453 0.925 18612 9718 1 14 . 1 1 89 89 VAL H H 89 8.347 8.347 8.296 0.051 18612 9719 1 14 . 1 1 90 90 SER N N 90 114.835 114.835 117.220 -2.385 18612 9720 1 14 . 1 1 90 90 SER HA H 90 4.207 4.207 4.120 0.087 18612 9721 1 14 . 1 1 90 90 SER CA C 90 62.000 62.000 62.060 -0.060 18612 9722 1 14 . 1 1 90 90 SER CB C 90 62.770 62.770 63.041 -0.271 18612 9723 1 14 . 1 1 90 90 SER H H 90 7.942 7.942 7.692 0.250 18612 9724 1 14 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.030 0.013 18612 9725 1 14 . 1 1 91 91 GLU CA C 91 59.440 59.440 58.953 0.487 18612 9726 1 14 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.297 0.937 18612 9727 1 14 . 1 1 92 92 LEU N N 92 119.720 119.720 120.972 -1.252 18612 9728 1 14 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.949 -0.001 18612 9729 1 14 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.929 -0.809 18612 9730 1 14 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.888 -1.312 18612 9731 1 14 . 1 1 92 92 LEU H H 92 8.379 8.379 7.906 0.473 18612 9732 1 14 . 1 1 93 93 GLN N N 93 120.938 120.938 118.948 1.990 18612 9733 1 14 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.364 0.189 18612 9734 1 14 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.944 0.106 18612 9735 1 14 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.374 -0.394 18612 9736 1 14 . 1 1 93 93 GLN H H 93 8.751 8.751 8.440 0.311 18612 9737 1 14 . 1 1 94 94 ASP N N 94 122.442 122.442 119.351 3.091 18612 9738 1 14 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.509 -0.050 18612 9739 1 14 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.215 0.885 18612 9740 1 14 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.169 -0.908 18612 9741 1 14 . 1 1 94 94 ASP H H 94 8.470 8.470 8.063 0.407 18612 9742 1 14 . 1 1 95 95 ALA N N 95 120.437 120.437 120.611 -0.174 18612 9743 1 14 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.353 0.159 18612 9744 1 14 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.166 -1.421 18612 9745 1 14 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.891 0.129 18612 9746 1 14 . 1 1 95 95 ALA H H 95 7.340 7.340 8.028 -0.688 18612 9747 1 14 . 1 1 96 96 GLY N N 96 106.865 106.865 109.144 -2.279 18612 9748 1 14 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.889 0.401 18612 9749 1 14 . 1 1 96 96 GLY H H 96 7.987 7.987 7.860 0.127 18612 9750 1 14 . 1 1 97 97 ILE N N 97 122.489 122.489 117.212 5.277 18612 9751 1 14 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.289 -0.035 18612 9752 1 14 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.953 -0.303 18612 9753 1 14 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.833 -0.860 18612 9754 1 14 . 1 1 97 97 ILE H H 97 8.062 8.062 7.491 0.571 18612 9755 1 14 . 1 1 98 98 LYS N N 98 127.459 127.459 124.377 3.082 18612 9756 1 14 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.341 0.166 18612 9757 1 14 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.057 -0.136 18612 9758 1 14 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.886 -0.452 18612 9759 1 14 . 1 1 98 98 LYS H H 98 8.574 8.574 8.659 -0.085 18612 9760 1 14 . 1 1 99 99 ALA N N 99 130.423 130.423 128.625 1.798 18612 9761 1 14 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.401 1.363 18612 9762 1 14 . 1 1 99 99 ALA CA C 99 49.211 49.211 52.562 -3.352 18612 9763 1 14 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.067 4.803 18612 9764 1 14 . 1 1 99 99 ALA H H 99 7.813 7.813 8.227 -0.414 18612 9765 1 14 . 1 1 100 100 GLU N N 100 118.988 118.988 120.861 -1.873 18612 9766 1 14 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.767 0.068 18612 9767 1 14 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.969 -1.263 18612 9768 1 14 . 1 1 100 100 GLU CB C 100 35.921 35.921 32.937 2.984 18612 9769 1 14 . 1 1 100 100 GLU H H 100 8.226 8.226 8.317 -0.091 18612 9770 1 14 . 1 1 101 101 LEU N N 101 120.024 120.024 120.451 -0.427 18612 9771 1 14 . 1 1 101 101 LEU HA H 101 4.714 4.714 5.119 -0.405 18612 9772 1 14 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.491 0.269 18612 9773 1 14 . 1 1 101 101 LEU CB C 101 44.084 44.084 44.172 -0.088 18612 9774 1 14 . 1 1 101 101 LEU H H 101 8.478 8.478 8.512 -0.034 18612 9775 1 14 . 1 1 102 102 LEU N N 102 118.623 118.623 124.806 -6.183 18612 9776 1 14 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.051 -0.017 18612 9777 1 14 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.511 3.949 18612 9778 1 14 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.083 -1.858 18612 9779 1 14 . 1 1 102 102 LEU H H 102 8.763 8.763 7.498 1.265 18612 9780 1 14 . 1 1 103 103 TYR N N 103 115.970 115.970 111.784 4.186 18612 9781 1 14 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.281 0.301 18612 9782 1 14 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.946 -1.973 18612 9783 1 14 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.095 3.637 18612 9784 1 14 . 1 1 103 103 TYR H H 103 7.378 7.378 7.208 0.170 18612 9785 1 14 . 1 1 104 104 LYS N N 104 120.577 120.577 121.283 -0.706 18612 9786 1 14 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.056 0.083 18612 9787 1 14 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.712 -0.232 18612 9788 1 14 . 1 1 104 104 LYS CB C 104 32.922 32.922 30.881 2.041 18612 9789 1 14 . 1 1 104 104 LYS H H 104 7.906 7.906 7.950 -0.044 18612 9790 1 14 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.019 0.010 18612 9791 1 14 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.368 -0.369 18612 9792 1 14 . 1 1 113 113 LEU N N 113 120.147 120.147 121.055 -0.908 18612 9793 1 14 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.205 -0.222 18612 9794 1 14 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.799 0.621 18612 9795 1 14 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.669 -1.076 18612 9796 1 14 . 1 1 113 113 LEU H H 113 8.365 8.365 8.665 -0.300 18612 9797 1 14 . 1 1 114 114 GLN N N 114 119.995 119.995 118.536 1.459 18612 9798 1 14 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.153 -0.116 18612 9799 1 14 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.424 0.546 18612 9800 1 14 . 1 1 114 114 GLN CB C 114 28.190 28.190 27.841 0.349 18612 9801 1 14 . 1 1 114 114 GLN H H 114 8.126 8.126 8.569 -0.443 18612 9802 1 14 . 1 1 115 115 TYR N N 115 120.358 120.358 121.592 -1.234 18612 9803 1 14 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.365 -0.070 18612 9804 1 14 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.635 0.395 18612 9805 1 14 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.732 -0.963 18612 9806 1 14 . 1 1 115 115 TYR H H 115 7.819 7.819 8.066 -0.247 18612 9807 1 14 . 1 1 116 116 CYS N N 116 116.264 116.264 118.568 -2.304 18612 9808 1 14 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.999 -0.183 18612 9809 1 14 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.541 2.689 18612 9810 1 14 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.509 -0.189 18612 9811 1 14 . 1 1 116 116 CYS H H 116 7.710 7.710 7.871 -0.161 18612 9812 1 14 . 1 1 117 117 GLU N N 117 119.526 119.526 119.325 0.201 18612 9813 1 14 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.045 -0.197 18612 9814 1 14 . 1 1 117 117 GLU CA C 117 59.150 59.150 58.984 0.166 18612 9815 1 14 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.787 -0.087 18612 9816 1 14 . 1 1 117 117 GLU H H 117 7.912 7.912 7.650 0.262 18612 9817 1 14 . 1 1 118 118 GLU N N 118 119.875 119.875 117.555 2.320 18612 9818 1 14 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.198 -0.229 18612 9819 1 14 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.400 0.380 18612 9820 1 14 . 1 1 118 118 GLU CB C 118 29.810 29.810 30.000 -0.191 18612 9821 1 14 . 1 1 118 118 GLU H H 118 7.988 7.988 7.775 0.213 18612 9822 1 14 . 1 1 119 119 ALA N N 119 119.118 119.118 120.566 -1.448 18612 9823 1 14 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.156 0.010 18612 9824 1 14 . 1 1 119 119 ALA CA C 119 52.654 52.654 52.263 0.391 18612 9825 1 14 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.954 0.126 18612 9826 1 14 . 1 1 119 119 ALA H H 119 8.137 8.137 7.632 0.505 18612 9827 1 14 . 1 1 120 120 GLY N N 120 106.604 106.604 106.022 0.582 18612 9828 1 14 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.506 1.871 18612 9829 1 14 . 1 1 120 120 GLY H H 120 7.550 7.550 7.643 -0.093 18612 9830 1 14 . 1 1 121 121 ILE N N 121 124.026 124.026 113.489 10.537 18612 9831 1 14 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.367 -0.356 18612 9832 1 14 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.377 0.673 18612 9833 1 14 . 1 1 121 121 ILE CB C 121 40.051 40.051 37.101 2.950 18612 9834 1 14 . 1 1 121 121 ILE H H 121 7.918 7.918 8.208 -0.290 18612 9835 1 14 . 1 1 123 123 LEU N N 123 119.541 119.541 111.695 7.846 18612 9836 1 14 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.646 -0.143 18612 9837 1 14 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.187 0.499 18612 9838 1 14 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.196 0.861 18612 9839 1 14 . 1 1 123 123 LEU H H 123 6.973 6.973 7.792 -0.819 18612 9840 1 14 . 1 1 124 124 VAL N N 124 119.580 119.580 116.727 2.853 18612 9841 1 14 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.789 0.247 18612 9842 1 14 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.143 -0.563 18612 9843 1 14 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.316 -1.059 18612 9844 1 14 . 1 1 124 124 VAL H H 124 8.823 8.823 8.161 0.662 18612 9845 1 14 . 1 1 125 125 ALA N N 125 130.810 130.810 124.813 5.997 18612 9846 1 14 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.424 -0.268 18612 9847 1 14 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.108 -0.913 18612 9848 1 14 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.940 -1.880 18612 9849 1 14 . 1 1 125 125 ALA H H 125 9.083 9.083 9.169 -0.086 18612 9850 1 14 . 1 1 126 126 ILE N N 126 124.925 124.925 126.276 -1.351 18612 9851 1 14 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.006 -0.503 18612 9852 1 14 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.904 0.056 18612 9853 1 14 . 1 1 126 126 ILE CB C 126 39.805 39.805 37.977 1.828 18612 9854 1 14 . 1 1 126 126 ILE H H 126 9.564 9.564 7.995 1.569 18612 9855 1 14 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.770 -0.127 18612 9856 1 14 . 1 1 127 127 ILE CA C 127 59.440 59.440 59.329 0.111 18612 9857 1 14 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.727 0.275 18612 9858 1 14 . 1 1 129 129 GLU N N 129 121.547 121.547 117.915 3.632 18612 9859 1 14 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.706 0.242 18612 9860 1 14 . 1 1 129 129 GLU CA C 129 60.400 60.400 59.940 0.460 18612 9861 1 14 . 1 1 129 129 GLU CB C 129 30.302 30.302 28.573 1.729 18612 9862 1 14 . 1 1 129 129 GLU H H 129 9.035 9.035 8.748 0.287 18612 9863 1 14 . 1 1 130 130 GLN N N 130 120.221 120.221 117.988 2.233 18612 9864 1 14 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.102 -0.225 18612 9865 1 14 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.596 -0.176 18612 9866 1 14 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.628 -0.228 18612 9867 1 14 . 1 1 130 130 GLN H H 130 8.914 8.914 8.533 0.381 18612 9868 1 14 . 1 1 131 131 GLU N N 131 120.680 120.680 119.800 0.880 18612 9869 1 14 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.212 -0.273 18612 9870 1 14 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.704 2.506 18612 9871 1 14 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.845 -0.675 18612 9872 1 14 . 1 1 131 131 GLU H H 131 8.871 8.871 8.414 0.457 18612 9873 1 14 . 1 1 132 132 LEU N N 132 118.303 118.303 120.457 -2.154 18612 9874 1 14 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.035 0.327 18612 9875 1 14 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.421 -2.305 18612 9876 1 14 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.738 0.085 18612 9877 1 14 . 1 1 132 132 LEU H H 132 8.152 8.152 8.165 -0.013 18612 9878 1 14 . 1 1 133 133 LYS N N 133 120.924 120.924 119.199 1.725 18612 9879 1 14 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.125 -0.044 18612 9880 1 14 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.076 0.504 18612 9881 1 14 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.420 0.052 18612 9882 1 14 . 1 1 133 133 LYS H H 133 7.631 7.631 7.706 -0.075 18612 9883 1 14 . 1 1 134 134 ASP N N 134 118.256 118.256 116.286 1.970 18612 9884 1 14 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.633 0.036 18612 9885 1 14 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.778 -0.626 18612 9886 1 14 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.314 0.067 18612 9887 1 14 . 1 1 134 134 ASP H H 134 7.985 7.985 7.984 0.001 18612 9888 1 14 . 1 1 135 135 GLY N N 135 109.383 109.383 105.290 4.093 18612 9889 1 14 . 1 1 135 135 GLY CA C 135 46.563 46.563 44.614 1.948 18612 9890 1 14 . 1 1 135 135 GLY H H 135 8.019 8.019 7.995 0.024 18612 9891 1 14 . 1 1 136 136 VAL N N 136 117.112 117.112 116.689 0.423 18612 9892 1 14 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.620 1.283 18612 9893 1 14 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.598 -3.648 18612 9894 1 14 . 1 1 136 136 VAL CB C 136 35.885 35.885 31.284 4.601 18612 9895 1 14 . 1 1 136 136 VAL H H 136 8.229 8.229 8.030 0.199 18612 9896 1 14 . 1 1 137 137 ILE N N 137 121.971 121.971 121.208 0.763 18612 9897 1 14 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.517 -0.343 18612 9898 1 14 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.895 -2.334 18612 9899 1 14 . 1 1 137 137 ILE CB C 137 40.789 40.789 37.575 3.215 18612 9900 1 14 . 1 1 137 137 ILE H H 137 8.975 8.975 7.966 1.009 18612 9901 1 14 . 1 1 138 138 LYS N N 138 126.613 126.613 128.176 -1.563 18612 9902 1 14 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.006 -0.082 18612 9903 1 14 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.803 0.912 18612 9904 1 14 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.022 -0.805 18612 9905 1 14 . 1 1 138 138 LYS H H 138 7.726 7.726 8.191 -0.465 18612 9906 1 14 . 1 1 139 139 LEU N N 139 129.177 129.177 127.798 1.379 18612 9907 1 14 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.799 0.404 18612 9908 1 14 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.606 -0.316 18612 9909 1 14 . 1 1 139 139 LEU CB C 139 44.760 44.760 42.378 2.382 18612 9910 1 14 . 1 1 139 139 LEU H H 139 9.404 9.404 8.151 1.253 18612 9911 1 14 . 1 1 140 140 ARG N N 140 128.243 128.243 126.791 1.452 18612 9912 1 14 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.270 0.992 18612 9913 1 14 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.778 -3.093 18612 9914 1 14 . 1 1 140 140 ARG CB C 140 27.990 27.990 29.943 -1.953 18612 9915 1 14 . 1 1 140 140 ARG H H 140 9.540 9.540 8.862 0.678 18612 9916 1 14 . 1 1 142 142 VAL N N 142 129.670 129.670 123.450 6.220 18612 9917 1 14 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.621 -0.074 18612 9918 1 14 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.710 0.240 18612 9919 1 14 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.503 1.185 18612 9920 1 14 . 1 1 142 142 VAL H H 142 8.336 8.336 8.626 -0.290 18612 9921 1 14 . 1 1 143 143 THR N N 143 111.061 111.061 114.763 -3.702 18612 9922 1 14 . 1 1 143 143 THR HA H 143 4.157 4.157 4.176 -0.019 18612 9923 1 14 . 1 1 143 143 THR CA C 143 69.400 69.400 64.522 4.878 18612 9924 1 14 . 1 1 143 143 THR CB C 143 70.020 70.020 68.488 1.532 18612 9925 1 14 . 1 1 143 143 THR H H 143 8.248 8.248 7.814 0.434 18612 9926 1 14 . 1 1 144 144 SER N N 144 115.158 115.158 116.837 -1.679 18612 9927 1 14 . 1 1 144 144 SER HA H 144 4.514 4.514 4.397 0.117 18612 9928 1 14 . 1 1 144 144 SER CA C 144 58.370 58.370 59.952 -1.582 18612 9929 1 14 . 1 1 144 144 SER CB C 144 64.500 64.500 63.647 0.853 18612 9930 1 14 . 1 1 144 144 SER H H 144 7.812 7.812 8.478 -0.666 18612 9931 1 14 . 1 1 145 145 ARG N N 145 116.527 116.527 119.384 -2.857 18612 9932 1 14 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.466 -0.640 18612 9933 1 14 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.414 1.886 18612 9934 1 14 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.742 -3.542 18612 9935 1 14 . 1 1 145 145 ARG H H 145 7.836 7.836 7.672 0.164 18612 9936 1 14 . 1 1 146 146 GLU N N 146 119.889 119.889 115.720 4.169 18612 9937 1 14 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.321 -0.052 18612 9938 1 14 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.152 -0.222 18612 9939 1 14 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.231 -0.593 18612 9940 1 14 . 1 1 146 146 GLU H H 146 7.675 7.675 8.523 -0.848 18612 9941 1 14 . 1 1 147 147 GLU N N 147 124.286 124.286 117.874 6.412 18612 9942 1 14 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.746 0.573 18612 9943 1 14 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.504 -0.569 18612 9944 1 14 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.542 1.198 18612 9945 1 14 . 1 1 147 147 GLU H H 147 8.602 8.602 8.008 0.594 18612 9946 1 14 . 1 1 148 148 VAL N N 148 120.587 120.587 120.598 -0.011 18612 9947 1 14 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.354 0.180 18612 9948 1 14 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.935 -0.275 18612 9949 1 14 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.566 0.124 18612 9950 1 14 . 1 1 148 148 VAL H H 148 8.536 8.536 7.753 0.783 18612 9951 1 14 . 1 1 149 149 ASP N N 149 125.031 125.031 122.797 2.234 18612 9952 1 14 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.787 0.367 18612 9953 1 14 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.012 -0.099 18612 9954 1 14 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.246 -0.465 18612 9955 1 14 . 1 1 149 149 ASP H H 149 8.411 8.411 8.366 0.045 18612 9956 1 14 . 1 1 150 150 VAL N N 150 123.264 123.264 119.665 3.599 18612 9957 1 14 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.739 -0.339 18612 9958 1 14 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.352 0.288 18612 9959 1 14 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.292 -1.268 18612 9960 1 14 . 1 1 150 150 VAL H H 150 9.061 9.061 8.589 0.472 18612 9961 1 14 . 1 1 151 151 ARG N N 151 125.112 125.112 119.495 5.617 18612 9962 1 14 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.745 -0.337 18612 9963 1 14 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.977 2.133 18612 9964 1 14 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.063 -0.173 18612 9965 1 14 . 1 1 151 151 ARG H H 151 9.048 9.048 8.584 0.464 18612 9966 1 14 . 1 1 152 152 ARG N N 152 124.828 124.828 119.374 5.454 18612 9967 1 14 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.767 -0.101 18612 9968 1 14 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.671 -0.641 18612 9969 1 14 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.076 1.934 18612 9970 1 14 . 1 1 152 152 ARG H H 152 8.582 8.582 8.638 -0.056 18612 9971 1 14 . 1 1 153 153 GLU N N 153 116.730 116.730 119.088 -2.358 18612 9972 1 14 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.118 0.082 18612 9973 1 14 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.510 -0.540 18612 9974 1 14 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.567 -0.987 18612 9975 1 14 . 1 1 153 153 GLU H H 153 9.924 9.924 8.419 1.505 18612 9976 1 14 . 1 1 154 154 ASP N N 154 119.318 119.318 118.161 1.157 18612 9977 1 14 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.423 0.595 18612 9978 1 14 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.401 -3.009 18612 9979 1 14 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.312 1.978 18612 9980 1 14 . 1 1 154 154 ASP H H 154 7.758 7.758 8.435 -0.677 18612 9981 1 14 . 1 1 155 155 LEU N N 155 121.863 121.863 120.898 0.965 18612 9982 1 14 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.134 -0.319 18612 9983 1 14 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.092 1.078 18612 9984 1 14 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.578 1.050 18612 9985 1 14 . 1 1 155 155 LEU H H 155 7.315 7.315 7.839 -0.524 18612 9986 1 14 . 1 1 156 156 VAL N N 156 118.555 118.555 118.421 0.134 18612 9987 1 14 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.650 -0.395 18612 9988 1 14 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.671 0.989 18612 9989 1 14 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.364 -0.134 18612 9990 1 14 . 1 1 156 156 VAL H H 156 8.490 8.490 7.766 0.724 18612 9991 1 14 . 1 1 157 157 GLU N N 157 118.568 118.568 119.812 -1.244 18612 9992 1 14 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.081 -0.171 18612 9993 1 14 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.341 0.079 18612 9994 1 14 . 1 1 157 157 GLU H H 157 8.138 8.138 7.993 0.145 18612 9995 1 14 . 1 1 158 158 GLU N N 158 118.484 118.484 119.669 -1.185 18612 9996 1 14 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.072 0.068 18612 9997 1 14 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.591 -2.301 18612 9998 1 14 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.859 -0.385 18612 9999 1 14 . 1 1 158 158 GLU H H 158 8.138 8.138 8.137 0.001 18612 10000 1 14 . 1 1 159 159 ILE N N 159 119.508 119.508 119.412 0.096 18612 10001 1 14 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.828 -0.400 18612 10002 1 14 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.198 0.692 18612 10003 1 14 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.917 -7.917 18612 10004 1 14 . 1 1 159 159 ILE H H 159 8.482 8.482 7.822 0.660 18612 10005 1 14 . 1 1 160 160 LYS N N 160 121.513 121.513 120.125 1.388 18612 10006 1 14 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.918 -0.140 18612 10007 1 14 . 1 1 160 160 LYS CA C 160 60.850 60.850 60.034 0.816 18612 10008 1 14 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.133 0.117 18612 10009 1 14 . 1 1 160 160 LYS H H 160 8.424 8.424 7.992 0.432 18612 10010 1 14 . 1 1 161 161 ARG N N 161 118.966 118.966 118.318 0.648 18612 10011 1 14 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.075 -0.006 18612 10012 1 14 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.871 0.459 18612 10013 1 14 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.175 0.717 18612 10014 1 14 . 1 1 161 161 ARG H H 161 8.248 8.248 7.964 0.284 18612 10015 1 14 . 1 1 162 162 ARG N N 162 117.033 117.033 117.280 -0.247 18612 10016 1 14 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.082 0.160 18612 10017 1 14 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.631 -0.573 18612 10018 1 14 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.258 1.532 18612 10019 1 14 . 1 1 162 162 ARG H H 162 7.811 7.811 7.779 0.032 18612 10020 1 14 . 1 1 163 163 THR N N 163 108.588 108.588 111.756 -3.168 18612 10021 1 14 . 1 1 163 163 THR HA H 163 4.549 4.549 4.370 0.179 18612 10022 1 14 . 1 1 163 163 THR CA C 163 61.820 61.820 64.345 -2.525 18612 10023 1 14 . 1 1 163 163 THR CB C 163 70.020 70.020 69.414 0.606 18612 10024 1 14 . 1 1 163 163 THR H H 163 7.831 7.831 8.035 -0.204 18612 10025 1 14 . 1 1 164 164 GLY N N 164 110.640 110.640 110.244 0.396 18612 10026 1 14 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.720 0.993 18612 10027 1 14 . 1 1 164 164 GLY H H 164 7.847 7.847 7.814 0.033 18612 10028 1 14 . 1 1 165 165 GLN N N 165 120.993 120.993 118.917 2.076 18612 10029 1 14 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.091 -0.149 18612 10030 1 14 . 1 1 165 165 GLN CA C 165 56.077 56.077 55.797 0.280 18612 10031 1 14 . 1 1 165 165 GLN CB C 165 29.569 29.569 28.046 1.523 18612 10032 1 14 . 1 1 165 165 GLN H H 165 8.141 8.141 8.200 -0.059 18612 10033 1 14 . 1 1 167 167 LEU N N 167 122.540 122.540 120.841 1.699 18612 10034 1 14 . 1 1 167 167 LEU H H 167 8.370 8.370 8.463 -0.093 18612 10035 1 14 . 1 1 168 168 SER N N 168 116.635 116.635 113.256 3.379 18612 10036 1 14 . 1 1 168 168 SER H H 168 8.269 8.269 8.066 0.203 18612 10037 1 14 . 1 1 169 169 ILE N N 169 122.767 122.767 123.917 -1.150 18612 10038 1 14 . 1 1 169 169 ILE H H 169 8.165 8.165 8.496 -0.331 18612 10039 1 15 . 1 1 2 2 GLU N N 2 120.329 120.329 121.163 -0.834 18612 10040 1 15 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.452 -0.310 18612 10041 1 15 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.644 2.426 18612 10042 1 15 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.738 -1.238 18612 10043 1 15 . 1 1 2 2 GLU H H 2 8.498 8.498 8.567 -0.069 18612 10044 1 15 . 1 1 3 3 ARG N N 3 121.547 121.547 120.992 0.555 18612 10045 1 15 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.975 0.049 18612 10046 1 15 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.288 -0.048 18612 10047 1 15 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.148 -0.198 18612 10048 1 15 . 1 1 3 3 ARG H H 3 8.238 8.238 8.565 -0.327 18612 10049 1 15 . 1 1 4 4 ALA N N 4 121.449 121.449 121.785 -0.336 18612 10050 1 15 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.154 0.049 18612 10051 1 15 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.919 0.121 18612 10052 1 15 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.021 -0.111 18612 10053 1 15 . 1 1 4 4 ALA H H 4 8.068 8.068 8.387 -0.319 18612 10054 1 15 . 1 1 5 5 ALA N N 5 121.000 121.000 121.673 -0.673 18612 10055 1 15 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.126 0.092 18612 10056 1 15 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.815 -0.072 18612 10057 1 15 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.096 0.314 18612 10058 1 15 . 1 1 5 5 ALA H H 5 7.831 7.831 8.202 -0.371 18612 10059 1 15 . 1 1 6 6 LEU N N 6 121.402 121.402 119.053 2.349 18612 10060 1 15 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.972 0.189 18612 10061 1 15 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.229 -0.279 18612 10062 1 15 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.540 0.501 18612 10063 1 15 . 1 1 6 6 LEU H H 6 7.919 7.919 8.234 -0.315 18612 10064 1 15 . 1 1 7 7 GLU N N 7 119.203 119.203 119.491 -0.288 18612 10065 1 15 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.866 -0.008 18612 10066 1 15 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.202 0.028 18612 10067 1 15 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.455 0.085 18612 10068 1 15 . 1 1 7 7 GLU H H 7 8.706 8.706 7.946 0.760 18612 10069 1 15 . 1 1 8 8 GLU N N 8 120.194 120.194 119.678 0.516 18612 10070 1 15 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.119 0.076 18612 10071 1 15 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.601 0.569 18612 10072 1 15 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.192 0.268 18612 10073 1 15 . 1 1 8 8 GLU H H 8 7.761 7.761 7.916 -0.155 18612 10074 1 15 . 1 1 9 9 LEU N N 9 120.526 120.526 120.127 0.399 18612 10075 1 15 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.085 0.079 18612 10076 1 15 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.920 0.200 18612 10077 1 15 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.743 0.045 18612 10078 1 15 . 1 1 9 9 LEU H H 9 7.913 7.913 7.943 -0.030 18612 10079 1 15 . 1 1 10 10 VAL N N 10 120.804 120.804 120.156 0.648 18612 10080 1 15 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.473 -0.016 18612 10081 1 15 . 1 1 10 10 VAL CA C 10 67.030 67.030 67.206 -0.175 18612 10082 1 15 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.227 0.820 18612 10083 1 15 . 1 1 10 10 VAL H H 10 8.570 8.570 8.079 0.491 18612 10084 1 15 . 1 1 11 11 LYS N N 11 123.175 123.175 120.336 2.839 18612 10085 1 15 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.963 0.081 18612 10086 1 15 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.013 -0.143 18612 10087 1 15 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.318 0.074 18612 10088 1 15 . 1 1 11 11 LYS H H 11 7.909 7.909 7.574 0.335 18612 10089 1 15 . 1 1 12 12 LEU N N 12 120.772 120.772 117.742 3.030 18612 10090 1 15 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.028 0.078 18612 10091 1 15 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.512 0.408 18612 10092 1 15 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.594 0.243 18612 10093 1 15 . 1 1 12 12 LEU H H 12 8.436 8.436 7.715 0.721 18612 10094 1 15 . 1 1 13 13 GLN N N 13 121.677 121.677 119.686 1.991 18612 10095 1 15 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.090 0.244 18612 10096 1 15 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.800 -2.400 18612 10097 1 15 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.270 -1.750 18612 10098 1 15 . 1 1 13 13 GLN H H 13 8.710 8.710 7.465 1.245 18612 10099 1 15 . 1 1 14 14 GLY N N 14 109.543 109.543 107.518 2.025 18612 10100 1 15 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.878 0.685 18612 10101 1 15 . 1 1 14 14 GLY H H 14 8.714 8.714 8.563 0.151 18612 10102 1 15 . 1 1 15 15 GLU N N 15 123.144 123.144 121.889 1.255 18612 10103 1 15 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.938 0.210 18612 10104 1 15 . 1 1 15 15 GLU CA C 15 58.970 58.970 60.128 -1.158 18612 10105 1 15 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.410 0.049 18612 10106 1 15 . 1 1 15 15 GLU H H 15 7.913 7.913 7.922 -0.009 18612 10107 1 15 . 1 1 16 16 ARG N N 16 123.135 123.135 119.507 3.628 18612 10108 1 15 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.118 0.020 18612 10109 1 15 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.076 -0.106 18612 10110 1 15 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.437 -1.037 18612 10111 1 15 . 1 1 16 16 ARG H H 16 8.104 8.104 7.715 0.389 18612 10112 1 15 . 1 1 17 17 VAL N N 17 119.501 119.501 120.168 -0.667 18612 10113 1 15 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.718 -0.305 18612 10114 1 15 . 1 1 17 17 VAL CA C 17 67.450 67.450 65.695 1.755 18612 10115 1 15 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.412 0.646 18612 10116 1 15 . 1 1 17 17 VAL H H 17 8.192 8.192 8.225 -0.033 18612 10117 1 15 . 1 1 18 18 ARG N N 18 119.372 119.372 119.724 -0.352 18612 10118 1 15 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.061 -0.127 18612 10119 1 15 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.738 0.322 18612 10120 1 15 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.873 0.399 18612 10121 1 15 . 1 1 18 18 ARG H H 18 7.980 7.980 8.700 -0.720 18612 10122 1 15 . 1 1 19 19 GLY N N 19 107.241 107.241 105.798 1.443 18612 10123 1 15 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.559 0.803 18612 10124 1 15 . 1 1 19 19 GLY H H 19 8.362 8.362 7.978 0.384 18612 10125 1 15 . 1 1 20 20 LEU N N 20 122.627 122.627 122.467 0.160 18612 10126 1 15 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.175 -0.126 18612 10127 1 15 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.222 0.668 18612 10128 1 15 . 1 1 20 20 LEU CB C 20 42.420 42.420 42.031 0.389 18612 10129 1 15 . 1 1 20 20 LEU H H 20 8.049 8.049 8.163 -0.114 18612 10130 1 15 . 1 1 21 21 LYS N N 21 118.255 118.255 119.833 -1.578 18612 10131 1 15 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.955 0.103 18612 10132 1 15 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.579 0.431 18612 10133 1 15 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.333 0.261 18612 10134 1 15 . 1 1 21 21 LYS H H 21 8.123 8.123 8.257 -0.134 18612 10135 1 15 . 1 1 22 22 GLN N N 22 121.183 121.183 117.737 3.446 18612 10136 1 15 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.171 -0.084 18612 10137 1 15 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.290 0.470 18612 10138 1 15 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.108 -0.508 18612 10139 1 15 . 1 1 22 22 GLN H H 22 8.234 8.234 7.725 0.509 18612 10140 1 15 . 1 1 23 23 GLN N N 23 116.219 116.219 117.595 -1.376 18612 10141 1 15 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.264 -0.001 18612 10142 1 15 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.344 -1.666 18612 10143 1 15 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.673 -0.403 18612 10144 1 15 . 1 1 23 23 GLN H H 23 7.820 7.820 7.907 -0.087 18612 10145 1 15 . 1 1 24 24 LYS N N 24 117.349 117.349 115.944 1.405 18612 10146 1 15 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.500 -0.588 18612 10147 1 15 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.515 1.515 18612 10148 1 15 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.317 -4.467 18612 10149 1 15 . 1 1 24 24 LYS H H 24 7.884 7.884 7.680 0.204 18612 10150 1 15 . 1 1 25 25 ALA N N 25 119.909 119.909 124.668 -4.759 18612 10151 1 15 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.059 0.220 18612 10152 1 15 . 1 1 25 25 ALA CA C 25 52.020 52.020 54.169 -2.150 18612 10153 1 15 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.865 3.455 18612 10154 1 15 . 1 1 25 25 ALA H H 25 7.620 7.620 7.914 -0.294 18612 10155 1 15 . 1 1 26 26 SER N N 26 113.188 113.188 112.173 1.015 18612 10156 1 15 . 1 1 26 26 SER HA H 26 4.244 4.244 4.229 0.015 18612 10157 1 15 . 1 1 26 26 SER CA C 26 58.390 58.390 58.171 0.219 18612 10158 1 15 . 1 1 26 26 SER CB C 26 63.830 63.830 61.595 2.235 18612 10159 1 15 . 1 1 26 26 SER H H 26 8.228 8.228 8.467 -0.239 18612 10160 1 15 . 1 1 27 27 ALA N N 27 127.550 127.550 123.950 3.600 18612 10161 1 15 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.983 0.001 18612 10162 1 15 . 1 1 27 27 ALA CA C 27 55.582 55.582 55.011 0.571 18612 10163 1 15 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.271 0.499 18612 10164 1 15 . 1 1 27 27 ALA H H 27 8.769 8.769 8.558 0.211 18612 10165 1 15 . 1 1 28 28 GLU N N 28 117.317 117.317 118.344 -1.027 18612 10166 1 15 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.040 0.034 18612 10167 1 15 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.478 0.222 18612 10168 1 15 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.231 -0.151 18612 10169 1 15 . 1 1 28 28 GLU H H 28 8.830 8.830 8.699 0.131 18612 10170 1 15 . 1 1 29 29 LEU N N 29 122.971 122.971 120.460 2.511 18612 10171 1 15 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.402 -0.091 18612 10172 1 15 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.469 0.101 18612 10173 1 15 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.761 -0.156 18612 10174 1 15 . 1 1 29 29 LEU H H 29 7.401 7.401 8.341 -0.940 18612 10175 1 15 . 1 1 30 30 ILE N N 30 118.784 118.784 119.748 -0.964 18612 10176 1 15 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.522 -0.125 18612 10177 1 15 . 1 1 30 30 ILE CA C 30 66.310 66.310 66.153 0.157 18612 10178 1 15 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.559 0.264 18612 10179 1 15 . 1 1 30 30 ILE H H 30 8.019 8.019 8.889 -0.870 18612 10180 1 15 . 1 1 31 31 GLU N N 31 118.215 118.215 119.751 -1.536 18612 10181 1 15 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.991 -0.023 18612 10182 1 15 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.789 0.051 18612 10183 1 15 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.418 0.022 18612 10184 1 15 . 1 1 31 31 GLU H H 31 8.367 8.367 8.507 -0.140 18612 10185 1 15 . 1 1 32 32 GLU N N 32 120.284 120.284 120.266 0.018 18612 10186 1 15 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.044 0.110 18612 10187 1 15 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.863 -0.483 18612 10188 1 15 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.710 0.130 18612 10189 1 15 . 1 1 32 32 GLU H H 32 7.667 7.667 7.787 -0.120 18612 10190 1 15 . 1 1 33 33 GLU N N 33 120.010 120.010 119.039 0.971 18612 10191 1 15 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.095 0.123 18612 10192 1 15 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.294 -0.914 18612 10193 1 15 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.834 -1.654 18612 10194 1 15 . 1 1 33 33 GLU H H 33 8.156 8.156 8.470 -0.314 18612 10195 1 15 . 1 1 34 34 VAL N N 34 125.322 125.322 120.683 4.639 18612 10196 1 15 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.675 -0.033 18612 10197 1 15 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.360 0.490 18612 10198 1 15 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.779 0.061 18612 10199 1 15 . 1 1 34 34 VAL H H 34 9.243 9.243 8.023 1.220 18612 10200 1 15 . 1 1 35 35 ALA N N 35 123.214 123.214 121.345 1.869 18612 10201 1 15 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.969 0.129 18612 10202 1 15 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.607 0.135 18612 10203 1 15 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.242 -0.992 18612 10204 1 15 . 1 1 35 35 ALA H H 35 8.160 8.160 8.390 -0.230 18612 10205 1 15 . 1 1 36 36 LYS N N 36 117.979 117.979 117.488 0.491 18612 10206 1 15 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.055 -0.060 18612 10207 1 15 . 1 1 36 36 LYS CA C 36 59.800 59.800 58.826 0.974 18612 10208 1 15 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.224 0.638 18612 10209 1 15 . 1 1 36 36 LYS H H 36 7.607 7.607 7.841 -0.234 18612 10210 1 15 . 1 1 37 37 LEU N N 37 120.957 120.957 122.346 -1.389 18612 10211 1 15 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.050 -0.047 18612 10212 1 15 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.924 0.586 18612 10213 1 15 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.864 0.166 18612 10214 1 15 . 1 1 37 37 LEU H H 37 7.762 7.762 7.617 0.145 18612 10215 1 15 . 1 1 38 38 LEU N N 38 118.910 118.910 119.145 -0.235 18612 10216 1 15 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.874 0.102 18612 10217 1 15 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.222 0.048 18612 10218 1 15 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.075 -0.117 18612 10219 1 15 . 1 1 38 38 LEU H H 38 8.636 8.636 7.941 0.695 18612 10220 1 15 . 1 1 39 39 LYS N N 39 120.804 120.804 118.961 1.843 18612 10221 1 15 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.970 0.111 18612 10222 1 15 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.154 0.297 18612 10223 1 15 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.100 0.558 18612 10224 1 15 . 1 1 39 39 LYS H H 39 7.864 7.864 7.619 0.245 18612 10225 1 15 . 1 1 40 40 LEU N N 40 120.940 120.940 120.634 0.306 18612 10226 1 15 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.961 0.149 18612 10227 1 15 . 1 1 40 40 LEU CA C 40 57.940 57.940 57.917 0.023 18612 10228 1 15 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.646 1.440 18612 10229 1 15 . 1 1 40 40 LEU H H 40 7.831 7.831 8.369 -0.538 18612 10230 1 15 . 1 1 41 41 LYS N N 41 117.563 117.563 118.885 -1.322 18612 10231 1 15 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.853 -0.003 18612 10232 1 15 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.879 0.201 18612 10233 1 15 . 1 1 41 41 LYS CB C 41 32.503 32.503 32.239 0.264 18612 10234 1 15 . 1 1 41 41 LYS H H 41 8.493 8.493 7.843 0.650 18612 10235 1 15 . 1 1 42 42 ALA N N 42 121.396 121.396 119.369 2.027 18612 10236 1 15 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.124 0.065 18612 10237 1 15 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.333 -0.053 18612 10238 1 15 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.107 -0.207 18612 10239 1 15 . 1 1 42 42 ALA H H 42 7.918 7.918 7.700 0.218 18612 10240 1 15 . 1 1 43 43 GLN N N 43 116.883 116.883 117.474 -0.591 18612 10241 1 15 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.140 -0.004 18612 10242 1 15 . 1 1 43 43 GLN CA C 43 57.410 57.410 57.803 -0.393 18612 10243 1 15 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.012 0.568 18612 10244 1 15 . 1 1 43 43 GLN H H 43 7.591 7.591 7.530 0.061 18612 10245 1 15 . 1 1 44 44 LEU N N 44 119.828 119.828 118.795 1.033 18612 10246 1 15 . 1 1 44 44 LEU HA H 44 4.208 4.208 3.939 0.269 18612 10247 1 15 . 1 1 44 44 LEU CA C 44 56.077 56.077 57.113 -1.036 18612 10248 1 15 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.923 0.504 18612 10249 1 15 . 1 1 44 44 LEU H H 44 7.574 7.574 7.857 -0.283 18612 10250 1 15 . 1 1 45 45 GLY N N 45 106.906 106.906 106.476 0.430 18612 10251 1 15 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.345 0.179 18612 10252 1 15 . 1 1 45 45 GLY H H 45 7.687 7.687 7.966 -0.279 18612 10253 1 15 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.473 -0.026 18612 10254 1 15 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.529 0.581 18612 10255 1 15 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.013 0.417 18612 10256 1 15 . 1 1 47 47 ASP N N 47 121.060 121.060 118.551 2.509 18612 10257 1 15 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.715 -0.137 18612 10258 1 15 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.636 0.846 18612 10259 1 15 . 1 1 47 47 ASP CB C 47 41.003 41.003 43.538 -2.535 18612 10260 1 15 . 1 1 47 47 ASP H H 47 8.446 8.446 8.428 0.018 18612 10261 1 15 . 1 1 48 48 GLU N N 48 123.347 123.347 121.191 2.156 18612 10262 1 15 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.072 0.172 18612 10263 1 15 . 1 1 48 48 GLU CA C 48 56.930 56.930 59.074 -2.144 18612 10264 1 15 . 1 1 48 48 GLU CB C 48 30.547 30.547 29.680 0.867 18612 10265 1 15 . 1 1 48 48 GLU H H 48 8.577 8.577 8.732 -0.155 18612 10266 1 15 . 1 1 49 49 SER N N 49 116.751 116.751 114.966 1.785 18612 10267 1 15 . 1 1 49 49 SER HA H 49 4.349 4.349 4.308 0.041 18612 10268 1 15 . 1 1 49 49 SER CA C 49 59.380 59.380 60.477 -1.097 18612 10269 1 15 . 1 1 49 49 SER CB C 49 63.460 63.460 63.292 0.168 18612 10270 1 15 . 1 1 49 49 SER H H 49 8.399 8.399 8.149 0.250 18612 10271 1 15 . 1 1 50 50 LYS N N 50 121.935 121.935 118.749 3.186 18612 10272 1 15 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.346 0.095 18612 10273 1 15 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.350 -0.830 18612 10274 1 15 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.735 -2.280 18612 10275 1 15 . 1 1 50 50 LYS H H 50 8.058 8.058 7.979 0.079 18612 10276 1 15 . 1 1 51 51 GLN N N 51 122.155 122.155 115.674 6.481 18612 10277 1 15 . 1 1 51 51 GLN HA H 51 4.203 4.203 3.856 0.347 18612 10278 1 15 . 1 1 51 51 GLN CA C 51 57.209 57.209 58.360 -1.151 18612 10279 1 15 . 1 1 51 51 GLN CB C 51 30.788 30.788 27.806 2.982 18612 10280 1 15 . 1 1 51 51 GLN H H 51 8.273 8.273 8.203 0.070 18612 10281 1 15 . 1 1 52 52 LYS N N 52 122.761 122.761 119.313 3.448 18612 10282 1 15 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.237 0.078 18612 10283 1 15 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.359 1.121 18612 10284 1 15 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.645 -0.723 18612 10285 1 15 . 1 1 52 52 LYS H H 52 8.251 8.251 7.941 0.310 18612 10286 1 15 . 1 1 53 53 PHE N N 53 121.326 121.326 118.495 2.831 18612 10287 1 15 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.770 -0.126 18612 10288 1 15 . 1 1 53 53 PHE CA C 53 57.640 57.640 55.652 1.988 18612 10289 1 15 . 1 1 53 53 PHE CB C 53 39.588 39.588 37.256 2.332 18612 10290 1 15 . 1 1 53 53 PHE H H 53 8.153 8.153 7.505 0.648 18612 10291 1 15 . 1 1 54 54 VAL N N 54 122.941 122.941 117.813 5.128 18612 10292 1 15 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.711 0.332 18612 10293 1 15 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.736 -0.756 18612 10294 1 15 . 1 1 54 54 VAL CB C 54 33.181 33.181 30.971 2.210 18612 10295 1 15 . 1 1 54 54 VAL H H 54 7.960 7.960 7.752 0.208 18612 10296 1 15 . 1 1 55 55 LEU N N 55 126.751 126.751 124.494 2.257 18612 10297 1 15 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.310 0.003 18612 10298 1 15 . 1 1 55 55 LEU CA C 55 55.060 55.060 55.945 -0.885 18612 10299 1 15 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.475 -0.160 18612 10300 1 15 . 1 1 55 55 LEU H H 55 8.226 8.226 8.183 0.043 18612 10301 1 15 . 1 1 56 56 LYS N N 56 123.614 123.614 119.118 4.496 18612 10302 1 15 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.781 -0.409 18612 10303 1 15 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.791 0.121 18612 10304 1 15 . 1 1 56 56 LYS CB C 56 33.191 33.191 35.528 -2.337 18612 10305 1 15 . 1 1 56 56 LYS H H 56 8.320 8.320 8.645 -0.325 18612 10306 1 15 . 1 1 57 57 THR N N 57 115.794 115.794 113.731 2.063 18612 10307 1 15 . 1 1 57 57 THR HA H 57 4.349 4.349 4.714 -0.365 18612 10308 1 15 . 1 1 57 57 THR CA C 57 58.960 58.960 59.839 -0.879 18612 10309 1 15 . 1 1 57 57 THR CB C 57 70.740 70.740 69.071 1.669 18612 10310 1 15 . 1 1 57 57 THR H H 57 7.892 7.892 8.008 -0.116 18612 10311 1 15 . 1 1 59 59 LYS N N 59 121.755 121.755 121.964 -0.209 18612 10312 1 15 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.456 -0.229 18612 10313 1 15 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.163 1.357 18612 10314 1 15 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.463 -0.369 18612 10315 1 15 . 1 1 59 59 LYS H H 59 8.300 8.300 8.299 0.001 18612 10316 1 15 . 1 1 60 60 ALA N N 60 125.263 125.263 124.558 0.705 18612 10317 1 15 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.391 -0.113 18612 10318 1 15 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.885 -0.021 18612 10319 1 15 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.653 -0.673 18612 10320 1 15 . 1 1 60 60 ALA H H 60 8.290 8.290 8.363 -0.073 18612 10321 1 15 . 1 1 61 61 LEU N N 61 121.255 121.255 122.049 -0.794 18612 10322 1 15 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.477 -0.197 18612 10323 1 15 . 1 1 61 61 LEU CA C 61 55.585 55.585 54.299 1.286 18612 10324 1 15 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.022 0.223 18612 10325 1 15 . 1 1 61 61 LEU H H 61 8.144 8.144 8.030 0.114 18612 10326 1 15 . 1 1 62 62 GLU N N 62 121.401 121.401 125.398 -3.997 18612 10327 1 15 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.271 0.005 18612 10328 1 15 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.589 0.341 18612 10329 1 15 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.525 -0.290 18612 10330 1 15 . 1 1 62 62 GLU H H 62 8.266 8.266 8.654 -0.388 18612 10331 1 15 . 1 1 64 64 LYS N N 64 120.575 120.575 121.827 -1.252 18612 10332 1 15 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.513 -0.269 18612 10333 1 15 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.256 -0.171 18612 10334 1 15 . 1 1 64 64 LYS CB C 64 29.470 29.470 32.336 -2.866 18612 10335 1 15 . 1 1 64 64 LYS H H 64 8.106 8.106 7.691 0.415 18612 10336 1 15 . 1 1 65 65 ILE N N 65 122.492 122.492 117.560 4.932 18612 10337 1 15 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.467 -0.327 18612 10338 1 15 . 1 1 65 65 ILE CA C 65 61.180 61.180 59.850 1.330 18612 10339 1 15 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.752 -1.202 18612 10340 1 15 . 1 1 65 65 ILE H H 65 8.135 8.135 7.789 0.346 18612 10341 1 15 . 1 1 66 66 ARG N N 66 125.714 125.714 121.991 3.723 18612 10342 1 15 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.208 0.260 18612 10343 1 15 . 1 1 66 66 ARG CA C 66 56.067 56.067 57.462 -1.395 18612 10344 1 15 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.571 0.455 18612 10345 1 15 . 1 1 66 66 ARG H H 66 8.402 8.402 8.544 -0.142 18612 10346 1 15 . 1 1 67 67 THR N N 67 115.622 115.622 109.970 5.652 18612 10347 1 15 . 1 1 67 67 THR HA H 67 4.445 4.445 4.753 -0.308 18612 10348 1 15 . 1 1 67 67 THR CA C 67 61.650 61.650 60.890 0.760 18612 10349 1 15 . 1 1 67 67 THR CB C 67 69.620 69.620 69.881 -0.261 18612 10350 1 15 . 1 1 67 67 THR H H 67 8.281 8.281 7.776 0.505 18612 10351 1 15 . 1 1 68 68 THR N N 68 116.774 116.774 120.468 -3.694 18612 10352 1 15 . 1 1 68 68 THR HA H 68 4.503 4.503 4.339 0.164 18612 10353 1 15 . 1 1 68 68 THR CA C 68 61.050 61.050 63.454 -2.404 18612 10354 1 15 . 1 1 68 68 THR CB C 68 69.210 69.210 69.159 0.050 18612 10355 1 15 . 1 1 68 68 THR H H 68 8.076 8.076 8.177 -0.101 18612 10356 1 15 . 1 1 69 69 GLU N N 69 124.048 124.048 120.874 3.174 18612 10357 1 15 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.437 -0.061 18612 10358 1 15 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.313 0.087 18612 10359 1 15 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.641 -0.023 18612 10360 1 15 . 1 1 69 69 GLU H H 69 8.515 8.515 8.324 0.191 18612 10361 1 15 . 1 1 70 70 THR N N 70 118.988 118.988 111.307 7.681 18612 10362 1 15 . 1 1 70 70 THR HA H 70 3.741 3.741 4.558 -0.817 18612 10363 1 15 . 1 1 70 70 THR CA C 70 64.680 64.680 61.805 2.875 18612 10364 1 15 . 1 1 70 70 THR CB C 70 68.770 68.770 70.309 -1.539 18612 10365 1 15 . 1 1 70 70 THR H H 70 8.259 8.259 7.334 0.925 18612 10366 1 15 . 1 1 71 71 GLN N N 71 125.858 125.858 128.451 -2.593 18612 10367 1 15 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.459 -0.165 18612 10368 1 15 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.807 -0.407 18612 10369 1 15 . 1 1 71 71 GLN CB C 71 32.071 32.071 31.022 1.049 18612 10370 1 15 . 1 1 71 71 GLN H H 71 8.795 8.795 9.003 -0.208 18612 10371 1 15 . 1 1 72 72 VAL N N 72 113.505 113.505 110.885 2.620 18612 10372 1 15 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.888 0.010 18612 10373 1 15 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.305 -0.685 18612 10374 1 15 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.328 0.076 18612 10375 1 15 . 1 1 72 72 VAL H H 72 7.325 7.325 7.558 -0.233 18612 10376 1 15 . 1 1 73 73 LEU N N 73 128.725 128.725 121.678 7.047 18612 10377 1 15 . 1 1 73 73 LEU HA H 73 5.092 5.092 5.076 0.016 18612 10378 1 15 . 1 1 73 73 LEU CA C 73 52.740 52.740 54.101 -1.361 18612 10379 1 15 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.168 -0.087 18612 10380 1 15 . 1 1 73 73 LEU H H 73 8.170 8.170 7.577 0.593 18612 10381 1 15 . 1 1 74 74 VAL N N 74 127.634 127.634 127.751 -0.117 18612 10382 1 15 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.670 0.096 18612 10383 1 15 . 1 1 74 74 VAL CA C 74 62.090 62.090 62.616 -0.526 18612 10384 1 15 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.659 -0.969 18612 10385 1 15 . 1 1 74 74 VAL H H 74 8.913 8.913 8.504 0.409 18612 10386 1 15 . 1 1 75 75 ALA N N 75 132.602 132.602 131.245 1.357 18612 10387 1 15 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.785 0.022 18612 10388 1 15 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.139 0.761 18612 10389 1 15 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.217 1.703 18612 10390 1 15 . 1 1 75 75 ALA H H 75 9.421 9.421 8.944 0.477 18612 10391 1 15 . 1 1 76 76 SER N N 76 111.274 111.274 118.784 -7.510 18612 10392 1 15 . 1 1 76 76 SER HA H 76 4.951 4.951 5.021 -0.070 18612 10393 1 15 . 1 1 76 76 SER CA C 76 56.940 56.940 56.314 0.626 18612 10394 1 15 . 1 1 76 76 SER CB C 76 65.960 65.960 64.794 1.165 18612 10395 1 15 . 1 1 76 76 SER H H 76 8.106 8.106 8.439 -0.333 18612 10396 1 15 . 1 1 77 77 ALA N N 77 125.393 125.393 129.298 -3.905 18612 10397 1 15 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.200 0.261 18612 10398 1 15 . 1 1 77 77 ALA CA C 77 52.754 52.754 53.118 -0.364 18612 10399 1 15 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.324 0.416 18612 10400 1 15 . 1 1 77 77 ALA H H 77 9.004 9.004 8.437 0.567 18612 10401 1 15 . 1 1 78 78 GLN N N 78 116.290 116.290 119.438 -3.148 18612 10402 1 15 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.303 0.140 18612 10403 1 15 . 1 1 78 78 GLN CA C 78 56.630 56.630 55.598 1.032 18612 10404 1 15 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.444 1.109 18612 10405 1 15 . 1 1 78 78 GLN H H 78 7.985 7.985 7.956 0.029 18612 10406 1 15 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.541 0.022 18612 10407 1 15 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.873 -7.873 18612 10408 1 15 . 1 1 81 81 LEU CB C 81 41.021 41.021 43.774 -2.753 18612 10409 1 15 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.066 0.732 18612 10410 1 15 . 1 1 83 83 GLU HA H 83 3.906 3.906 3.957 -0.051 18612 10411 1 15 . 1 1 85 85 ARG N N 85 119.948 119.948 120.036 -0.088 18612 10412 1 15 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.029 -0.158 18612 10413 1 15 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.407 1.273 18612 10414 1 15 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.822 2.099 18612 10415 1 15 . 1 1 85 85 ARG H H 85 8.229 8.229 7.903 0.326 18612 10416 1 15 . 1 1 86 86 LEU N N 86 120.227 120.227 119.258 0.969 18612 10417 1 15 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.053 -0.227 18612 10418 1 15 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.968 0.222 18612 10419 1 15 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.955 -0.367 18612 10420 1 15 . 1 1 86 86 LEU H H 86 8.459 8.459 7.882 0.577 18612 10421 1 15 . 1 1 87 87 LYS N N 87 120.470 120.470 120.059 0.411 18612 10422 1 15 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.003 0.018 18612 10423 1 15 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.627 -0.247 18612 10424 1 15 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.169 0.729 18612 10425 1 15 . 1 1 87 87 LYS H H 87 7.945 7.945 7.577 0.368 18612 10426 1 15 . 1 1 88 88 LEU N N 88 119.799 119.799 120.935 -1.136 18612 10427 1 15 . 1 1 88 88 LEU HA H 88 4.207 4.207 3.972 0.235 18612 10428 1 15 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.090 -0.410 18612 10429 1 15 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.072 -0.847 18612 10430 1 15 . 1 1 88 88 LEU H H 88 7.547 7.547 8.498 -0.951 18612 10431 1 15 . 1 1 89 89 VAL N N 89 118.828 118.828 118.660 0.168 18612 10432 1 15 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.520 -0.202 18612 10433 1 15 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.728 1.022 18612 10434 1 15 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.323 0.055 18612 10435 1 15 . 1 1 89 89 VAL H H 89 8.347 8.347 8.057 0.290 18612 10436 1 15 . 1 1 90 90 SER N N 90 114.835 114.835 115.505 -0.670 18612 10437 1 15 . 1 1 90 90 SER HA H 90 4.207 4.207 4.138 0.069 18612 10438 1 15 . 1 1 90 90 SER CA C 90 62.000 62.000 62.260 -0.260 18612 10439 1 15 . 1 1 90 90 SER CB C 90 62.770 62.770 62.678 0.092 18612 10440 1 15 . 1 1 90 90 SER H H 90 7.942 7.942 8.048 -0.106 18612 10441 1 15 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.131 -0.088 18612 10442 1 15 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.269 0.171 18612 10443 1 15 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.860 0.373 18612 10444 1 15 . 1 1 92 92 LEU N N 92 119.720 119.720 119.718 0.002 18612 10445 1 15 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.053 -0.105 18612 10446 1 15 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.539 0.581 18612 10447 1 15 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.906 -1.329 18612 10448 1 15 . 1 1 92 92 LEU H H 92 8.379 8.379 8.390 -0.011 18612 10449 1 15 . 1 1 93 93 GLN N N 93 120.938 120.938 119.432 1.506 18612 10450 1 15 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.912 -0.359 18612 10451 1 15 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.215 0.835 18612 10452 1 15 . 1 1 93 93 GLN CB C 93 27.980 27.980 29.492 -1.512 18612 10453 1 15 . 1 1 93 93 GLN H H 93 8.751 8.751 8.151 0.600 18612 10454 1 15 . 1 1 94 94 ASP N N 94 122.442 122.442 119.992 2.450 18612 10455 1 15 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.528 -0.069 18612 10456 1 15 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.161 0.939 18612 10457 1 15 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.081 -0.820 18612 10458 1 15 . 1 1 94 94 ASP H H 94 8.470 8.470 8.531 -0.061 18612 10459 1 15 . 1 1 95 95 ALA N N 95 120.437 120.437 121.340 -0.903 18612 10460 1 15 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.378 0.134 18612 10461 1 15 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.644 -1.899 18612 10462 1 15 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.850 0.170 18612 10463 1 15 . 1 1 95 95 ALA H H 95 7.340 7.340 7.888 -0.548 18612 10464 1 15 . 1 1 96 96 GLY N N 96 106.865 106.865 105.222 1.643 18612 10465 1 15 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.813 0.477 18612 10466 1 15 . 1 1 96 96 GLY H H 96 7.987 7.987 8.017 -0.030 18612 10467 1 15 . 1 1 97 97 ILE N N 97 122.489 122.489 118.007 4.482 18612 10468 1 15 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.533 -0.279 18612 10469 1 15 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.185 0.465 18612 10470 1 15 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.026 -3.053 18612 10471 1 15 . 1 1 97 97 ILE H H 97 8.062 8.062 8.443 -0.381 18612 10472 1 15 . 1 1 98 98 LYS N N 98 127.459 127.459 123.208 4.251 18612 10473 1 15 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.169 0.338 18612 10474 1 15 . 1 1 98 98 LYS CA C 98 55.921 55.921 57.053 -1.132 18612 10475 1 15 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.191 0.243 18612 10476 1 15 . 1 1 98 98 LYS H H 98 8.574 8.574 8.940 -0.366 18612 10477 1 15 . 1 1 99 99 ALA N N 99 130.423 130.423 129.138 1.285 18612 10478 1 15 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.908 0.856 18612 10479 1 15 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.675 -1.464 18612 10480 1 15 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.692 4.178 18612 10481 1 15 . 1 1 99 99 ALA H H 99 7.813 7.813 8.353 -0.540 18612 10482 1 15 . 1 1 100 100 GLU N N 100 118.988 118.988 123.978 -4.990 18612 10483 1 15 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.789 0.046 18612 10484 1 15 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.180 -0.474 18612 10485 1 15 . 1 1 100 100 GLU CB C 100 35.921 35.921 32.776 3.145 18612 10486 1 15 . 1 1 100 100 GLU H H 100 8.226 8.226 8.731 -0.505 18612 10487 1 15 . 1 1 101 101 LEU N N 101 120.024 120.024 121.089 -1.065 18612 10488 1 15 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.910 -0.196 18612 10489 1 15 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.434 0.326 18612 10490 1 15 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.399 0.685 18612 10491 1 15 . 1 1 101 101 LEU H H 101 8.478 8.478 8.441 0.037 18612 10492 1 15 . 1 1 102 102 LEU N N 102 118.623 118.623 121.007 -2.384 18612 10493 1 15 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.033 0.001 18612 10494 1 15 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.680 3.780 18612 10495 1 15 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.481 -2.256 18612 10496 1 15 . 1 1 102 102 LEU H H 102 8.763 8.763 8.006 0.757 18612 10497 1 15 . 1 1 103 103 TYR N N 103 115.970 115.970 111.748 4.222 18612 10498 1 15 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.136 0.446 18612 10499 1 15 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.595 -1.622 18612 10500 1 15 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.294 3.438 18612 10501 1 15 . 1 1 103 103 TYR H H 103 7.378 7.378 6.957 0.421 18612 10502 1 15 . 1 1 104 104 LYS N N 104 120.577 120.577 120.331 0.246 18612 10503 1 15 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.080 0.059 18612 10504 1 15 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.226 -0.746 18612 10505 1 15 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.754 1.168 18612 10506 1 15 . 1 1 104 104 LYS H H 104 7.906 7.906 7.838 0.068 18612 10507 1 15 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.058 -0.029 18612 10508 1 15 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.034 -0.035 18612 10509 1 15 . 1 1 113 113 LEU N N 113 120.147 120.147 119.601 0.546 18612 10510 1 15 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.233 -0.250 18612 10511 1 15 . 1 1 113 113 LEU CA C 113 58.420 58.420 56.842 1.578 18612 10512 1 15 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.174 -0.581 18612 10513 1 15 . 1 1 113 113 LEU H H 113 8.365 8.365 8.218 0.147 18612 10514 1 15 . 1 1 114 114 GLN N N 114 119.995 119.995 120.502 -0.507 18612 10515 1 15 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.046 -0.009 18612 10516 1 15 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.629 -0.659 18612 10517 1 15 . 1 1 114 114 GLN CB C 114 28.190 28.190 29.104 -0.914 18612 10518 1 15 . 1 1 114 114 GLN H H 114 8.126 8.126 8.576 -0.450 18612 10519 1 15 . 1 1 115 115 TYR N N 115 120.358 120.358 120.446 -0.088 18612 10520 1 15 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.286 0.009 18612 10521 1 15 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.421 -0.391 18612 10522 1 15 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.788 -1.019 18612 10523 1 15 . 1 1 115 115 TYR H H 115 7.819 7.819 8.835 -1.016 18612 10524 1 15 . 1 1 116 116 CYS N N 116 116.264 116.264 119.108 -2.844 18612 10525 1 15 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.979 -0.163 18612 10526 1 15 . 1 1 116 116 CYS CA C 116 64.230 64.230 63.894 0.336 18612 10527 1 15 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.865 -0.545 18612 10528 1 15 . 1 1 116 116 CYS H H 116 7.710 7.710 8.256 -0.546 18612 10529 1 15 . 1 1 117 117 GLU N N 117 119.526 119.526 119.773 -0.247 18612 10530 1 15 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.007 -0.159 18612 10531 1 15 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.196 -0.046 18612 10532 1 15 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.643 0.057 18612 10533 1 15 . 1 1 117 117 GLU H H 117 7.912 7.912 7.830 0.082 18612 10534 1 15 . 1 1 118 118 GLU N N 118 119.875 119.875 118.589 1.286 18612 10535 1 15 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.144 -0.175 18612 10536 1 15 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.367 0.412 18612 10537 1 15 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.841 -0.031 18612 10538 1 15 . 1 1 118 118 GLU H H 118 7.988 7.988 7.797 0.191 18612 10539 1 15 . 1 1 119 119 ALA N N 119 119.118 119.118 119.360 -0.242 18612 10540 1 15 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.041 0.125 18612 10541 1 15 . 1 1 119 119 ALA CA C 119 52.654 52.654 52.295 0.359 18612 10542 1 15 . 1 1 119 119 ALA CB C 119 19.080 19.080 18.066 1.014 18612 10543 1 15 . 1 1 119 119 ALA H H 119 8.137 8.137 7.457 0.680 18612 10544 1 15 . 1 1 120 120 GLY N N 120 106.604 106.604 106.702 -0.098 18612 10545 1 15 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.287 2.090 18612 10546 1 15 . 1 1 120 120 GLY H H 120 7.550 7.550 7.605 -0.055 18612 10547 1 15 . 1 1 121 121 ILE N N 121 124.026 124.026 116.065 7.961 18612 10548 1 15 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.317 -0.306 18612 10549 1 15 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.962 1.087 18612 10550 1 15 . 1 1 121 121 ILE CB C 121 40.051 40.051 37.312 2.739 18612 10551 1 15 . 1 1 121 121 ILE H H 121 7.918 7.918 8.383 -0.465 18612 10552 1 15 . 1 1 123 123 LEU N N 123 119.541 119.541 118.030 1.511 18612 10553 1 15 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.074 0.429 18612 10554 1 15 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.712 -0.026 18612 10555 1 15 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.639 0.418 18612 10556 1 15 . 1 1 123 123 LEU H H 123 6.973 6.973 7.764 -0.791 18612 10557 1 15 . 1 1 124 124 VAL N N 124 119.580 119.580 117.747 1.833 18612 10558 1 15 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.001 0.035 18612 10559 1 15 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.618 -1.038 18612 10560 1 15 . 1 1 124 124 VAL CB C 124 35.257 35.257 35.424 -0.167 18612 10561 1 15 . 1 1 124 124 VAL H H 124 8.823 8.823 9.172 -0.349 18612 10562 1 15 . 1 1 125 125 ALA N N 125 130.810 130.810 128.937 1.873 18612 10563 1 15 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.456 -0.300 18612 10564 1 15 . 1 1 125 125 ALA CA C 125 49.195 49.195 49.786 -0.591 18612 10565 1 15 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.063 -1.003 18612 10566 1 15 . 1 1 125 125 ALA H H 125 9.083 9.083 9.079 0.004 18612 10567 1 15 . 1 1 126 126 ILE N N 126 124.925 124.925 126.098 -1.173 18612 10568 1 15 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.130 -0.627 18612 10569 1 15 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.448 0.512 18612 10570 1 15 . 1 1 126 126 ILE CB C 126 39.805 39.805 39.888 -0.083 18612 10571 1 15 . 1 1 126 126 ILE H H 126 9.564 9.564 9.002 0.562 18612 10572 1 15 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.430 0.213 18612 10573 1 15 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.006 -0.566 18612 10574 1 15 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.952 1.050 18612 10575 1 15 . 1 1 129 129 GLU N N 129 121.547 121.547 115.520 6.027 18612 10576 1 15 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.231 -0.283 18612 10577 1 15 . 1 1 129 129 GLU CA C 129 60.400 60.400 56.881 3.519 18612 10578 1 15 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.630 0.672 18612 10579 1 15 . 1 1 129 129 GLU H H 129 9.035 9.035 8.040 0.995 18612 10580 1 15 . 1 1 130 130 GLN N N 130 120.221 120.221 119.690 0.531 18612 10581 1 15 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.414 -0.537 18612 10582 1 15 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.689 -0.269 18612 10583 1 15 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.560 -0.160 18612 10584 1 15 . 1 1 130 130 GLN H H 130 8.914 8.914 8.435 0.479 18612 10585 1 15 . 1 1 131 131 GLU N N 131 120.680 120.680 119.159 1.521 18612 10586 1 15 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.243 -0.304 18612 10587 1 15 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.106 2.104 18612 10588 1 15 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.240 -1.070 18612 10589 1 15 . 1 1 131 131 GLU H H 131 8.871 8.871 8.604 0.267 18612 10590 1 15 . 1 1 132 132 LEU N N 132 118.303 118.303 117.712 0.591 18612 10591 1 15 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.207 0.155 18612 10592 1 15 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.978 -1.862 18612 10593 1 15 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.473 0.350 18612 10594 1 15 . 1 1 132 132 LEU H H 132 8.152 8.152 8.025 0.127 18612 10595 1 15 . 1 1 133 133 LYS N N 133 120.924 120.924 118.146 2.778 18612 10596 1 15 . 1 1 133 133 LYS HA H 133 4.081 4.081 3.980 0.101 18612 10597 1 15 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.163 0.417 18612 10598 1 15 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.525 -0.053 18612 10599 1 15 . 1 1 133 133 LYS H H 133 7.631 7.631 7.515 0.116 18612 10600 1 15 . 1 1 134 134 ASP N N 134 118.256 118.256 115.696 2.560 18612 10601 1 15 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.551 0.118 18612 10602 1 15 . 1 1 134 134 ASP CA C 134 55.151 55.151 56.201 -1.050 18612 10603 1 15 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.559 -0.178 18612 10604 1 15 . 1 1 134 134 ASP H H 134 7.985 7.985 7.743 0.242 18612 10605 1 15 . 1 1 135 135 GLY N N 135 109.383 109.383 105.454 3.929 18612 10606 1 15 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.167 1.396 18612 10607 1 15 . 1 1 135 135 GLY H H 135 8.019 8.019 7.577 0.442 18612 10608 1 15 . 1 1 136 136 VAL N N 136 117.112 117.112 122.448 -5.336 18612 10609 1 15 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.000 0.903 18612 10610 1 15 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.089 -3.139 18612 10611 1 15 . 1 1 136 136 VAL CB C 136 35.885 35.885 31.590 4.295 18612 10612 1 15 . 1 1 136 136 VAL H H 136 8.229 8.229 8.284 -0.055 18612 10613 1 15 . 1 1 137 137 ILE N N 137 121.971 121.971 128.554 -6.583 18612 10614 1 15 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.297 -0.123 18612 10615 1 15 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.002 -1.442 18612 10616 1 15 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.647 0.142 18612 10617 1 15 . 1 1 137 137 ILE H H 137 8.975 8.975 9.215 -0.240 18612 10618 1 15 . 1 1 138 138 LYS N N 138 126.613 126.613 128.843 -2.230 18612 10619 1 15 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.034 -0.110 18612 10620 1 15 . 1 1 138 138 LYS CA C 138 55.715 55.715 55.100 0.615 18612 10621 1 15 . 1 1 138 138 LYS CB C 138 33.217 33.217 33.281 -0.064 18612 10622 1 15 . 1 1 138 138 LYS H H 138 7.726 7.726 8.352 -0.626 18612 10623 1 15 . 1 1 139 139 LEU N N 139 129.177 129.177 126.087 3.090 18612 10624 1 15 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.403 0.800 18612 10625 1 15 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.686 -1.396 18612 10626 1 15 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.106 0.654 18612 10627 1 15 . 1 1 139 139 LEU H H 139 9.404 9.404 8.262 1.142 18612 10628 1 15 . 1 1 140 140 ARG N N 140 128.243 128.243 124.898 3.345 18612 10629 1 15 . 1 1 140 140 ARG HA H 140 5.262 5.262 5.014 0.247 18612 10630 1 15 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.054 -1.369 18612 10631 1 15 . 1 1 140 140 ARG CB C 140 27.990 27.990 33.791 -5.801 18612 10632 1 15 . 1 1 140 140 ARG H H 140 9.540 9.540 8.691 0.849 18612 10633 1 15 . 1 1 142 142 VAL N N 142 129.670 129.670 122.909 6.761 18612 10634 1 15 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.707 -0.160 18612 10635 1 15 . 1 1 142 142 VAL CA C 142 65.950 65.950 64.941 1.010 18612 10636 1 15 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.398 1.290 18612 10637 1 15 . 1 1 142 142 VAL H H 142 8.336 8.336 7.888 0.448 18612 10638 1 15 . 1 1 143 143 THR N N 143 111.061 111.061 112.706 -1.645 18612 10639 1 15 . 1 1 143 143 THR HA H 143 4.157 4.157 4.212 -0.055 18612 10640 1 15 . 1 1 143 143 THR CA C 143 69.400 69.400 64.849 4.551 18612 10641 1 15 . 1 1 143 143 THR CB C 143 70.020 70.020 69.490 0.529 18612 10642 1 15 . 1 1 143 143 THR H H 143 8.248 8.248 7.876 0.372 18612 10643 1 15 . 1 1 144 144 SER N N 144 115.158 115.158 115.396 -0.238 18612 10644 1 15 . 1 1 144 144 SER HA H 144 4.514 4.514 4.450 0.064 18612 10645 1 15 . 1 1 144 144 SER CA C 144 58.370 58.370 60.411 -2.041 18612 10646 1 15 . 1 1 144 144 SER CB C 144 64.500 64.500 63.636 0.864 18612 10647 1 15 . 1 1 144 144 SER H H 144 7.812 7.812 8.478 -0.666 18612 10648 1 15 . 1 1 145 145 ARG N N 145 116.527 116.527 120.209 -3.682 18612 10649 1 15 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.572 -0.746 18612 10650 1 15 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.154 3.146 18612 10651 1 15 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.756 -4.556 18612 10652 1 15 . 1 1 145 145 ARG H H 145 7.836 7.836 8.060 -0.224 18612 10653 1 15 . 1 1 146 146 GLU N N 146 119.889 119.889 117.435 2.454 18612 10654 1 15 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.523 -0.254 18612 10655 1 15 . 1 1 146 146 GLU CA C 146 56.930 56.930 55.164 1.766 18612 10656 1 15 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.073 0.565 18612 10657 1 15 . 1 1 146 146 GLU H H 146 7.675 7.675 8.274 -0.599 18612 10658 1 15 . 1 1 147 147 GLU N N 147 124.286 124.286 119.700 4.586 18612 10659 1 15 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.209 1.110 18612 10660 1 15 . 1 1 147 147 GLU CA C 147 54.935 54.935 57.758 -2.823 18612 10661 1 15 . 1 1 147 147 GLU CB C 147 33.740 33.740 30.188 3.552 18612 10662 1 15 . 1 1 147 147 GLU H H 147 8.602 8.602 8.455 0.147 18612 10663 1 15 . 1 1 148 148 VAL N N 148 120.587 120.587 121.229 -0.642 18612 10664 1 15 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.237 0.297 18612 10665 1 15 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.604 -0.944 18612 10666 1 15 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.278 -0.588 18612 10667 1 15 . 1 1 148 148 VAL H H 148 8.536 8.536 8.133 0.403 18612 10668 1 15 . 1 1 149 149 ASP N N 149 125.031 125.031 125.591 -0.560 18612 10669 1 15 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.875 0.279 18612 10670 1 15 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.508 0.404 18612 10671 1 15 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.571 -0.790 18612 10672 1 15 . 1 1 149 149 ASP H H 149 8.411 8.411 8.320 0.091 18612 10673 1 15 . 1 1 150 150 VAL N N 150 123.264 123.264 119.199 4.065 18612 10674 1 15 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.718 -0.318 18612 10675 1 15 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.538 0.102 18612 10676 1 15 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.329 -0.304 18612 10677 1 15 . 1 1 150 150 VAL H H 150 9.061 9.061 9.030 0.031 18612 10678 1 15 . 1 1 151 151 ARG N N 151 125.112 125.112 119.019 6.093 18612 10679 1 15 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.808 -0.400 18612 10680 1 15 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.328 2.783 18612 10681 1 15 . 1 1 151 151 ARG CB C 151 29.890 29.890 33.615 -3.725 18612 10682 1 15 . 1 1 151 151 ARG H H 151 9.048 9.048 8.401 0.647 18612 10683 1 15 . 1 1 152 152 ARG N N 152 124.828 124.828 124.909 -0.081 18612 10684 1 15 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.788 -0.122 18612 10685 1 15 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.957 -0.927 18612 10686 1 15 . 1 1 152 152 ARG CB C 152 30.010 30.010 30.004 0.006 18612 10687 1 15 . 1 1 152 152 ARG H H 152 8.582 8.582 8.910 -0.328 18612 10688 1 15 . 1 1 153 153 GLU N N 153 116.730 116.730 116.585 0.145 18612 10689 1 15 . 1 1 153 153 GLU HA H 153 4.200 4.200 3.982 0.218 18612 10690 1 15 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.813 -0.843 18612 10691 1 15 . 1 1 153 153 GLU CB C 153 28.580 28.580 28.926 -0.346 18612 10692 1 15 . 1 1 153 153 GLU H H 153 9.924 9.924 8.635 1.289 18612 10693 1 15 . 1 1 154 154 ASP N N 154 119.318 119.318 119.751 -0.433 18612 10694 1 15 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.512 0.506 18612 10695 1 15 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.605 -2.213 18612 10696 1 15 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.743 1.547 18612 10697 1 15 . 1 1 154 154 ASP H H 154 7.758 7.758 7.914 -0.156 18612 10698 1 15 . 1 1 155 155 LEU N N 155 121.863 121.863 122.499 -0.636 18612 10699 1 15 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.027 -0.212 18612 10700 1 15 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.376 0.794 18612 10701 1 15 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.777 0.851 18612 10702 1 15 . 1 1 155 155 LEU H H 155 7.315 7.315 8.246 -0.931 18612 10703 1 15 . 1 1 156 156 VAL N N 156 118.555 118.555 118.179 0.376 18612 10704 1 15 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.680 -0.425 18612 10705 1 15 . 1 1 156 156 VAL CA C 156 67.660 67.660 65.701 1.959 18612 10706 1 15 . 1 1 156 156 VAL CB C 156 31.230 31.230 30.655 0.575 18612 10707 1 15 . 1 1 156 156 VAL H H 156 8.490 8.490 7.842 0.648 18612 10708 1 15 . 1 1 157 157 GLU N N 157 118.568 118.568 120.008 -1.440 18612 10709 1 15 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.974 -0.064 18612 10710 1 15 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.647 -0.227 18612 10711 1 15 . 1 1 157 157 GLU H H 157 8.138 8.138 7.877 0.261 18612 10712 1 15 . 1 1 158 158 GLU N N 158 118.484 118.484 120.328 -1.844 18612 10713 1 15 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.088 0.052 18612 10714 1 15 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.452 -2.162 18612 10715 1 15 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.537 -0.063 18612 10716 1 15 . 1 1 158 158 GLU H H 158 8.138 8.138 8.128 0.010 18612 10717 1 15 . 1 1 159 159 ILE N N 159 119.508 119.508 120.330 -0.822 18612 10718 1 15 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.457 -0.029 18612 10719 1 15 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.904 -0.014 18612 10720 1 15 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.784 -7.784 18612 10721 1 15 . 1 1 159 159 ILE H H 159 8.482 8.482 7.703 0.779 18612 10722 1 15 . 1 1 160 160 LYS N N 160 121.513 121.513 118.789 2.724 18612 10723 1 15 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.958 -0.180 18612 10724 1 15 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.655 1.195 18612 10725 1 15 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.037 0.213 18612 10726 1 15 . 1 1 160 160 LYS H H 160 8.424 8.424 7.807 0.617 18612 10727 1 15 . 1 1 161 161 ARG N N 161 118.966 118.966 118.997 -0.031 18612 10728 1 15 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.088 -0.019 18612 10729 1 15 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.725 0.605 18612 10730 1 15 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.110 0.782 18612 10731 1 15 . 1 1 161 161 ARG H H 161 8.248 8.248 7.716 0.532 18612 10732 1 15 . 1 1 162 162 ARG N N 162 117.033 117.033 117.853 -0.820 18612 10733 1 15 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.253 -0.011 18612 10734 1 15 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.417 -0.359 18612 10735 1 15 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.228 1.562 18612 10736 1 15 . 1 1 162 162 ARG H H 162 7.811 7.811 7.845 -0.034 18612 10737 1 15 . 1 1 163 163 THR N N 163 108.588 108.588 114.614 -6.026 18612 10738 1 15 . 1 1 163 163 THR HA H 163 4.549 4.549 4.095 0.454 18612 10739 1 15 . 1 1 163 163 THR CA C 163 61.820 61.820 65.013 -3.193 18612 10740 1 15 . 1 1 163 163 THR CB C 163 70.020 70.020 69.046 0.974 18612 10741 1 15 . 1 1 163 163 THR H H 163 7.831 7.831 7.757 0.074 18612 10742 1 15 . 1 1 164 164 GLY N N 164 110.640 110.640 110.478 0.162 18612 10743 1 15 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.121 0.592 18612 10744 1 15 . 1 1 164 164 GLY H H 164 7.847 7.847 7.593 0.254 18612 10745 1 15 . 1 1 165 165 GLN N N 165 120.993 120.993 120.312 0.681 18612 10746 1 15 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.625 -0.683 18612 10747 1 15 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.441 2.636 18612 10748 1 15 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.985 -0.416 18612 10749 1 15 . 1 1 165 165 GLN H H 165 8.141 8.141 8.403 -0.262 18612 10750 1 15 . 1 1 167 167 LEU N N 167 122.540 122.540 124.488 -1.948 18612 10751 1 15 . 1 1 167 167 LEU H H 167 8.370 8.370 8.252 0.118 18612 10752 1 15 . 1 1 168 168 SER N N 168 116.635 116.635 115.707 0.928 18612 10753 1 15 . 1 1 168 168 SER H H 168 8.269 8.269 8.258 0.011 18612 10754 1 15 . 1 1 169 169 ILE N N 169 122.767 122.767 119.873 2.894 18612 10755 1 15 . 1 1 169 169 ILE H H 169 8.165 8.165 8.194 -0.029 18612 10756 1 16 . 1 1 2 2 GLU N N 2 120.329 120.329 120.332 -0.003 18612 10757 1 16 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.122 0.020 18612 10758 1 16 . 1 1 2 2 GLU CA C 2 59.070 59.070 59.320 -0.250 18612 10759 1 16 . 1 1 2 2 GLU CB C 2 29.500 29.500 29.835 -0.335 18612 10760 1 16 . 1 1 2 2 GLU H H 2 8.498 8.498 8.729 -0.231 18612 10761 1 16 . 1 1 3 3 ARG N N 3 121.547 121.547 118.336 3.211 18612 10762 1 16 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.017 0.007 18612 10763 1 16 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.221 0.019 18612 10764 1 16 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.837 0.113 18612 10765 1 16 . 1 1 3 3 ARG H H 3 8.238 8.238 8.470 -0.232 18612 10766 1 16 . 1 1 4 4 ALA N N 4 121.449 121.449 122.585 -1.136 18612 10767 1 16 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.035 0.168 18612 10768 1 16 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.171 -0.132 18612 10769 1 16 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.182 -0.272 18612 10770 1 16 . 1 1 4 4 ALA H H 4 8.068 8.068 8.206 -0.138 18612 10771 1 16 . 1 1 5 5 ALA N N 5 121.000 121.000 120.931 0.069 18612 10772 1 16 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.220 -0.002 18612 10773 1 16 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.949 -0.206 18612 10774 1 16 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.210 0.200 18612 10775 1 16 . 1 1 5 5 ALA H H 5 7.831 7.831 7.797 0.034 18612 10776 1 16 . 1 1 6 6 LEU N N 6 121.402 121.402 119.694 1.708 18612 10777 1 16 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.042 0.119 18612 10778 1 16 . 1 1 6 6 LEU CA C 6 57.950 57.950 57.898 0.052 18612 10779 1 16 . 1 1 6 6 LEU CB C 6 42.041 42.041 40.963 1.078 18612 10780 1 16 . 1 1 6 6 LEU H H 6 7.919 7.919 7.740 0.179 18612 10781 1 16 . 1 1 7 7 GLU N N 7 119.203 119.203 119.701 -0.498 18612 10782 1 16 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.901 -0.043 18612 10783 1 16 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.381 -0.151 18612 10784 1 16 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.796 -0.256 18612 10785 1 16 . 1 1 7 7 GLU H H 7 8.706 8.706 8.555 0.151 18612 10786 1 16 . 1 1 8 8 GLU N N 8 120.194 120.194 118.682 1.512 18612 10787 1 16 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.035 0.160 18612 10788 1 16 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.837 0.333 18612 10789 1 16 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.124 0.336 18612 10790 1 16 . 1 1 8 8 GLU H H 8 7.761 7.761 8.068 -0.307 18612 10791 1 16 . 1 1 9 9 LEU N N 9 120.526 120.526 121.431 -0.905 18612 10792 1 16 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.015 0.149 18612 10793 1 16 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.046 0.074 18612 10794 1 16 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.862 -0.074 18612 10795 1 16 . 1 1 9 9 LEU H H 9 7.913 7.913 7.774 0.139 18612 10796 1 16 . 1 1 10 10 VAL N N 10 120.804 120.804 119.351 1.453 18612 10797 1 16 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.556 -0.099 18612 10798 1 16 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.968 1.062 18612 10799 1 16 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.753 0.294 18612 10800 1 16 . 1 1 10 10 VAL H H 10 8.570 8.570 7.876 0.694 18612 10801 1 16 . 1 1 11 11 LYS N N 11 123.175 123.175 120.402 2.773 18612 10802 1 16 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.943 0.101 18612 10803 1 16 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.235 -0.365 18612 10804 1 16 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.236 0.156 18612 10805 1 16 . 1 1 11 11 LYS H H 11 7.909 7.909 7.650 0.259 18612 10806 1 16 . 1 1 12 12 LEU N N 12 120.772 120.772 118.293 2.479 18612 10807 1 16 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.006 0.100 18612 10808 1 16 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.465 0.455 18612 10809 1 16 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.696 0.141 18612 10810 1 16 . 1 1 12 12 LEU H H 12 8.436 8.436 7.929 0.507 18612 10811 1 16 . 1 1 13 13 GLN N N 13 121.677 121.677 119.729 1.948 18612 10812 1 16 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.018 0.316 18612 10813 1 16 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.734 -2.334 18612 10814 1 16 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.413 -1.893 18612 10815 1 16 . 1 1 13 13 GLN H H 13 8.710 8.710 7.948 0.762 18612 10816 1 16 . 1 1 14 14 GLY N N 14 109.543 109.543 107.730 1.813 18612 10817 1 16 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.985 0.578 18612 10818 1 16 . 1 1 14 14 GLY H H 14 8.714 8.714 8.710 0.004 18612 10819 1 16 . 1 1 15 15 GLU N N 15 123.144 123.144 121.958 1.186 18612 10820 1 16 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.021 0.127 18612 10821 1 16 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.682 -0.712 18612 10822 1 16 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.564 -0.104 18612 10823 1 16 . 1 1 15 15 GLU H H 15 7.913 7.913 7.847 0.066 18612 10824 1 16 . 1 1 16 16 ARG N N 16 123.135 123.135 119.413 3.722 18612 10825 1 16 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.074 0.064 18612 10826 1 16 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.257 -0.287 18612 10827 1 16 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.397 -0.997 18612 10828 1 16 . 1 1 16 16 ARG H H 16 8.104 8.104 7.705 0.399 18612 10829 1 16 . 1 1 17 17 VAL N N 17 119.501 119.501 119.161 0.340 18612 10830 1 16 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.619 -0.206 18612 10831 1 16 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.985 0.465 18612 10832 1 16 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.364 0.693 18612 10833 1 16 . 1 1 17 17 VAL H H 17 8.192 8.192 8.462 -0.270 18612 10834 1 16 . 1 1 18 18 ARG N N 18 119.372 119.372 120.089 -0.717 18612 10835 1 16 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.982 -0.048 18612 10836 1 16 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.969 0.091 18612 10837 1 16 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.945 0.327 18612 10838 1 16 . 1 1 18 18 ARG H H 18 7.980 7.980 8.645 -0.665 18612 10839 1 16 . 1 1 19 19 GLY N N 19 107.241 107.241 105.815 1.426 18612 10840 1 16 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.458 0.904 18612 10841 1 16 . 1 1 19 19 GLY H H 19 8.362 8.362 7.971 0.391 18612 10842 1 16 . 1 1 20 20 LEU N N 20 122.627 122.627 123.453 -0.826 18612 10843 1 16 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.138 -0.089 18612 10844 1 16 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.638 0.252 18612 10845 1 16 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.980 0.440 18612 10846 1 16 . 1 1 20 20 LEU H H 20 8.049 8.049 7.899 0.150 18612 10847 1 16 . 1 1 21 21 LYS N N 21 118.255 118.255 118.552 -0.297 18612 10848 1 16 . 1 1 21 21 LYS HA H 21 4.058 4.058 4.181 -0.123 18612 10849 1 16 . 1 1 21 21 LYS CA C 21 60.010 60.010 58.992 1.018 18612 10850 1 16 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.346 0.248 18612 10851 1 16 . 1 1 21 21 LYS H H 21 8.123 8.123 8.082 0.041 18612 10852 1 16 . 1 1 22 22 GLN N N 22 121.183 121.183 118.927 2.256 18612 10853 1 16 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.194 -0.107 18612 10854 1 16 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.575 0.185 18612 10855 1 16 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.038 -0.438 18612 10856 1 16 . 1 1 22 22 GLN H H 22 8.234 8.234 7.884 0.350 18612 10857 1 16 . 1 1 23 23 GLN N N 23 116.219 116.219 116.899 -0.680 18612 10858 1 16 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.266 -0.003 18612 10859 1 16 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.495 -1.817 18612 10860 1 16 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.692 -0.422 18612 10861 1 16 . 1 1 23 23 GLN H H 23 7.820 7.820 7.899 -0.079 18612 10862 1 16 . 1 1 24 24 LYS N N 24 117.349 117.349 116.691 0.658 18612 10863 1 16 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.502 -0.590 18612 10864 1 16 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.143 1.887 18612 10865 1 16 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.270 -4.420 18612 10866 1 16 . 1 1 24 24 LYS H H 24 7.884 7.884 7.797 0.087 18612 10867 1 16 . 1 1 25 25 ALA N N 25 119.909 119.909 122.217 -2.308 18612 10868 1 16 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.022 0.257 18612 10869 1 16 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.910 -1.890 18612 10870 1 16 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.988 3.332 18612 10871 1 16 . 1 1 25 25 ALA H H 25 7.620 7.620 7.242 0.378 18612 10872 1 16 . 1 1 26 26 SER N N 26 113.188 113.188 113.068 0.120 18612 10873 1 16 . 1 1 26 26 SER HA H 26 4.244 4.244 4.172 0.072 18612 10874 1 16 . 1 1 26 26 SER CA C 26 58.390 58.390 57.922 0.468 18612 10875 1 16 . 1 1 26 26 SER CB C 26 63.830 63.830 62.637 1.193 18612 10876 1 16 . 1 1 26 26 SER H H 26 8.228 8.228 8.438 -0.210 18612 10877 1 16 . 1 1 27 27 ALA N N 27 127.550 127.550 126.338 1.212 18612 10878 1 16 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.992 -0.008 18612 10879 1 16 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.800 0.782 18612 10880 1 16 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.329 0.441 18612 10881 1 16 . 1 1 27 27 ALA H H 27 8.769 8.769 8.604 0.165 18612 10882 1 16 . 1 1 28 28 GLU N N 28 117.317 117.317 117.953 -0.636 18612 10883 1 16 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.119 -0.045 18612 10884 1 16 . 1 1 28 28 GLU CA C 28 59.700 59.700 58.932 0.768 18612 10885 1 16 . 1 1 28 28 GLU CB C 28 29.080 29.080 28.699 0.381 18612 10886 1 16 . 1 1 28 28 GLU H H 28 8.830 8.830 8.998 -0.168 18612 10887 1 16 . 1 1 29 29 LEU N N 29 122.971 122.971 120.824 2.147 18612 10888 1 16 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.132 0.179 18612 10889 1 16 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.396 0.174 18612 10890 1 16 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.833 -0.228 18612 10891 1 16 . 1 1 29 29 LEU H H 29 7.401 7.401 7.825 -0.424 18612 10892 1 16 . 1 1 30 30 ILE N N 30 118.784 118.784 119.550 -0.766 18612 10893 1 16 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.704 -0.307 18612 10894 1 16 . 1 1 30 30 ILE CA C 30 66.310 66.310 63.075 3.235 18612 10895 1 16 . 1 1 30 30 ILE CB C 30 37.823 37.823 36.230 1.593 18612 10896 1 16 . 1 1 30 30 ILE H H 30 8.019 8.019 8.892 -0.873 18612 10897 1 16 . 1 1 31 31 GLU N N 31 118.215 118.215 120.319 -2.104 18612 10898 1 16 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.942 0.026 18612 10899 1 16 . 1 1 31 31 GLU CA C 31 59.840 59.840 60.048 -0.208 18612 10900 1 16 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.430 0.010 18612 10901 1 16 . 1 1 31 31 GLU H H 31 8.367 8.367 8.446 -0.079 18612 10902 1 16 . 1 1 32 32 GLU N N 32 120.284 120.284 118.705 1.579 18612 10903 1 16 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.070 0.084 18612 10904 1 16 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.654 -0.274 18612 10905 1 16 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.687 0.153 18612 10906 1 16 . 1 1 32 32 GLU H H 32 7.667 7.667 7.762 -0.095 18612 10907 1 16 . 1 1 33 33 GLU N N 33 120.010 120.010 119.724 0.286 18612 10908 1 16 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.034 0.184 18612 10909 1 16 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.542 -1.162 18612 10910 1 16 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.601 -1.421 18612 10911 1 16 . 1 1 33 33 GLU H H 33 8.156 8.156 8.424 -0.268 18612 10912 1 16 . 1 1 34 34 VAL N N 34 125.322 125.322 119.755 5.567 18612 10913 1 16 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.668 -0.026 18612 10914 1 16 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.368 0.482 18612 10915 1 16 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.078 0.762 18612 10916 1 16 . 1 1 34 34 VAL H H 34 9.243 9.243 8.487 0.756 18612 10917 1 16 . 1 1 35 35 ALA N N 35 123.214 123.214 121.794 1.420 18612 10918 1 16 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.884 0.214 18612 10919 1 16 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.431 0.311 18612 10920 1 16 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.225 -0.975 18612 10921 1 16 . 1 1 35 35 ALA H H 35 8.160 8.160 7.782 0.378 18612 10922 1 16 . 1 1 36 36 LYS N N 36 117.979 117.979 118.862 -0.883 18612 10923 1 16 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.969 0.026 18612 10924 1 16 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.513 0.287 18612 10925 1 16 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.264 0.598 18612 10926 1 16 . 1 1 36 36 LYS H H 36 7.607 7.607 7.701 -0.094 18612 10927 1 16 . 1 1 37 37 LEU N N 37 120.957 120.957 121.385 -0.428 18612 10928 1 16 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.092 -0.089 18612 10929 1 16 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.130 0.380 18612 10930 1 16 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.931 0.099 18612 10931 1 16 . 1 1 37 37 LEU H H 37 7.762 7.762 7.703 0.059 18612 10932 1 16 . 1 1 38 38 LEU N N 38 118.910 118.910 118.482 0.428 18612 10933 1 16 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.916 0.060 18612 10934 1 16 . 1 1 38 38 LEU CA C 38 58.270 58.270 57.867 0.403 18612 10935 1 16 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.012 -0.054 18612 10936 1 16 . 1 1 38 38 LEU H H 38 8.636 8.636 7.729 0.907 18612 10937 1 16 . 1 1 39 39 LYS N N 39 120.804 120.804 119.987 0.817 18612 10938 1 16 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.067 0.013 18612 10939 1 16 . 1 1 39 39 LYS CA C 39 59.451 59.451 58.828 0.623 18612 10940 1 16 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.021 0.637 18612 10941 1 16 . 1 1 39 39 LYS H H 39 7.864 7.864 7.533 0.331 18612 10942 1 16 . 1 1 40 40 LEU N N 40 120.940 120.940 120.165 0.775 18612 10943 1 16 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.004 0.106 18612 10944 1 16 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.087 -0.147 18612 10945 1 16 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.383 1.703 18612 10946 1 16 . 1 1 40 40 LEU H H 40 7.831 7.831 8.359 -0.528 18612 10947 1 16 . 1 1 41 41 LYS N N 41 117.563 117.563 118.954 -1.391 18612 10948 1 16 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.870 -0.020 18612 10949 1 16 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.897 0.183 18612 10950 1 16 . 1 1 41 41 LYS CB C 41 32.503 32.503 32.108 0.395 18612 10951 1 16 . 1 1 41 41 LYS H H 41 8.493 8.493 7.947 0.546 18612 10952 1 16 . 1 1 42 42 ALA N N 42 121.396 121.396 120.656 0.740 18612 10953 1 16 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.080 0.109 18612 10954 1 16 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.443 -0.163 18612 10955 1 16 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.265 -0.365 18612 10956 1 16 . 1 1 42 42 ALA H H 42 7.918 7.918 7.667 0.251 18612 10957 1 16 . 1 1 43 43 GLN N N 43 116.883 116.883 117.689 -0.806 18612 10958 1 16 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.054 0.082 18612 10959 1 16 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.243 -0.833 18612 10960 1 16 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.540 1.040 18612 10961 1 16 . 1 1 43 43 GLN H H 43 7.591 7.591 7.420 0.171 18612 10962 1 16 . 1 1 44 44 LEU N N 44 119.828 119.828 118.990 0.838 18612 10963 1 16 . 1 1 44 44 LEU HA H 44 4.208 4.208 3.826 0.382 18612 10964 1 16 . 1 1 44 44 LEU CA C 44 56.077 56.077 57.001 -0.924 18612 10965 1 16 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.080 0.347 18612 10966 1 16 . 1 1 44 44 LEU H H 44 7.574 7.574 7.682 -0.108 18612 10967 1 16 . 1 1 45 45 GLY N N 45 106.906 106.906 105.347 1.559 18612 10968 1 16 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.990 -0.466 18612 10969 1 16 . 1 1 45 45 GLY H H 45 7.687 7.687 7.514 0.173 18612 10970 1 16 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.689 -0.242 18612 10971 1 16 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.332 0.778 18612 10972 1 16 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.608 -0.178 18612 10973 1 16 . 1 1 47 47 ASP N N 47 121.060 121.060 120.338 0.722 18612 10974 1 16 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.694 -0.116 18612 10975 1 16 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.009 0.473 18612 10976 1 16 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.797 -0.794 18612 10977 1 16 . 1 1 47 47 ASP H H 47 8.446 8.446 8.475 -0.029 18612 10978 1 16 . 1 1 48 48 GLU N N 48 123.347 123.347 123.455 -0.108 18612 10979 1 16 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.254 -0.010 18612 10980 1 16 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.612 -0.682 18612 10981 1 16 . 1 1 48 48 GLU CB C 48 30.547 30.547 29.632 0.915 18612 10982 1 16 . 1 1 48 48 GLU H H 48 8.577 8.577 8.639 -0.062 18612 10983 1 16 . 1 1 49 49 SER N N 49 116.751 116.751 117.387 -0.636 18612 10984 1 16 . 1 1 49 49 SER HA H 49 4.349 4.349 4.162 0.187 18612 10985 1 16 . 1 1 49 49 SER CA C 49 59.380 59.380 59.072 0.308 18612 10986 1 16 . 1 1 49 49 SER CB C 49 63.460 63.460 62.884 0.576 18612 10987 1 16 . 1 1 49 49 SER H H 49 8.399 8.399 7.923 0.476 18612 10988 1 16 . 1 1 50 50 LYS N N 50 121.935 121.935 121.362 0.573 18612 10989 1 16 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.250 0.191 18612 10990 1 16 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.100 -0.580 18612 10991 1 16 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.455 -2.000 18612 10992 1 16 . 1 1 50 50 LYS H H 50 8.058 8.058 7.862 0.196 18612 10993 1 16 . 1 1 51 51 GLN N N 51 122.155 122.155 116.570 5.585 18612 10994 1 16 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.411 -0.208 18612 10995 1 16 . 1 1 51 51 GLN CA C 51 57.209 57.209 55.573 1.636 18612 10996 1 16 . 1 1 51 51 GLN CB C 51 30.788 30.788 28.653 2.135 18612 10997 1 16 . 1 1 51 51 GLN H H 51 8.273 8.273 8.346 -0.073 18612 10998 1 16 . 1 1 52 52 LYS N N 52 122.761 122.761 120.182 2.579 18612 10999 1 16 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.637 -0.322 18612 11000 1 16 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.531 0.949 18612 11001 1 16 . 1 1 52 52 LYS CB C 52 32.922 32.922 34.563 -1.641 18612 11002 1 16 . 1 1 52 52 LYS H H 52 8.251 8.251 7.959 0.292 18612 11003 1 16 . 1 1 53 53 PHE N N 53 121.326 121.326 119.274 2.052 18612 11004 1 16 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.003 0.641 18612 11005 1 16 . 1 1 53 53 PHE CA C 53 57.640 57.640 59.988 -2.348 18612 11006 1 16 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.717 0.871 18612 11007 1 16 . 1 1 53 53 PHE H H 53 8.153 8.153 8.552 -0.399 18612 11008 1 16 . 1 1 54 54 VAL N N 54 122.941 122.941 119.073 3.868 18612 11009 1 16 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.821 0.222 18612 11010 1 16 . 1 1 54 54 VAL CA C 54 61.980 61.980 63.809 -1.829 18612 11011 1 16 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.452 1.729 18612 11012 1 16 . 1 1 54 54 VAL H H 54 7.960 7.960 8.309 -0.349 18612 11013 1 16 . 1 1 55 55 LEU N N 55 126.751 126.751 127.931 -1.180 18612 11014 1 16 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.562 -0.249 18612 11015 1 16 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.981 0.079 18612 11016 1 16 . 1 1 55 55 LEU CB C 55 42.315 42.315 44.468 -2.153 18612 11017 1 16 . 1 1 55 55 LEU H H 55 8.226 8.226 8.077 0.149 18612 11018 1 16 . 1 1 56 56 LYS N N 56 123.614 123.614 123.386 0.228 18612 11019 1 16 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.722 -0.350 18612 11020 1 16 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.507 0.405 18612 11021 1 16 . 1 1 56 56 LYS CB C 56 33.191 33.191 34.138 -0.947 18612 11022 1 16 . 1 1 56 56 LYS H H 56 8.320 8.320 8.447 -0.127 18612 11023 1 16 . 1 1 57 57 THR N N 57 115.794 115.794 116.357 -0.563 18612 11024 1 16 . 1 1 57 57 THR HA H 57 4.349 4.349 4.819 -0.470 18612 11025 1 16 . 1 1 57 57 THR CA C 57 58.960 58.960 59.627 -0.666 18612 11026 1 16 . 1 1 57 57 THR CB C 57 70.740 70.740 68.333 2.407 18612 11027 1 16 . 1 1 57 57 THR H H 57 7.892 7.892 8.442 -0.550 18612 11028 1 16 . 1 1 59 59 LYS N N 59 121.755 121.755 114.265 7.490 18612 11029 1 16 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.529 -0.302 18612 11030 1 16 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.250 1.270 18612 11031 1 16 . 1 1 59 59 LYS CB C 59 33.094 33.094 32.404 0.690 18612 11032 1 16 . 1 1 59 59 LYS H H 59 8.300 8.300 8.214 0.086 18612 11033 1 16 . 1 1 60 60 ALA N N 60 125.263 125.263 121.839 3.424 18612 11034 1 16 . 1 1 60 60 ALA HA H 60 4.278 4.278 3.913 0.365 18612 11035 1 16 . 1 1 60 60 ALA CA C 60 52.864 52.864 54.293 -1.429 18612 11036 1 16 . 1 1 60 60 ALA CB C 60 18.980 18.980 17.159 1.821 18612 11037 1 16 . 1 1 60 60 ALA H H 60 8.290 8.290 7.422 0.868 18612 11038 1 16 . 1 1 61 61 LEU N N 61 121.255 121.255 120.003 1.252 18612 11039 1 16 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.226 0.054 18612 11040 1 16 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.443 0.142 18612 11041 1 16 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.712 -0.467 18612 11042 1 16 . 1 1 61 61 LEU H H 61 8.144 8.144 8.069 0.075 18612 11043 1 16 . 1 1 62 62 GLU N N 62 121.401 121.401 117.327 4.074 18612 11044 1 16 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.453 -0.177 18612 11045 1 16 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.895 1.034 18612 11046 1 16 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.073 0.162 18612 11047 1 16 . 1 1 62 62 GLU H H 62 8.266 8.266 8.418 -0.152 18612 11048 1 16 . 1 1 64 64 LYS N N 64 120.575 120.575 124.267 -3.692 18612 11049 1 16 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.604 -0.360 18612 11050 1 16 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.547 0.538 18612 11051 1 16 . 1 1 64 64 LYS CB C 64 29.470 29.470 35.038 -5.568 18612 11052 1 16 . 1 1 64 64 LYS H H 64 8.106 8.106 8.317 -0.211 18612 11053 1 16 . 1 1 65 65 ILE N N 65 122.492 122.492 121.134 1.358 18612 11054 1 16 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.497 -0.357 18612 11055 1 16 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.484 -0.304 18612 11056 1 16 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.362 -0.812 18612 11057 1 16 . 1 1 65 65 ILE H H 65 8.135 8.135 8.490 -0.355 18612 11058 1 16 . 1 1 66 66 ARG N N 66 125.714 125.714 125.241 0.473 18612 11059 1 16 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.472 -0.004 18612 11060 1 16 . 1 1 66 66 ARG CA C 66 56.067 56.067 56.416 -0.349 18612 11061 1 16 . 1 1 66 66 ARG CB C 66 31.026 31.026 32.759 -1.733 18612 11062 1 16 . 1 1 66 66 ARG H H 66 8.402 8.402 8.517 -0.115 18612 11063 1 16 . 1 1 67 67 THR N N 67 115.622 115.622 109.667 5.955 18612 11064 1 16 . 1 1 67 67 THR HA H 67 4.445 4.445 4.663 -0.218 18612 11065 1 16 . 1 1 67 67 THR CA C 67 61.650 61.650 61.104 0.546 18612 11066 1 16 . 1 1 67 67 THR CB C 67 69.620 69.620 70.014 -0.394 18612 11067 1 16 . 1 1 67 67 THR H H 67 8.281 8.281 7.555 0.726 18612 11068 1 16 . 1 1 68 68 THR N N 68 116.774 116.774 117.989 -1.215 18612 11069 1 16 . 1 1 68 68 THR HA H 68 4.503 4.503 4.307 0.196 18612 11070 1 16 . 1 1 68 68 THR CA C 68 61.050 61.050 63.800 -2.750 18612 11071 1 16 . 1 1 68 68 THR CB C 68 69.210 69.210 69.695 -0.485 18612 11072 1 16 . 1 1 68 68 THR H H 68 8.076 8.076 8.115 -0.039 18612 11073 1 16 . 1 1 69 69 GLU N N 69 124.048 124.048 121.244 2.804 18612 11074 1 16 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.476 -0.100 18612 11075 1 16 . 1 1 69 69 GLU CA C 69 56.400 56.400 55.845 0.555 18612 11076 1 16 . 1 1 69 69 GLU CB C 69 30.618 30.618 29.088 1.530 18612 11077 1 16 . 1 1 69 69 GLU H H 69 8.515 8.515 8.080 0.435 18612 11078 1 16 . 1 1 70 70 THR N N 70 118.988 118.988 115.777 3.211 18612 11079 1 16 . 1 1 70 70 THR HA H 70 3.741 3.741 4.154 -0.413 18612 11080 1 16 . 1 1 70 70 THR CA C 70 64.680 64.680 63.247 1.433 18612 11081 1 16 . 1 1 70 70 THR CB C 70 68.770 68.770 69.513 -0.743 18612 11082 1 16 . 1 1 70 70 THR H H 70 8.259 8.259 7.661 0.598 18612 11083 1 16 . 1 1 71 71 GLN N N 71 125.858 125.858 124.219 1.639 18612 11084 1 16 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.550 -0.256 18612 11085 1 16 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.212 1.188 18612 11086 1 16 . 1 1 71 71 GLN CB C 71 32.071 32.071 29.520 2.551 18612 11087 1 16 . 1 1 71 71 GLN H H 71 8.795 8.795 8.641 0.154 18612 11088 1 16 . 1 1 72 72 VAL N N 72 113.505 113.505 117.629 -4.124 18612 11089 1 16 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.975 -0.077 18612 11090 1 16 . 1 1 72 72 VAL CA C 72 58.620 58.620 60.334 -1.714 18612 11091 1 16 . 1 1 72 72 VAL CB C 72 35.404 35.404 36.099 -0.695 18612 11092 1 16 . 1 1 72 72 VAL H H 72 7.325 7.325 7.430 -0.105 18612 11093 1 16 . 1 1 73 73 LEU N N 73 128.725 128.725 123.037 5.688 18612 11094 1 16 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.836 0.256 18612 11095 1 16 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.736 -0.996 18612 11096 1 16 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.810 -0.729 18612 11097 1 16 . 1 1 73 73 LEU H H 73 8.170 8.170 8.395 -0.225 18612 11098 1 16 . 1 1 74 74 VAL N N 74 127.634 127.634 124.333 3.301 18612 11099 1 16 . 1 1 74 74 VAL HA H 74 4.766 4.766 5.002 -0.236 18612 11100 1 16 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.008 1.082 18612 11101 1 16 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.384 -1.694 18612 11102 1 16 . 1 1 74 74 VAL H H 74 8.913 8.913 8.610 0.303 18612 11103 1 16 . 1 1 75 75 ALA N N 75 132.602 132.602 130.044 2.558 18612 11104 1 16 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.843 -0.036 18612 11105 1 16 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.071 0.829 18612 11106 1 16 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.381 1.539 18612 11107 1 16 . 1 1 75 75 ALA H H 75 9.421 9.421 9.090 0.331 18612 11108 1 16 . 1 1 76 76 SER N N 76 111.274 111.274 113.211 -1.937 18612 11109 1 16 . 1 1 76 76 SER HA H 76 4.951 4.951 5.007 -0.056 18612 11110 1 16 . 1 1 76 76 SER CA C 76 56.940 56.940 56.281 0.659 18612 11111 1 16 . 1 1 76 76 SER CB C 76 65.960 65.960 64.834 1.126 18612 11112 1 16 . 1 1 76 76 SER H H 76 8.106 8.106 8.309 -0.203 18612 11113 1 16 . 1 1 77 77 ALA N N 77 125.393 125.393 123.583 1.810 18612 11114 1 16 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.584 -0.123 18612 11115 1 16 . 1 1 77 77 ALA CA C 77 52.754 52.754 52.783 -0.029 18612 11116 1 16 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.311 -0.571 18612 11117 1 16 . 1 1 77 77 ALA H H 77 9.004 9.004 8.378 0.626 18612 11118 1 16 . 1 1 78 78 GLN N N 78 116.290 116.290 116.932 -0.642 18612 11119 1 16 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.508 -0.065 18612 11120 1 16 . 1 1 78 78 GLN CA C 78 56.630 56.630 54.496 2.134 18612 11121 1 16 . 1 1 78 78 GLN CB C 78 30.553 30.553 30.730 -0.177 18612 11122 1 16 . 1 1 78 78 GLN H H 78 7.985 7.985 7.864 0.121 18612 11123 1 16 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.796 -0.233 18612 11124 1 16 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.463 -7.463 18612 11125 1 16 . 1 1 81 81 LEU CB C 81 41.021 41.021 41.449 -0.428 18612 11126 1 16 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.413 0.385 18612 11127 1 16 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.107 -0.201 18612 11128 1 16 . 1 1 85 85 ARG N N 85 119.948 119.948 119.651 0.297 18612 11129 1 16 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.145 -0.274 18612 11130 1 16 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.276 1.403 18612 11131 1 16 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.820 2.101 18612 11132 1 16 . 1 1 85 85 ARG H H 85 8.229 8.229 8.167 0.062 18612 11133 1 16 . 1 1 86 86 LEU N N 86 120.227 120.227 120.596 -0.369 18612 11134 1 16 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.033 -0.207 18612 11135 1 16 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.548 -0.359 18612 11136 1 16 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.855 -0.267 18612 11137 1 16 . 1 1 86 86 LEU H H 86 8.459 8.459 7.982 0.477 18612 11138 1 16 . 1 1 87 87 LYS N N 87 120.470 120.470 119.607 0.863 18612 11139 1 16 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.041 -0.020 18612 11140 1 16 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.638 -0.258 18612 11141 1 16 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.441 0.457 18612 11142 1 16 . 1 1 87 87 LYS H H 87 7.945 7.945 7.663 0.282 18612 11143 1 16 . 1 1 88 88 LEU N N 88 119.799 119.799 121.430 -1.631 18612 11144 1 16 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.077 0.130 18612 11145 1 16 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.918 -0.238 18612 11146 1 16 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.271 -0.046 18612 11147 1 16 . 1 1 88 88 LEU H H 88 7.547 7.547 7.826 -0.279 18612 11148 1 16 . 1 1 89 89 VAL N N 89 118.828 118.828 118.636 0.192 18612 11149 1 16 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.644 -0.326 18612 11150 1 16 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.773 0.977 18612 11151 1 16 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.544 0.834 18612 11152 1 16 . 1 1 89 89 VAL H H 89 8.347 8.347 8.701 -0.354 18612 11153 1 16 . 1 1 90 90 SER N N 90 114.835 114.835 116.000 -1.165 18612 11154 1 16 . 1 1 90 90 SER HA H 90 4.207 4.207 4.075 0.132 18612 11155 1 16 . 1 1 90 90 SER CA C 90 62.000 62.000 62.528 -0.528 18612 11156 1 16 . 1 1 90 90 SER CB C 90 62.770 62.770 62.756 0.014 18612 11157 1 16 . 1 1 90 90 SER H H 90 7.942 7.942 7.883 0.059 18612 11158 1 16 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.105 -0.062 18612 11159 1 16 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.678 -0.238 18612 11160 1 16 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.721 0.513 18612 11161 1 16 . 1 1 92 92 LEU N N 92 119.720 119.720 119.274 0.446 18612 11162 1 16 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.013 -0.065 18612 11163 1 16 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.218 -0.098 18612 11164 1 16 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.945 -1.369 18612 11165 1 16 . 1 1 92 92 LEU H H 92 8.379 8.379 8.298 0.081 18612 11166 1 16 . 1 1 93 93 GLN N N 93 120.938 120.938 120.785 0.153 18612 11167 1 16 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.658 -0.105 18612 11168 1 16 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.810 0.240 18612 11169 1 16 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.862 -0.882 18612 11170 1 16 . 1 1 93 93 GLN H H 93 8.751 8.751 8.328 0.423 18612 11171 1 16 . 1 1 94 94 ASP N N 94 122.442 122.442 120.837 1.605 18612 11172 1 16 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.433 0.026 18612 11173 1 16 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.651 0.449 18612 11174 1 16 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.070 -0.809 18612 11175 1 16 . 1 1 94 94 ASP H H 94 8.470 8.470 8.321 0.149 18612 11176 1 16 . 1 1 95 95 ALA N N 95 120.437 120.437 119.837 0.600 18612 11177 1 16 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.437 0.075 18612 11178 1 16 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.642 -1.897 18612 11179 1 16 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.498 0.522 18612 11180 1 16 . 1 1 95 95 ALA H H 95 7.340 7.340 7.787 -0.447 18612 11181 1 16 . 1 1 96 96 GLY N N 96 106.865 106.865 104.465 2.400 18612 11182 1 16 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.904 0.386 18612 11183 1 16 . 1 1 96 96 GLY H H 96 7.987 7.987 7.605 0.382 18612 11184 1 16 . 1 1 97 97 ILE N N 97 122.489 122.489 114.591 7.898 18612 11185 1 16 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.578 -0.324 18612 11186 1 16 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.510 0.140 18612 11187 1 16 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.136 -3.163 18612 11188 1 16 . 1 1 97 97 ILE H H 97 8.062 8.062 8.294 -0.232 18612 11189 1 16 . 1 1 98 98 LYS N N 98 127.459 127.459 124.029 3.430 18612 11190 1 16 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.309 0.198 18612 11191 1 16 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.768 -0.847 18612 11192 1 16 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.740 -0.306 18612 11193 1 16 . 1 1 98 98 LYS H H 98 8.574 8.574 8.743 -0.169 18612 11194 1 16 . 1 1 99 99 ALA N N 99 130.423 130.423 128.377 2.046 18612 11195 1 16 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.250 0.514 18612 11196 1 16 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.732 -1.521 18612 11197 1 16 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.137 3.733 18612 11198 1 16 . 1 1 99 99 ALA H H 99 7.813 7.813 8.089 -0.276 18612 11199 1 16 . 1 1 100 100 GLU N N 100 118.988 118.988 122.013 -3.025 18612 11200 1 16 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.687 0.148 18612 11201 1 16 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.416 0.291 18612 11202 1 16 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.241 2.680 18612 11203 1 16 . 1 1 100 100 GLU H H 100 8.226 8.226 8.474 -0.248 18612 11204 1 16 . 1 1 101 101 LEU N N 101 120.024 120.024 118.880 1.144 18612 11205 1 16 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.045 0.669 18612 11206 1 16 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.904 0.856 18612 11207 1 16 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.893 0.191 18612 11208 1 16 . 1 1 101 101 LEU H H 101 8.478 8.478 8.417 0.061 18612 11209 1 16 . 1 1 102 102 LEU N N 102 118.623 118.623 122.736 -4.113 18612 11210 1 16 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.414 -0.380 18612 11211 1 16 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.225 4.235 18612 11212 1 16 . 1 1 102 102 LEU CB C 102 41.225 41.225 42.621 -1.397 18612 11213 1 16 . 1 1 102 102 LEU H H 102 8.763 8.763 7.496 1.267 18612 11214 1 16 . 1 1 103 103 TYR N N 103 115.970 115.970 116.271 -0.301 18612 11215 1 16 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.494 0.088 18612 11216 1 16 . 1 1 103 103 TYR CA C 103 55.973 55.973 58.943 -2.970 18612 11217 1 16 . 1 1 103 103 TYR CB C 103 38.732 38.732 37.111 1.621 18612 11218 1 16 . 1 1 103 103 TYR H H 103 7.378 7.378 8.357 -0.979 18612 11219 1 16 . 1 1 104 104 LYS N N 104 120.577 120.577 119.405 1.172 18612 11220 1 16 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.462 -0.323 18612 11221 1 16 . 1 1 104 104 LYS CA C 104 56.480 56.480 55.547 0.933 18612 11222 1 16 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.795 -0.873 18612 11223 1 16 . 1 1 104 104 LYS H H 104 7.906 7.906 8.094 -0.188 18612 11224 1 16 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.031 -0.002 18612 11225 1 16 . 1 1 112 112 GLN HA H 112 3.999 3.999 3.979 0.020 18612 11226 1 16 . 1 1 113 113 LEU N N 113 120.147 120.147 121.191 -1.044 18612 11227 1 16 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.217 -0.234 18612 11228 1 16 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.026 0.394 18612 11229 1 16 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.224 -0.631 18612 11230 1 16 . 1 1 113 113 LEU H H 113 8.365 8.365 8.727 -0.362 18612 11231 1 16 . 1 1 114 114 GLN N N 114 119.995 119.995 118.015 1.980 18612 11232 1 16 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.055 -0.018 18612 11233 1 16 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.042 -0.072 18612 11234 1 16 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.226 -0.035 18612 11235 1 16 . 1 1 114 114 GLN H H 114 8.126 8.126 7.735 0.391 18612 11236 1 16 . 1 1 115 115 TYR N N 115 120.358 120.358 119.450 0.908 18612 11237 1 16 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.266 0.029 18612 11238 1 16 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.743 0.287 18612 11239 1 16 . 1 1 115 115 TYR CB C 115 37.769 37.769 37.887 -0.118 18612 11240 1 16 . 1 1 115 115 TYR H H 115 7.819 7.819 8.131 -0.312 18612 11241 1 16 . 1 1 116 116 CYS N N 116 116.264 116.264 117.279 -1.015 18612 11242 1 16 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.012 -0.196 18612 11243 1 16 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.992 2.238 18612 11244 1 16 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.727 -0.407 18612 11245 1 16 . 1 1 116 116 CYS H H 116 7.710 7.710 8.239 -0.529 18612 11246 1 16 . 1 1 117 117 GLU N N 117 119.526 119.526 120.420 -0.894 18612 11247 1 16 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.049 -0.201 18612 11248 1 16 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.148 0.002 18612 11249 1 16 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.839 -0.139 18612 11250 1 16 . 1 1 117 117 GLU H H 117 7.912 7.912 8.281 -0.369 18612 11251 1 16 . 1 1 118 118 GLU N N 118 119.875 119.875 117.335 2.540 18612 11252 1 16 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.228 -0.259 18612 11253 1 16 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.413 0.367 18612 11254 1 16 . 1 1 118 118 GLU CB C 118 29.810 29.810 30.103 -0.293 18612 11255 1 16 . 1 1 118 118 GLU H H 118 7.988 7.988 8.201 -0.213 18612 11256 1 16 . 1 1 119 119 ALA N N 119 119.118 119.118 120.304 -1.186 18612 11257 1 16 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.307 -0.141 18612 11258 1 16 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.339 -0.685 18612 11259 1 16 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.887 -0.807 18612 11260 1 16 . 1 1 119 119 ALA H H 119 8.137 8.137 7.719 0.418 18612 11261 1 16 . 1 1 120 120 GLY N N 120 106.604 106.604 107.716 -1.112 18612 11262 1 16 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.327 2.050 18612 11263 1 16 . 1 1 120 120 GLY H H 120 7.550 7.550 8.030 -0.480 18612 11264 1 16 . 1 1 121 121 ILE N N 121 124.026 124.026 117.804 6.222 18612 11265 1 16 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.393 -0.382 18612 11266 1 16 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.586 0.464 18612 11267 1 16 . 1 1 121 121 ILE CB C 121 40.051 40.051 35.684 4.367 18612 11268 1 16 . 1 1 121 121 ILE H H 121 7.918 7.918 8.184 -0.266 18612 11269 1 16 . 1 1 123 123 LEU N N 123 119.541 119.541 119.437 0.104 18612 11270 1 16 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.618 0.885 18612 11271 1 16 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.038 -0.352 18612 11272 1 16 . 1 1 123 123 LEU CB C 123 47.057 47.057 43.700 3.357 18612 11273 1 16 . 1 1 123 123 LEU H H 123 6.973 6.973 7.735 -0.762 18612 11274 1 16 . 1 1 124 124 VAL N N 124 119.580 119.580 122.832 -3.252 18612 11275 1 16 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.890 0.146 18612 11276 1 16 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.298 -0.718 18612 11277 1 16 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.683 -1.426 18612 11278 1 16 . 1 1 124 124 VAL H H 124 8.823 8.823 8.196 0.627 18612 11279 1 16 . 1 1 125 125 ALA N N 125 130.810 130.810 124.553 6.257 18612 11280 1 16 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.983 0.173 18612 11281 1 16 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.464 -2.269 18612 11282 1 16 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.045 -1.985 18612 11283 1 16 . 1 1 125 125 ALA H H 125 9.083 9.083 8.661 0.422 18612 11284 1 16 . 1 1 126 126 ILE N N 126 124.925 124.925 124.266 0.659 18612 11285 1 16 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.438 -0.935 18612 11286 1 16 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.508 1.452 18612 11287 1 16 . 1 1 126 126 ILE CB C 126 39.805 39.805 42.618 -2.813 18612 11288 1 16 . 1 1 126 126 ILE H H 126 9.564 9.564 8.013 1.551 18612 11289 1 16 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.711 -0.068 18612 11290 1 16 . 1 1 127 127 ILE CA C 127 59.440 59.440 58.868 0.572 18612 11291 1 16 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.876 0.126 18612 11292 1 16 . 1 1 129 129 GLU N N 129 121.547 121.547 116.613 4.934 18612 11293 1 16 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.255 -0.307 18612 11294 1 16 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.090 3.310 18612 11295 1 16 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.468 0.834 18612 11296 1 16 . 1 1 129 129 GLU H H 129 9.035 9.035 8.180 0.855 18612 11297 1 16 . 1 1 130 130 GLN N N 130 120.221 120.221 119.114 1.107 18612 11298 1 16 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.112 -0.235 18612 11299 1 16 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.521 -1.101 18612 11300 1 16 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.757 -0.357 18612 11301 1 16 . 1 1 130 130 GLN H H 130 8.914 8.914 8.416 0.497 18612 11302 1 16 . 1 1 131 131 GLU N N 131 120.680 120.680 119.609 1.071 18612 11303 1 16 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.209 -0.270 18612 11304 1 16 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.851 2.359 18612 11305 1 16 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.424 -1.254 18612 11306 1 16 . 1 1 131 131 GLU H H 131 8.871 8.871 8.631 0.240 18612 11307 1 16 . 1 1 132 132 LEU N N 132 118.303 118.303 118.410 -0.107 18612 11308 1 16 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.157 0.205 18612 11309 1 16 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.649 -1.533 18612 11310 1 16 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.167 0.656 18612 11311 1 16 . 1 1 132 132 LEU H H 132 8.152 8.152 8.273 -0.121 18612 11312 1 16 . 1 1 133 133 LYS N N 133 120.924 120.924 118.122 2.802 18612 11313 1 16 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.128 -0.047 18612 11314 1 16 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.660 0.920 18612 11315 1 16 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.565 -0.093 18612 11316 1 16 . 1 1 133 133 LYS H H 133 7.631 7.631 7.395 0.236 18612 11317 1 16 . 1 1 134 134 ASP N N 134 118.256 118.256 116.860 1.396 18612 11318 1 16 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.579 0.090 18612 11319 1 16 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.733 -0.582 18612 11320 1 16 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.836 -0.455 18612 11321 1 16 . 1 1 134 134 ASP H H 134 7.985 7.985 7.882 0.103 18612 11322 1 16 . 1 1 135 135 GLY N N 135 109.383 109.383 107.099 2.284 18612 11323 1 16 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.562 1.001 18612 11324 1 16 . 1 1 135 135 GLY H H 135 8.019 8.019 8.232 -0.213 18612 11325 1 16 . 1 1 136 136 VAL N N 136 117.112 117.112 120.587 -3.475 18612 11326 1 16 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.326 0.577 18612 11327 1 16 . 1 1 136 136 VAL CA C 136 59.950 59.950 62.524 -2.574 18612 11328 1 16 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.013 2.872 18612 11329 1 16 . 1 1 136 136 VAL H H 136 8.229 8.229 8.312 -0.083 18612 11330 1 16 . 1 1 137 137 ILE N N 137 121.971 121.971 119.200 2.771 18612 11331 1 16 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.250 -0.076 18612 11332 1 16 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.709 -1.149 18612 11333 1 16 . 1 1 137 137 ILE CB C 137 40.789 40.789 40.158 0.631 18612 11334 1 16 . 1 1 137 137 ILE H H 137 8.975 8.975 8.103 0.872 18612 11335 1 16 . 1 1 138 138 LYS N N 138 126.613 126.613 126.775 -0.162 18612 11336 1 16 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.143 -0.219 18612 11337 1 16 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.820 0.895 18612 11338 1 16 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.077 -0.860 18612 11339 1 16 . 1 1 138 138 LYS H H 138 7.726 7.726 8.589 -0.863 18612 11340 1 16 . 1 1 139 139 LEU N N 139 129.177 129.177 125.381 3.796 18612 11341 1 16 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.798 0.405 18612 11342 1 16 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.174 0.116 18612 11343 1 16 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.148 0.612 18612 11344 1 16 . 1 1 139 139 LEU H H 139 9.404 9.404 9.000 0.404 18612 11345 1 16 . 1 1 140 140 ARG N N 140 128.243 128.243 126.397 1.846 18612 11346 1 16 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.357 0.905 18612 11347 1 16 . 1 1 140 140 ARG CA C 140 53.685 53.685 56.600 -2.915 18612 11348 1 16 . 1 1 140 140 ARG CB C 140 27.990 27.990 29.981 -1.991 18612 11349 1 16 . 1 1 140 140 ARG H H 140 9.540 9.540 8.640 0.900 18612 11350 1 16 . 1 1 142 142 VAL N N 142 129.670 129.670 119.789 9.881 18612 11351 1 16 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.694 -0.147 18612 11352 1 16 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.254 0.696 18612 11353 1 16 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.368 1.320 18612 11354 1 16 . 1 1 142 142 VAL H H 142 8.336 8.336 7.852 0.484 18612 11355 1 16 . 1 1 143 143 THR N N 143 111.061 111.061 113.552 -2.491 18612 11356 1 16 . 1 1 143 143 THR HA H 143 4.157 4.157 4.167 -0.010 18612 11357 1 16 . 1 1 143 143 THR CA C 143 69.400 69.400 64.893 4.507 18612 11358 1 16 . 1 1 143 143 THR CB C 143 70.020 70.020 69.341 0.679 18612 11359 1 16 . 1 1 143 143 THR H H 143 8.248 8.248 7.794 0.454 18612 11360 1 16 . 1 1 144 144 SER N N 144 115.158 115.158 115.577 -0.419 18612 11361 1 16 . 1 1 144 144 SER HA H 144 4.514 4.514 4.421 0.093 18612 11362 1 16 . 1 1 144 144 SER CA C 144 58.370 58.370 60.073 -1.703 18612 11363 1 16 . 1 1 144 144 SER CB C 144 64.500 64.500 64.131 0.369 18612 11364 1 16 . 1 1 144 144 SER H H 144 7.812 7.812 8.475 -0.663 18612 11365 1 16 . 1 1 145 145 ARG N N 145 116.527 116.527 119.591 -3.064 18612 11366 1 16 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.476 -0.650 18612 11367 1 16 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.306 1.994 18612 11368 1 16 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.576 -4.376 18612 11369 1 16 . 1 1 145 145 ARG H H 145 7.836 7.836 7.864 -0.028 18612 11370 1 16 . 1 1 146 146 GLU N N 146 119.889 119.889 115.185 4.704 18612 11371 1 16 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.344 -0.075 18612 11372 1 16 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.811 0.119 18612 11373 1 16 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.834 -0.196 18612 11374 1 16 . 1 1 146 146 GLU H H 146 7.675 7.675 8.428 -0.753 18612 11375 1 16 . 1 1 147 147 GLU N N 147 124.286 124.286 120.959 3.327 18612 11376 1 16 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.775 0.544 18612 11377 1 16 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.849 -0.914 18612 11378 1 16 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.995 0.745 18612 11379 1 16 . 1 1 147 147 GLU H H 147 8.602 8.602 8.073 0.529 18612 11380 1 16 . 1 1 148 148 VAL N N 148 120.587 120.587 123.327 -2.740 18612 11381 1 16 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.508 0.026 18612 11382 1 16 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.289 0.371 18612 11383 1 16 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.064 -0.374 18612 11384 1 16 . 1 1 148 148 VAL H H 148 8.536 8.536 8.253 0.283 18612 11385 1 16 . 1 1 149 149 ASP N N 149 125.031 125.031 124.552 0.479 18612 11386 1 16 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.263 -0.109 18612 11387 1 16 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.759 0.154 18612 11388 1 16 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.116 -1.335 18612 11389 1 16 . 1 1 149 149 ASP H H 149 8.411 8.411 8.363 0.048 18612 11390 1 16 . 1 1 150 150 VAL N N 150 123.264 123.264 117.938 5.326 18612 11391 1 16 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.582 -0.182 18612 11392 1 16 . 1 1 150 150 VAL CA C 150 59.640 59.640 60.307 -0.667 18612 11393 1 16 . 1 1 150 150 VAL CB C 150 35.025 35.025 34.543 0.482 18612 11394 1 16 . 1 1 150 150 VAL H H 150 9.061 9.061 8.912 0.149 18612 11395 1 16 . 1 1 151 151 ARG N N 151 125.112 125.112 120.072 5.040 18612 11396 1 16 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.811 -0.403 18612 11397 1 16 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.931 2.179 18612 11398 1 16 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.531 -0.641 18612 11399 1 16 . 1 1 151 151 ARG H H 151 9.048 9.048 8.608 0.440 18612 11400 1 16 . 1 1 152 152 ARG N N 152 124.828 124.828 117.481 7.347 18612 11401 1 16 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.847 -0.181 18612 11402 1 16 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.336 0.694 18612 11403 1 16 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.381 1.629 18612 11404 1 16 . 1 1 152 152 ARG H H 152 8.582 8.582 8.677 -0.095 18612 11405 1 16 . 1 1 153 153 GLU N N 153 116.730 116.730 118.905 -2.175 18612 11406 1 16 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.066 0.134 18612 11407 1 16 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.383 -0.413 18612 11408 1 16 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.115 -0.535 18612 11409 1 16 . 1 1 153 153 GLU H H 153 9.924 9.924 8.243 1.681 18612 11410 1 16 . 1 1 154 154 ASP N N 154 119.318 119.318 118.599 0.719 18612 11411 1 16 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.454 0.564 18612 11412 1 16 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.099 -1.707 18612 11413 1 16 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.345 1.945 18612 11414 1 16 . 1 1 154 154 ASP H H 154 7.758 7.758 8.513 -0.755 18612 11415 1 16 . 1 1 155 155 LEU N N 155 121.863 121.863 121.125 0.738 18612 11416 1 16 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.037 -0.222 18612 11417 1 16 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.798 1.371 18612 11418 1 16 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.997 0.631 18612 11419 1 16 . 1 1 155 155 LEU H H 155 7.315 7.315 7.710 -0.395 18612 11420 1 16 . 1 1 156 156 VAL N N 156 118.555 118.555 117.758 0.797 18612 11421 1 16 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.590 -0.335 18612 11422 1 16 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.725 0.935 18612 11423 1 16 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.759 -0.529 18612 11424 1 16 . 1 1 156 156 VAL H H 156 8.490 8.490 7.906 0.584 18612 11425 1 16 . 1 1 157 157 GLU N N 157 118.568 118.568 120.053 -1.485 18612 11426 1 16 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.017 -0.107 18612 11427 1 16 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.912 -0.492 18612 11428 1 16 . 1 1 157 157 GLU H H 157 8.138 8.138 7.915 0.223 18612 11429 1 16 . 1 1 158 158 GLU N N 158 118.484 118.484 120.190 -1.706 18612 11430 1 16 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.085 0.055 18612 11431 1 16 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.831 -2.541 18612 11432 1 16 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.730 -0.255 18612 11433 1 16 . 1 1 158 158 GLU H H 158 8.138 8.138 8.099 0.039 18612 11434 1 16 . 1 1 159 159 ILE N N 159 119.508 119.508 117.012 2.496 18612 11435 1 16 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.660 -0.232 18612 11436 1 16 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.301 0.589 18612 11437 1 16 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.481 -7.481 18612 11438 1 16 . 1 1 159 159 ILE H H 159 8.482 8.482 7.773 0.709 18612 11439 1 16 . 1 1 160 160 LYS N N 160 121.513 121.513 120.522 0.991 18612 11440 1 16 . 1 1 160 160 LYS HA H 160 3.778 3.778 4.036 -0.258 18612 11441 1 16 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.084 1.766 18612 11442 1 16 . 1 1 160 160 LYS CB C 160 32.250 32.250 31.902 0.348 18612 11443 1 16 . 1 1 160 160 LYS H H 160 8.424 8.424 7.913 0.511 18612 11444 1 16 . 1 1 161 161 ARG N N 161 118.966 118.966 119.026 -0.060 18612 11445 1 16 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.097 -0.028 18612 11446 1 16 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.517 0.813 18612 11447 1 16 . 1 1 161 161 ARG CB C 161 30.892 30.892 29.851 1.041 18612 11448 1 16 . 1 1 161 161 ARG H H 161 8.248 8.248 7.778 0.470 18612 11449 1 16 . 1 1 162 162 ARG N N 162 117.033 117.033 117.084 -0.051 18612 11450 1 16 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.259 -0.017 18612 11451 1 16 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.084 -0.026 18612 11452 1 16 . 1 1 162 162 ARG CB C 162 31.790 31.790 31.082 0.708 18612 11453 1 16 . 1 1 162 162 ARG H H 162 7.811 7.811 7.935 -0.124 18612 11454 1 16 . 1 1 163 163 THR N N 163 108.588 108.588 111.115 -2.527 18612 11455 1 16 . 1 1 163 163 THR HA H 163 4.549 4.549 4.029 0.520 18612 11456 1 16 . 1 1 163 163 THR CA C 163 61.820 61.820 63.910 -2.090 18612 11457 1 16 . 1 1 163 163 THR CB C 163 70.020 70.020 67.752 2.268 18612 11458 1 16 . 1 1 163 163 THR H H 163 7.831 7.831 8.513 -0.682 18612 11459 1 16 . 1 1 164 164 GLY N N 164 110.640 110.640 107.058 3.582 18612 11460 1 16 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.672 1.041 18612 11461 1 16 . 1 1 164 164 GLY H H 164 7.847 7.847 7.870 -0.023 18612 11462 1 16 . 1 1 165 165 GLN N N 165 120.993 120.993 120.133 0.860 18612 11463 1 16 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.545 -0.603 18612 11464 1 16 . 1 1 165 165 GLN CA C 165 56.077 56.077 57.486 -1.409 18612 11465 1 16 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.242 0.327 18612 11466 1 16 . 1 1 165 165 GLN H H 165 8.141 8.141 8.459 -0.318 18612 11467 1 16 . 1 1 167 167 LEU N N 167 122.540 122.540 120.936 1.604 18612 11468 1 16 . 1 1 167 167 LEU H H 167 8.370 8.370 7.615 0.755 18612 11469 1 16 . 1 1 168 168 SER N N 168 116.635 116.635 119.378 -2.743 18612 11470 1 16 . 1 1 168 168 SER H H 168 8.269 8.269 8.516 -0.247 18612 11471 1 16 . 1 1 169 169 ILE N N 169 122.767 122.767 121.357 1.410 18612 11472 1 16 . 1 1 169 169 ILE H H 169 8.165 8.165 8.314 -0.149 18612 11473 1 17 . 1 1 2 2 GLU N N 2 120.329 120.329 119.298 1.031 18612 11474 1 17 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.487 -0.345 18612 11475 1 17 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.671 2.399 18612 11476 1 17 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.343 -0.843 18612 11477 1 17 . 1 1 2 2 GLU H H 2 8.498 8.498 8.552 -0.054 18612 11478 1 17 . 1 1 3 3 ARG N N 3 121.547 121.547 120.224 1.323 18612 11479 1 17 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.989 0.035 18612 11480 1 17 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.117 0.123 18612 11481 1 17 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.860 0.090 18612 11482 1 17 . 1 1 3 3 ARG H H 3 8.238 8.238 8.459 -0.221 18612 11483 1 17 . 1 1 4 4 ALA N N 4 121.449 121.449 120.920 0.529 18612 11484 1 17 . 1 1 4 4 ALA HA H 4 4.203 4.203 3.989 0.214 18612 11485 1 17 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.462 -0.423 18612 11486 1 17 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.180 -0.271 18612 11487 1 17 . 1 1 4 4 ALA H H 4 8.068 8.068 8.159 -0.091 18612 11488 1 17 . 1 1 5 5 ALA N N 5 121.000 121.000 120.213 0.787 18612 11489 1 17 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.075 0.143 18612 11490 1 17 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.528 0.215 18612 11491 1 17 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.087 0.323 18612 11492 1 17 . 1 1 5 5 ALA H H 5 7.831 7.831 7.871 -0.040 18612 11493 1 17 . 1 1 6 6 LEU N N 6 121.402 121.402 120.062 1.340 18612 11494 1 17 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.893 0.268 18612 11495 1 17 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.107 -0.157 18612 11496 1 17 . 1 1 6 6 LEU CB C 6 42.041 42.041 40.849 1.192 18612 11497 1 17 . 1 1 6 6 LEU H H 6 7.919 7.919 7.837 0.082 18612 11498 1 17 . 1 1 7 7 GLU N N 7 119.203 119.203 118.362 0.841 18612 11499 1 17 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.893 -0.035 18612 11500 1 17 . 1 1 7 7 GLU CA C 7 60.230 60.230 59.958 0.272 18612 11501 1 17 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.411 0.129 18612 11502 1 17 . 1 1 7 7 GLU H H 7 8.706 8.706 8.552 0.154 18612 11503 1 17 . 1 1 8 8 GLU N N 8 120.194 120.194 120.311 -0.117 18612 11504 1 17 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.057 0.138 18612 11505 1 17 . 1 1 8 8 GLU CA C 8 59.170 59.170 59.217 -0.047 18612 11506 1 17 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.404 0.056 18612 11507 1 17 . 1 1 8 8 GLU H H 8 7.761 7.761 7.778 -0.017 18612 11508 1 17 . 1 1 9 9 LEU N N 9 120.526 120.526 119.869 0.657 18612 11509 1 17 . 1 1 9 9 LEU HA H 9 4.164 4.164 3.999 0.165 18612 11510 1 17 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.394 -0.274 18612 11511 1 17 . 1 1 9 9 LEU CB C 9 41.788 41.788 42.032 -0.244 18612 11512 1 17 . 1 1 9 9 LEU H H 9 7.913 7.913 8.350 -0.437 18612 11513 1 17 . 1 1 10 10 VAL N N 10 120.804 120.804 118.957 1.847 18612 11514 1 17 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.480 -0.023 18612 11515 1 17 . 1 1 10 10 VAL CA C 10 67.030 67.030 65.906 1.124 18612 11516 1 17 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.538 1.508 18612 11517 1 17 . 1 1 10 10 VAL H H 10 8.570 8.570 7.769 0.801 18612 11518 1 17 . 1 1 11 11 LYS N N 11 123.175 123.175 120.639 2.536 18612 11519 1 17 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.981 0.063 18612 11520 1 17 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.165 -0.295 18612 11521 1 17 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.368 0.024 18612 11522 1 17 . 1 1 11 11 LYS H H 11 7.909 7.909 7.709 0.200 18612 11523 1 17 . 1 1 12 12 LEU N N 12 120.772 120.772 117.064 3.708 18612 11524 1 17 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.027 0.079 18612 11525 1 17 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.384 0.536 18612 11526 1 17 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.529 0.309 18612 11527 1 17 . 1 1 12 12 LEU H H 12 8.436 8.436 7.756 0.680 18612 11528 1 17 . 1 1 13 13 GLN N N 13 121.677 121.677 119.683 1.994 18612 11529 1 17 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.102 0.232 18612 11530 1 17 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.987 -2.587 18612 11531 1 17 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.275 -1.755 18612 11532 1 17 . 1 1 13 13 GLN H H 13 8.710 8.710 7.432 1.278 18612 11533 1 17 . 1 1 14 14 GLY N N 14 109.543 109.543 107.769 1.774 18612 11534 1 17 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.149 0.414 18612 11535 1 17 . 1 1 14 14 GLY H H 14 8.714 8.714 8.805 -0.091 18612 11536 1 17 . 1 1 15 15 GLU N N 15 123.144 123.144 121.518 1.626 18612 11537 1 17 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.046 0.102 18612 11538 1 17 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.195 -0.225 18612 11539 1 17 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.583 -0.123 18612 11540 1 17 . 1 1 15 15 GLU H H 15 7.913 7.913 7.960 -0.047 18612 11541 1 17 . 1 1 16 16 ARG N N 16 123.135 123.135 120.836 2.299 18612 11542 1 17 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.093 0.045 18612 11543 1 17 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.195 -0.225 18612 11544 1 17 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.252 -0.852 18612 11545 1 17 . 1 1 16 16 ARG H H 16 8.104 8.104 7.666 0.438 18612 11546 1 17 . 1 1 17 17 VAL N N 17 119.501 119.501 119.056 0.445 18612 11547 1 17 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.566 -0.153 18612 11548 1 17 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.943 0.507 18612 11549 1 17 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.298 0.760 18612 11550 1 17 . 1 1 17 17 VAL H H 17 8.192 8.192 8.507 -0.315 18612 11551 1 17 . 1 1 18 18 ARG N N 18 119.372 119.372 119.658 -0.286 18612 11552 1 17 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.999 -0.065 18612 11553 1 17 . 1 1 18 18 ARG CA C 18 60.060 60.060 60.049 0.011 18612 11554 1 17 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.996 0.276 18612 11555 1 17 . 1 1 18 18 ARG H H 18 7.980 7.980 7.995 -0.015 18612 11556 1 17 . 1 1 19 19 GLY N N 19 107.241 107.241 106.033 1.208 18612 11557 1 17 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.426 0.936 18612 11558 1 17 . 1 1 19 19 GLY H H 19 8.362 8.362 7.972 0.390 18612 11559 1 17 . 1 1 20 20 LEU N N 20 122.627 122.627 123.254 -0.627 18612 11560 1 17 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.123 -0.074 18612 11561 1 17 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.372 0.518 18612 11562 1 17 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.954 0.466 18612 11563 1 17 . 1 1 20 20 LEU H H 20 8.049 8.049 8.057 -0.008 18612 11564 1 17 . 1 1 21 21 LYS N N 21 118.255 118.255 119.128 -0.873 18612 11565 1 17 . 1 1 21 21 LYS HA H 21 4.058 4.058 4.280 -0.222 18612 11566 1 17 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.306 0.703 18612 11567 1 17 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.388 0.207 18612 11568 1 17 . 1 1 21 21 LYS H H 21 8.123 8.123 8.362 -0.239 18612 11569 1 17 . 1 1 22 22 GLN N N 22 121.183 121.183 118.466 2.717 18612 11570 1 17 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.189 -0.102 18612 11571 1 17 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.593 0.167 18612 11572 1 17 . 1 1 22 22 GLN CB C 22 28.600 28.600 28.932 -0.332 18612 11573 1 17 . 1 1 22 22 GLN H H 22 8.234 8.234 7.859 0.375 18612 11574 1 17 . 1 1 23 23 GLN N N 23 116.219 116.219 117.265 -1.046 18612 11575 1 17 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.279 -0.016 18612 11576 1 17 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.408 -1.730 18612 11577 1 17 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.510 -0.240 18612 11578 1 17 . 1 1 23 23 GLN H H 23 7.820 7.820 7.688 0.132 18612 11579 1 17 . 1 1 24 24 LYS N N 24 117.349 117.349 117.152 0.197 18612 11580 1 17 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.430 -0.518 18612 11581 1 17 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.288 1.742 18612 11582 1 17 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.048 -4.199 18612 11583 1 17 . 1 1 24 24 LYS H H 24 7.884 7.884 7.761 0.123 18612 11584 1 17 . 1 1 25 25 ALA N N 25 119.909 119.909 122.640 -2.731 18612 11585 1 17 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.056 0.223 18612 11586 1 17 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.900 -1.880 18612 11587 1 17 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.590 3.730 18612 11588 1 17 . 1 1 25 25 ALA H H 25 7.620 7.620 7.560 0.060 18612 11589 1 17 . 1 1 26 26 SER N N 26 113.188 113.188 113.541 -0.353 18612 11590 1 17 . 1 1 26 26 SER HA H 26 4.244 4.244 4.225 0.019 18612 11591 1 17 . 1 1 26 26 SER CA C 26 58.390 58.390 58.301 0.089 18612 11592 1 17 . 1 1 26 26 SER CB C 26 63.830 63.830 62.044 1.786 18612 11593 1 17 . 1 1 26 26 SER H H 26 8.228 8.228 8.412 -0.184 18612 11594 1 17 . 1 1 27 27 ALA N N 27 127.550 127.550 121.774 5.776 18612 11595 1 17 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.896 0.088 18612 11596 1 17 . 1 1 27 27 ALA CA C 27 55.582 55.582 55.366 0.216 18612 11597 1 17 . 1 1 27 27 ALA CB C 27 18.770 18.770 18.913 -0.143 18612 11598 1 17 . 1 1 27 27 ALA H H 27 8.769 8.769 8.110 0.659 18612 11599 1 17 . 1 1 28 28 GLU N N 28 117.317 117.317 117.789 -0.472 18612 11600 1 17 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.131 -0.057 18612 11601 1 17 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.237 0.463 18612 11602 1 17 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.484 -0.404 18612 11603 1 17 . 1 1 28 28 GLU H H 28 8.830 8.830 8.205 0.625 18612 11604 1 17 . 1 1 29 29 LEU N N 29 122.971 122.971 120.613 2.358 18612 11605 1 17 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.161 0.150 18612 11606 1 17 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.858 -0.288 18612 11607 1 17 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.658 -0.053 18612 11608 1 17 . 1 1 29 29 LEU H H 29 7.401 7.401 8.004 -0.603 18612 11609 1 17 . 1 1 30 30 ILE N N 30 118.784 118.784 119.481 -0.697 18612 11610 1 17 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.658 -0.261 18612 11611 1 17 . 1 1 30 30 ILE CA C 30 66.310 66.310 64.029 2.281 18612 11612 1 17 . 1 1 30 30 ILE CB C 30 37.823 37.823 36.604 1.219 18612 11613 1 17 . 1 1 30 30 ILE H H 30 8.019 8.019 9.025 -1.006 18612 11614 1 17 . 1 1 31 31 GLU N N 31 118.215 118.215 120.347 -2.132 18612 11615 1 17 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.060 -0.092 18612 11616 1 17 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.592 0.248 18612 11617 1 17 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.400 0.040 18612 11618 1 17 . 1 1 31 31 GLU H H 31 8.367 8.367 8.169 0.198 18612 11619 1 17 . 1 1 32 32 GLU N N 32 120.284 120.284 119.327 0.957 18612 11620 1 17 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.077 0.077 18612 11621 1 17 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.441 -0.061 18612 11622 1 17 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.753 0.087 18612 11623 1 17 . 1 1 32 32 GLU H H 32 7.667 7.667 7.879 -0.212 18612 11624 1 17 . 1 1 33 33 GLU N N 33 120.010 120.010 119.241 0.769 18612 11625 1 17 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.144 0.074 18612 11626 1 17 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.555 -1.175 18612 11627 1 17 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.846 -1.667 18612 11628 1 17 . 1 1 33 33 GLU H H 33 8.156 8.156 8.530 -0.374 18612 11629 1 17 . 1 1 34 34 VAL N N 34 125.322 125.322 116.812 8.510 18612 11630 1 17 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.789 -0.147 18612 11631 1 17 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.202 0.648 18612 11632 1 17 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.849 0.991 18612 11633 1 17 . 1 1 34 34 VAL H H 34 9.243 9.243 8.290 0.953 18612 11634 1 17 . 1 1 35 35 ALA N N 35 123.214 123.214 123.155 0.059 18612 11635 1 17 . 1 1 35 35 ALA HA H 35 4.098 4.098 4.050 0.048 18612 11636 1 17 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.372 0.370 18612 11637 1 17 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.591 -1.341 18612 11638 1 17 . 1 1 35 35 ALA H H 35 8.160 8.160 7.923 0.237 18612 11639 1 17 . 1 1 36 36 LYS N N 36 117.979 117.979 118.161 -0.182 18612 11640 1 17 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.082 -0.087 18612 11641 1 17 . 1 1 36 36 LYS CA C 36 59.800 59.800 58.817 0.983 18612 11642 1 17 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.346 0.516 18612 11643 1 17 . 1 1 36 36 LYS H H 36 7.607 7.607 7.781 -0.174 18612 11644 1 17 . 1 1 37 37 LEU N N 37 120.957 120.957 122.314 -1.357 18612 11645 1 17 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.188 -0.185 18612 11646 1 17 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.223 1.287 18612 11647 1 17 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.620 0.410 18612 11648 1 17 . 1 1 37 37 LEU H H 37 7.762 7.762 8.151 -0.389 18612 11649 1 17 . 1 1 38 38 LEU N N 38 118.910 118.910 120.443 -1.533 18612 11650 1 17 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.923 0.053 18612 11651 1 17 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.251 0.019 18612 11652 1 17 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.142 -0.185 18612 11653 1 17 . 1 1 38 38 LEU H H 38 8.636 8.636 7.919 0.717 18612 11654 1 17 . 1 1 39 39 LYS N N 39 120.804 120.804 118.745 2.059 18612 11655 1 17 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.943 0.137 18612 11656 1 17 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.307 0.144 18612 11657 1 17 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.040 0.618 18612 11658 1 17 . 1 1 39 39 LYS H H 39 7.864 7.864 7.649 0.215 18612 11659 1 17 . 1 1 40 40 LEU N N 40 120.940 120.940 120.546 0.394 18612 11660 1 17 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.950 0.160 18612 11661 1 17 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.102 -0.163 18612 11662 1 17 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.681 1.405 18612 11663 1 17 . 1 1 40 40 LEU H H 40 7.831 7.831 7.829 0.002 18612 11664 1 17 . 1 1 41 41 LYS N N 41 117.563 117.563 118.679 -1.116 18612 11665 1 17 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.871 -0.021 18612 11666 1 17 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.946 0.134 18612 11667 1 17 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.991 0.512 18612 11668 1 17 . 1 1 41 41 LYS H H 41 8.493 8.493 7.821 0.672 18612 11669 1 17 . 1 1 42 42 ALA N N 42 121.396 121.396 120.766 0.630 18612 11670 1 17 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.063 0.126 18612 11671 1 17 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.646 -0.366 18612 11672 1 17 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.188 -0.288 18612 11673 1 17 . 1 1 42 42 ALA H H 42 7.918 7.918 7.674 0.244 18612 11674 1 17 . 1 1 43 43 GLN N N 43 116.883 116.883 118.093 -1.210 18612 11675 1 17 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.049 0.087 18612 11676 1 17 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.572 -1.162 18612 11677 1 17 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.663 0.917 18612 11678 1 17 . 1 1 43 43 GLN H H 43 7.591 7.591 7.473 0.118 18612 11679 1 17 . 1 1 44 44 LEU N N 44 119.828 119.828 118.199 1.629 18612 11680 1 17 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.026 0.182 18612 11681 1 17 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.765 -0.688 18612 11682 1 17 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.675 -0.248 18612 11683 1 17 . 1 1 44 44 LEU H H 44 7.574 7.574 7.719 -0.145 18612 11684 1 17 . 1 1 45 45 GLY N N 45 106.906 106.906 103.406 3.500 18612 11685 1 17 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.452 0.072 18612 11686 1 17 . 1 1 45 45 GLY H H 45 7.687 7.687 7.638 0.049 18612 11687 1 17 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.236 0.211 18612 11688 1 17 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.743 0.367 18612 11689 1 17 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.145 0.284 18612 11690 1 17 . 1 1 47 47 ASP N N 47 121.060 121.060 122.813 -1.753 18612 11691 1 17 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.330 0.248 18612 11692 1 17 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.828 -0.346 18612 11693 1 17 . 1 1 47 47 ASP CB C 47 41.003 41.003 41.706 -0.703 18612 11694 1 17 . 1 1 47 47 ASP H H 47 8.446 8.446 8.341 0.105 18612 11695 1 17 . 1 1 48 48 GLU N N 48 123.347 123.347 123.408 -0.061 18612 11696 1 17 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.271 -0.027 18612 11697 1 17 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.214 -0.284 18612 11698 1 17 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.236 0.311 18612 11699 1 17 . 1 1 48 48 GLU H H 48 8.577 8.577 8.734 -0.157 18612 11700 1 17 . 1 1 49 49 SER N N 49 116.751 116.751 114.900 1.851 18612 11701 1 17 . 1 1 49 49 SER HA H 49 4.349 4.349 4.322 0.027 18612 11702 1 17 . 1 1 49 49 SER CA C 49 59.380 59.380 60.748 -1.368 18612 11703 1 17 . 1 1 49 49 SER CB C 49 63.460 63.460 63.656 -0.196 18612 11704 1 17 . 1 1 49 49 SER H H 49 8.399 8.399 7.959 0.440 18612 11705 1 17 . 1 1 50 50 LYS N N 50 121.935 121.935 122.444 -0.509 18612 11706 1 17 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.324 0.117 18612 11707 1 17 . 1 1 50 50 LYS CA C 50 56.520 56.520 56.798 -0.278 18612 11708 1 17 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.331 -1.876 18612 11709 1 17 . 1 1 50 50 LYS H H 50 8.058 8.058 8.000 0.058 18612 11710 1 17 . 1 1 51 51 GLN N N 51 122.155 122.155 121.575 0.580 18612 11711 1 17 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.438 -0.235 18612 11712 1 17 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.511 0.698 18612 11713 1 17 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.953 0.835 18612 11714 1 17 . 1 1 51 51 GLN H H 51 8.273 8.273 8.313 -0.040 18612 11715 1 17 . 1 1 52 52 LYS N N 52 122.761 122.761 120.998 1.763 18612 11716 1 17 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.224 0.091 18612 11717 1 17 . 1 1 52 52 LYS CA C 52 56.480 56.480 57.711 -1.231 18612 11718 1 17 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.581 0.341 18612 11719 1 17 . 1 1 52 52 LYS H H 52 8.251 8.251 8.610 -0.359 18612 11720 1 17 . 1 1 53 53 PHE N N 53 121.326 121.326 119.562 1.764 18612 11721 1 17 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.670 -0.026 18612 11722 1 17 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.169 0.471 18612 11723 1 17 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.341 1.247 18612 11724 1 17 . 1 1 53 53 PHE H H 53 8.153 8.153 8.011 0.142 18612 11725 1 17 . 1 1 54 54 VAL N N 54 122.941 122.941 119.037 3.904 18612 11726 1 17 . 1 1 54 54 VAL HA H 54 4.043 4.043 3.927 0.116 18612 11727 1 17 . 1 1 54 54 VAL CA C 54 61.980 61.980 64.230 -2.250 18612 11728 1 17 . 1 1 54 54 VAL CB C 54 33.181 33.181 31.832 1.349 18612 11729 1 17 . 1 1 54 54 VAL H H 54 7.960 7.960 8.161 -0.201 18612 11730 1 17 . 1 1 55 55 LEU N N 55 126.751 126.751 117.931 8.820 18612 11731 1 17 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.647 -0.334 18612 11732 1 17 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.015 1.045 18612 11733 1 17 . 1 1 55 55 LEU CB C 55 42.315 42.315 44.776 -2.461 18612 11734 1 17 . 1 1 55 55 LEU H H 55 8.226 8.226 7.480 0.746 18612 11735 1 17 . 1 1 56 56 LYS N N 56 123.614 123.614 119.907 3.707 18612 11736 1 17 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.184 0.188 18612 11737 1 17 . 1 1 56 56 LYS CA C 56 55.912 55.912 57.355 -1.443 18612 11738 1 17 . 1 1 56 56 LYS CB C 56 33.191 33.191 31.508 1.683 18612 11739 1 17 . 1 1 56 56 LYS H H 56 8.320 8.320 8.340 -0.020 18612 11740 1 17 . 1 1 57 57 THR N N 57 115.794 115.794 117.906 -2.112 18612 11741 1 17 . 1 1 57 57 THR HA H 57 4.349 4.349 4.594 -0.245 18612 11742 1 17 . 1 1 57 57 THR CA C 57 58.960 58.960 60.252 -1.292 18612 11743 1 17 . 1 1 57 57 THR CB C 57 70.740 70.740 69.749 0.991 18612 11744 1 17 . 1 1 57 57 THR H H 57 7.892 7.892 8.111 -0.219 18612 11745 1 17 . 1 1 59 59 LYS N N 59 121.755 121.755 123.764 -2.009 18612 11746 1 17 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.497 -0.270 18612 11747 1 17 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.946 0.574 18612 11748 1 17 . 1 1 59 59 LYS CB C 59 33.094 33.094 34.206 -1.112 18612 11749 1 17 . 1 1 59 59 LYS H H 59 8.300 8.300 8.480 -0.180 18612 11750 1 17 . 1 1 60 60 ALA N N 60 125.263 125.263 126.650 -1.387 18612 11751 1 17 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.339 -0.061 18612 11752 1 17 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.388 0.476 18612 11753 1 17 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.654 -0.674 18612 11754 1 17 . 1 1 60 60 ALA H H 60 8.290 8.290 8.631 -0.341 18612 11755 1 17 . 1 1 61 61 LEU N N 61 121.255 121.255 118.088 3.167 18612 11756 1 17 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.268 0.012 18612 11757 1 17 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.167 0.418 18612 11758 1 17 . 1 1 61 61 LEU CB C 61 42.245 42.245 41.622 0.623 18612 11759 1 17 . 1 1 61 61 LEU H H 61 8.144 8.144 7.887 0.257 18612 11760 1 17 . 1 1 62 62 GLU N N 62 121.401 121.401 123.530 -2.129 18612 11761 1 17 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.310 -0.034 18612 11762 1 17 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.277 0.653 18612 11763 1 17 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.495 -0.260 18612 11764 1 17 . 1 1 62 62 GLU H H 62 8.266 8.266 8.767 -0.501 18612 11765 1 17 . 1 1 64 64 LYS N N 64 120.575 120.575 120.207 0.368 18612 11766 1 17 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.435 -0.191 18612 11767 1 17 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.838 0.247 18612 11768 1 17 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.278 -3.808 18612 11769 1 17 . 1 1 64 64 LYS H H 64 8.106 8.106 8.306 -0.200 18612 11770 1 17 . 1 1 65 65 ILE N N 65 122.492 122.492 120.650 1.842 18612 11771 1 17 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.355 -0.215 18612 11772 1 17 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.867 0.313 18612 11773 1 17 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.469 -0.919 18612 11774 1 17 . 1 1 65 65 ILE H H 65 8.135 8.135 8.341 -0.206 18612 11775 1 17 . 1 1 66 66 ARG N N 66 125.714 125.714 124.265 1.449 18612 11776 1 17 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.673 -0.205 18612 11777 1 17 . 1 1 66 66 ARG CA C 66 56.067 56.067 54.455 1.612 18612 11778 1 17 . 1 1 66 66 ARG CB C 66 31.026 31.026 32.162 -1.136 18612 11779 1 17 . 1 1 66 66 ARG H H 66 8.402 8.402 8.237 0.165 18612 11780 1 17 . 1 1 67 67 THR N N 67 115.622 115.622 112.294 3.328 18612 11781 1 17 . 1 1 67 67 THR HA H 67 4.445 4.445 4.080 0.365 18612 11782 1 17 . 1 1 67 67 THR CA C 67 61.650 61.650 62.905 -1.255 18612 11783 1 17 . 1 1 67 67 THR CB C 67 69.620 69.620 68.691 0.929 18612 11784 1 17 . 1 1 67 67 THR H H 67 8.281 8.281 8.606 -0.325 18612 11785 1 17 . 1 1 68 68 THR N N 68 116.774 116.774 111.400 5.374 18612 11786 1 17 . 1 1 68 68 THR HA H 68 4.503 4.503 4.291 0.212 18612 11787 1 17 . 1 1 68 68 THR CA C 68 61.050 61.050 62.486 -1.436 18612 11788 1 17 . 1 1 68 68 THR CB C 68 69.210 69.210 68.775 0.435 18612 11789 1 17 . 1 1 68 68 THR H H 68 8.076 8.076 8.169 -0.093 18612 11790 1 17 . 1 1 69 69 GLU N N 69 124.048 124.048 121.241 2.807 18612 11791 1 17 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.487 -0.111 18612 11792 1 17 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.414 -0.014 18612 11793 1 17 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.804 -0.186 18612 11794 1 17 . 1 1 69 69 GLU H H 69 8.515 8.515 8.474 0.041 18612 11795 1 17 . 1 1 70 70 THR N N 70 118.988 118.988 111.665 7.323 18612 11796 1 17 . 1 1 70 70 THR HA H 70 3.741 3.741 4.583 -0.842 18612 11797 1 17 . 1 1 70 70 THR CA C 70 64.680 64.680 61.970 2.710 18612 11798 1 17 . 1 1 70 70 THR CB C 70 68.770 68.770 70.324 -1.554 18612 11799 1 17 . 1 1 70 70 THR H H 70 8.259 8.259 7.331 0.928 18612 11800 1 17 . 1 1 71 71 GLN N N 71 125.858 125.858 128.046 -2.188 18612 11801 1 17 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.634 -0.340 18612 11802 1 17 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.056 0.344 18612 11803 1 17 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.893 1.178 18612 11804 1 17 . 1 1 71 71 GLN H H 71 8.795 8.795 9.072 -0.277 18612 11805 1 17 . 1 1 72 72 VAL N N 72 113.505 113.505 110.310 3.195 18612 11806 1 17 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.189 -0.291 18612 11807 1 17 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.709 -0.089 18612 11808 1 17 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.145 0.259 18612 11809 1 17 . 1 1 72 72 VAL H H 72 7.325 7.325 7.668 -0.343 18612 11810 1 17 . 1 1 73 73 LEU N N 73 128.725 128.725 119.564 9.161 18612 11811 1 17 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.712 0.380 18612 11812 1 17 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.494 -0.754 18612 11813 1 17 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.467 -0.386 18612 11814 1 17 . 1 1 73 73 LEU H H 73 8.170 8.170 7.940 0.230 18612 11815 1 17 . 1 1 74 74 VAL N N 74 127.634 127.634 122.698 4.936 18612 11816 1 17 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.540 0.226 18612 11817 1 17 . 1 1 74 74 VAL CA C 74 62.090 62.090 61.478 0.612 18612 11818 1 17 . 1 1 74 74 VAL CB C 74 31.690 31.690 30.639 1.051 18612 11819 1 17 . 1 1 74 74 VAL H H 74 8.913 8.913 8.968 -0.055 18612 11820 1 17 . 1 1 75 75 ALA N N 75 132.602 132.602 131.135 1.467 18612 11821 1 17 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.800 0.007 18612 11822 1 17 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.772 0.128 18612 11823 1 17 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.961 0.959 18612 11824 1 17 . 1 1 75 75 ALA H H 75 9.421 9.421 8.918 0.503 18612 11825 1 17 . 1 1 76 76 SER N N 76 111.274 111.274 115.194 -3.920 18612 11826 1 17 . 1 1 76 76 SER HA H 76 4.951 4.951 4.667 0.284 18612 11827 1 17 . 1 1 76 76 SER CA C 76 56.940 56.940 57.245 -0.305 18612 11828 1 17 . 1 1 76 76 SER CB C 76 65.960 65.960 66.017 -0.057 18612 11829 1 17 . 1 1 76 76 SER H H 76 8.106 8.106 8.452 -0.346 18612 11830 1 17 . 1 1 77 77 ALA N N 77 125.393 125.393 127.861 -2.468 18612 11831 1 17 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.484 -0.023 18612 11832 1 17 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.620 1.133 18612 11833 1 17 . 1 1 77 77 ALA CB C 77 19.740 19.740 18.006 1.734 18612 11834 1 17 . 1 1 77 77 ALA H H 77 9.004 9.004 8.568 0.436 18612 11835 1 17 . 1 1 78 78 GLN N N 78 116.290 116.290 119.333 -3.043 18612 11836 1 17 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.559 -0.116 18612 11837 1 17 . 1 1 78 78 GLN CA C 78 56.630 56.630 54.446 2.184 18612 11838 1 17 . 1 1 78 78 GLN CB C 78 30.553 30.553 31.575 -1.022 18612 11839 1 17 . 1 1 78 78 GLN H H 78 7.985 7.985 7.392 0.593 18612 11840 1 17 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.679 -0.116 18612 11841 1 17 . 1 1 81 81 LEU CA C 81 47.000 47.000 55.353 -8.353 18612 11842 1 17 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.637 -1.616 18612 11843 1 17 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.380 0.418 18612 11844 1 17 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.054 -0.148 18612 11845 1 17 . 1 1 85 85 ARG N N 85 119.948 119.948 119.946 0.002 18612 11846 1 17 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.031 -0.160 18612 11847 1 17 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.258 1.423 18612 11848 1 17 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.451 2.470 18612 11849 1 17 . 1 1 85 85 ARG H H 85 8.229 8.229 8.301 -0.072 18612 11850 1 17 . 1 1 86 86 LEU N N 86 120.227 120.227 120.220 0.007 18612 11851 1 17 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.008 -0.182 18612 11852 1 17 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.367 -0.177 18612 11853 1 17 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.889 -0.301 18612 11854 1 17 . 1 1 86 86 LEU H H 86 8.459 8.459 7.920 0.539 18612 11855 1 17 . 1 1 87 87 LYS N N 87 120.470 120.470 119.176 1.294 18612 11856 1 17 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.912 0.109 18612 11857 1 17 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.669 -0.289 18612 11858 1 17 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.214 0.684 18612 11859 1 17 . 1 1 87 87 LYS H H 87 7.945 7.945 7.737 0.208 18612 11860 1 17 . 1 1 88 88 LEU N N 88 119.799 119.799 120.493 -0.694 18612 11861 1 17 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.047 0.160 18612 11862 1 17 . 1 1 88 88 LEU CA C 88 57.680 57.680 57.969 -0.289 18612 11863 1 17 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.228 -0.003 18612 11864 1 17 . 1 1 88 88 LEU H H 88 7.547 7.547 8.360 -0.813 18612 11865 1 17 . 1 1 89 89 VAL N N 89 118.828 118.828 118.669 0.159 18612 11866 1 17 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.580 -0.262 18612 11867 1 17 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.816 0.934 18612 11868 1 17 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.025 0.353 18612 11869 1 17 . 1 1 89 89 VAL H H 89 8.347 8.347 8.438 -0.091 18612 11870 1 17 . 1 1 90 90 SER N N 90 114.835 114.835 116.163 -1.328 18612 11871 1 17 . 1 1 90 90 SER HA H 90 4.207 4.207 4.134 0.073 18612 11872 1 17 . 1 1 90 90 SER CA C 90 62.000 62.000 62.033 -0.034 18612 11873 1 17 . 1 1 90 90 SER CB C 90 62.770 62.770 62.989 -0.219 18612 11874 1 17 . 1 1 90 90 SER H H 90 7.942 7.942 8.462 -0.520 18612 11875 1 17 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.119 -0.076 18612 11876 1 17 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.545 -0.105 18612 11877 1 17 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.773 0.461 18612 11878 1 17 . 1 1 92 92 LEU N N 92 119.720 119.720 120.487 -0.767 18612 11879 1 17 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.039 -0.091 18612 11880 1 17 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.954 0.166 18612 11881 1 17 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.969 -1.393 18612 11882 1 17 . 1 1 92 92 LEU H H 92 8.379 8.379 8.440 -0.061 18612 11883 1 17 . 1 1 93 93 GLN N N 93 120.938 120.938 119.454 1.484 18612 11884 1 17 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.678 -0.125 18612 11885 1 17 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.259 0.791 18612 11886 1 17 . 1 1 93 93 GLN CB C 93 27.980 27.980 29.197 -1.217 18612 11887 1 17 . 1 1 93 93 GLN H H 93 8.751 8.751 8.106 0.645 18612 11888 1 17 . 1 1 94 94 ASP N N 94 122.442 122.442 119.287 3.155 18612 11889 1 17 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.596 -0.137 18612 11890 1 17 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.356 0.744 18612 11891 1 17 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.458 -1.197 18612 11892 1 17 . 1 1 94 94 ASP H H 94 8.470 8.470 8.222 0.248 18612 11893 1 17 . 1 1 95 95 ALA N N 95 120.437 120.437 119.758 0.679 18612 11894 1 17 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.470 0.042 18612 11895 1 17 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.544 -1.798 18612 11896 1 17 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.516 0.504 18612 11897 1 17 . 1 1 95 95 ALA H H 95 7.340 7.340 7.967 -0.627 18612 11898 1 17 . 1 1 96 96 GLY N N 96 106.865 106.865 105.401 1.464 18612 11899 1 17 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.903 0.387 18612 11900 1 17 . 1 1 96 96 GLY H H 96 7.987 7.987 7.785 0.202 18612 11901 1 17 . 1 1 97 97 ILE N N 97 122.489 122.489 116.720 5.769 18612 11902 1 17 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.432 -0.178 18612 11903 1 17 . 1 1 97 97 ILE CA C 97 58.650 58.650 59.027 -0.377 18612 11904 1 17 . 1 1 97 97 ILE CB C 97 37.973 37.973 41.271 -3.298 18612 11905 1 17 . 1 1 97 97 ILE H H 97 8.062 8.062 8.410 -0.348 18612 11906 1 17 . 1 1 98 98 LYS N N 98 127.459 127.459 124.323 3.136 18612 11907 1 17 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.183 0.324 18612 11908 1 17 . 1 1 98 98 LYS CA C 98 55.921 55.921 57.841 -1.920 18612 11909 1 17 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.655 -1.221 18612 11910 1 17 . 1 1 98 98 LYS H H 98 8.574 8.574 8.741 -0.167 18612 11911 1 17 . 1 1 99 99 ALA N N 99 130.423 130.423 127.440 2.983 18612 11912 1 17 . 1 1 99 99 ALA HA H 99 5.764 5.764 5.290 0.474 18612 11913 1 17 . 1 1 99 99 ALA CA C 99 49.211 49.211 50.059 -0.848 18612 11914 1 17 . 1 1 99 99 ALA CB C 99 24.870 24.870 21.813 3.057 18612 11915 1 17 . 1 1 99 99 ALA H H 99 7.813 7.813 8.356 -0.543 18612 11916 1 17 . 1 1 100 100 GLU N N 100 118.988 118.988 123.197 -4.209 18612 11917 1 17 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.622 0.213 18612 11918 1 17 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.159 -0.453 18612 11919 1 17 . 1 1 100 100 GLU CB C 100 35.921 35.921 32.522 3.399 18612 11920 1 17 . 1 1 100 100 GLU H H 100 8.226 8.226 8.496 -0.270 18612 11921 1 17 . 1 1 101 101 LEU N N 101 120.024 120.024 121.171 -1.147 18612 11922 1 17 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.852 -0.138 18612 11923 1 17 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.460 0.300 18612 11924 1 17 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.543 0.541 18612 11925 1 17 . 1 1 101 101 LEU H H 101 8.478 8.478 8.672 -0.194 18612 11926 1 17 . 1 1 102 102 LEU N N 102 118.623 118.623 124.234 -5.611 18612 11927 1 17 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.130 -0.096 18612 11928 1 17 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.356 4.104 18612 11929 1 17 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.366 -2.141 18612 11930 1 17 . 1 1 102 102 LEU H H 102 8.763 8.763 7.943 0.820 18612 11931 1 17 . 1 1 103 103 TYR N N 103 115.970 115.970 112.790 3.180 18612 11932 1 17 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.114 0.468 18612 11933 1 17 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.854 -1.881 18612 11934 1 17 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.157 3.575 18612 11935 1 17 . 1 1 103 103 TYR H H 103 7.378 7.378 8.209 -0.831 18612 11936 1 17 . 1 1 104 104 LYS N N 104 120.577 120.577 121.582 -1.005 18612 11937 1 17 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.091 0.048 18612 11938 1 17 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.914 -0.434 18612 11939 1 17 . 1 1 104 104 LYS CB C 104 32.922 32.922 32.014 0.908 18612 11940 1 17 . 1 1 104 104 LYS H H 104 7.906 7.906 7.697 0.209 18612 11941 1 17 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.925 0.104 18612 11942 1 17 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.270 -0.271 18612 11943 1 17 . 1 1 113 113 LEU N N 113 120.147 120.147 121.385 -1.238 18612 11944 1 17 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.124 -0.141 18612 11945 1 17 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.481 -0.061 18612 11946 1 17 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.313 -0.720 18612 11947 1 17 . 1 1 113 113 LEU H H 113 8.365 8.365 9.023 -0.658 18612 11948 1 17 . 1 1 114 114 GLN N N 114 119.995 119.995 117.862 2.133 18612 11949 1 17 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.020 0.017 18612 11950 1 17 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.085 -0.115 18612 11951 1 17 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.682 -0.492 18612 11952 1 17 . 1 1 114 114 GLN H H 114 8.126 8.126 8.053 0.073 18612 11953 1 17 . 1 1 115 115 TYR N N 115 120.358 120.358 121.576 -1.218 18612 11954 1 17 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.321 -0.026 18612 11955 1 17 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.234 0.796 18612 11956 1 17 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.125 -0.356 18612 11957 1 17 . 1 1 115 115 TYR H H 115 7.819 7.819 7.947 -0.128 18612 11958 1 17 . 1 1 116 116 CYS N N 116 116.264 116.264 118.778 -2.514 18612 11959 1 17 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.680 0.136 18612 11960 1 17 . 1 1 116 116 CYS CA C 116 64.230 64.230 63.108 1.122 18612 11961 1 17 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.922 -0.602 18612 11962 1 17 . 1 1 116 116 CYS H H 116 7.710 7.710 8.262 -0.552 18612 11963 1 17 . 1 1 117 117 GLU N N 117 119.526 119.526 118.951 0.575 18612 11964 1 17 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.075 -0.227 18612 11965 1 17 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.338 -0.188 18612 11966 1 17 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.602 0.098 18612 11967 1 17 . 1 1 117 117 GLU H H 117 7.912 7.912 7.939 -0.027 18612 11968 1 17 . 1 1 118 118 GLU N N 118 119.875 119.875 118.295 1.580 18612 11969 1 17 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.231 -0.262 18612 11970 1 17 . 1 1 118 118 GLU CA C 118 58.780 58.780 57.910 0.870 18612 11971 1 17 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.927 -0.117 18612 11972 1 17 . 1 1 118 118 GLU H H 118 7.988 7.988 8.153 -0.165 18612 11973 1 17 . 1 1 119 119 ALA N N 119 119.118 119.118 120.325 -1.207 18612 11974 1 17 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.256 -0.090 18612 11975 1 17 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.597 -0.944 18612 11976 1 17 . 1 1 119 119 ALA CB C 119 19.080 19.080 20.016 -0.936 18612 11977 1 17 . 1 1 119 119 ALA H H 119 8.137 8.137 7.797 0.340 18612 11978 1 17 . 1 1 120 120 GLY N N 120 106.604 106.604 104.462 2.142 18612 11979 1 17 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.070 2.307 18612 11980 1 17 . 1 1 120 120 GLY H H 120 7.550 7.550 7.493 0.057 18612 11981 1 17 . 1 1 121 121 ILE N N 121 124.026 124.026 110.850 13.176 18612 11982 1 17 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.448 -0.437 18612 11983 1 17 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.123 0.927 18612 11984 1 17 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.628 3.423 18612 11985 1 17 . 1 1 121 121 ILE H H 121 7.918 7.918 8.253 -0.335 18612 11986 1 17 . 1 1 123 123 LEU N N 123 119.541 119.541 114.785 4.756 18612 11987 1 17 . 1 1 123 123 LEU HA H 123 5.503 5.503 5.172 0.331 18612 11988 1 17 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.337 0.349 18612 11989 1 17 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.609 0.448 18612 11990 1 17 . 1 1 123 123 LEU H H 123 6.973 6.973 7.680 -0.707 18612 11991 1 17 . 1 1 124 124 VAL N N 124 119.580 119.580 118.394 1.186 18612 11992 1 17 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.686 0.350 18612 11993 1 17 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.561 -0.981 18612 11994 1 17 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.581 -1.325 18612 11995 1 17 . 1 1 124 124 VAL H H 124 8.823 8.823 8.359 0.464 18612 11996 1 17 . 1 1 125 125 ALA N N 125 130.810 130.810 125.240 5.570 18612 11997 1 17 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.201 -0.045 18612 11998 1 17 . 1 1 125 125 ALA CA C 125 49.195 49.195 49.962 -0.767 18612 11999 1 17 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.478 -2.418 18612 12000 1 17 . 1 1 125 125 ALA H H 125 9.083 9.083 9.067 0.016 18612 12001 1 17 . 1 1 126 126 ILE N N 126 124.925 124.925 123.095 1.830 18612 12002 1 17 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.602 -0.099 18612 12003 1 17 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.173 1.787 18612 12004 1 17 . 1 1 126 126 ILE CB C 126 39.805 39.805 35.813 3.992 18612 12005 1 17 . 1 1 126 126 ILE H H 126 9.564 9.564 8.817 0.747 18612 12006 1 17 . 1 1 127 127 ILE HA H 127 4.643 4.643 3.927 0.716 18612 12007 1 17 . 1 1 127 127 ILE CA C 127 59.440 59.440 63.709 -4.269 18612 12008 1 17 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.539 2.463 18612 12009 1 17 . 1 1 129 129 GLU N N 129 121.547 121.547 124.573 -3.026 18612 12010 1 17 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.752 0.196 18612 12011 1 17 . 1 1 129 129 GLU CA C 129 60.400 60.400 60.063 0.337 18612 12012 1 17 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.619 0.683 18612 12013 1 17 . 1 1 129 129 GLU H H 129 9.035 9.035 8.853 0.182 18612 12014 1 17 . 1 1 130 130 GLN N N 130 120.221 120.221 117.476 2.745 18612 12015 1 17 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.053 -0.176 18612 12016 1 17 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.273 -0.853 18612 12017 1 17 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.453 -0.053 18612 12018 1 17 . 1 1 130 130 GLN H H 130 8.914 8.914 8.434 0.480 18612 12019 1 17 . 1 1 131 131 GLU N N 131 120.680 120.680 119.902 0.778 18612 12020 1 17 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.083 -0.144 18612 12021 1 17 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.914 2.296 18612 12022 1 17 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.645 -1.475 18612 12023 1 17 . 1 1 131 131 GLU H H 131 8.871 8.871 8.236 0.635 18612 12024 1 17 . 1 1 132 132 LEU N N 132 118.303 118.303 120.969 -2.666 18612 12025 1 17 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.061 0.301 18612 12026 1 17 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.033 -1.917 18612 12027 1 17 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.883 -0.059 18612 12028 1 17 . 1 1 132 132 LEU H H 132 8.152 8.152 8.453 -0.301 18612 12029 1 17 . 1 1 133 133 LYS N N 133 120.924 120.924 118.376 2.548 18612 12030 1 17 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.154 -0.073 18612 12031 1 17 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.763 0.817 18612 12032 1 17 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.661 -0.189 18612 12033 1 17 . 1 1 133 133 LYS H H 133 7.631 7.631 7.708 -0.077 18612 12034 1 17 . 1 1 134 134 ASP N N 134 118.256 118.256 116.540 1.716 18612 12035 1 17 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.625 0.044 18612 12036 1 17 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.455 -0.304 18612 12037 1 17 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.728 -0.347 18612 12038 1 17 . 1 1 134 134 ASP H H 134 7.985 7.985 7.944 0.041 18612 12039 1 17 . 1 1 135 135 GLY N N 135 109.383 109.383 105.917 3.466 18612 12040 1 17 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.279 1.284 18612 12041 1 17 . 1 1 135 135 GLY H H 135 8.019 8.019 8.179 -0.160 18612 12042 1 17 . 1 1 136 136 VAL N N 136 117.112 117.112 117.422 -0.310 18612 12043 1 17 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.076 0.827 18612 12044 1 17 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.072 -1.122 18612 12045 1 17 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.723 2.162 18612 12046 1 17 . 1 1 136 136 VAL H H 136 8.229 8.229 7.689 0.540 18612 12047 1 17 . 1 1 137 137 ILE N N 137 121.971 121.971 119.916 2.055 18612 12048 1 17 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.549 -0.375 18612 12049 1 17 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.230 -1.670 18612 12050 1 17 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.587 1.202 18612 12051 1 17 . 1 1 137 137 ILE H H 137 8.975 8.975 8.046 0.929 18612 12052 1 17 . 1 1 138 138 LYS N N 138 126.613 126.613 122.450 4.163 18612 12053 1 17 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.957 -0.033 18612 12054 1 17 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.886 0.829 18612 12055 1 17 . 1 1 138 138 LYS CB C 138 33.217 33.217 35.925 -2.708 18612 12056 1 17 . 1 1 138 138 LYS H H 138 7.726 7.726 8.253 -0.527 18612 12057 1 17 . 1 1 139 139 LEU N N 139 129.177 129.177 126.810 2.367 18612 12058 1 17 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.846 0.357 18612 12059 1 17 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.557 -0.267 18612 12060 1 17 . 1 1 139 139 LEU CB C 139 44.760 44.760 43.711 1.049 18612 12061 1 17 . 1 1 139 139 LEU H H 139 9.404 9.404 8.398 1.006 18612 12062 1 17 . 1 1 140 140 ARG N N 140 128.243 128.243 127.110 1.133 18612 12063 1 17 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.479 0.783 18612 12064 1 17 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.898 -2.213 18612 12065 1 17 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.479 -2.489 18612 12066 1 17 . 1 1 140 140 ARG H H 140 9.540 9.540 8.920 0.620 18612 12067 1 17 . 1 1 142 142 VAL N N 142 129.670 129.670 122.445 7.225 18612 12068 1 17 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.719 -0.172 18612 12069 1 17 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.270 0.680 18612 12070 1 17 . 1 1 142 142 VAL CB C 142 32.688 32.688 30.648 2.040 18612 12071 1 17 . 1 1 142 142 VAL H H 142 8.336 8.336 7.962 0.374 18612 12072 1 17 . 1 1 143 143 THR N N 143 111.061 111.061 112.479 -1.418 18612 12073 1 17 . 1 1 143 143 THR HA H 143 4.157 4.157 4.148 0.009 18612 12074 1 17 . 1 1 143 143 THR CA C 143 69.400 69.400 64.402 4.998 18612 12075 1 17 . 1 1 143 143 THR CB C 143 70.020 70.020 68.707 1.313 18612 12076 1 17 . 1 1 143 143 THR H H 143 8.248 8.248 7.770 0.478 18612 12077 1 17 . 1 1 144 144 SER N N 144 115.158 115.158 114.983 0.175 18612 12078 1 17 . 1 1 144 144 SER HA H 144 4.514 4.514 4.394 0.120 18612 12079 1 17 . 1 1 144 144 SER CA C 144 58.370 58.370 60.663 -2.293 18612 12080 1 17 . 1 1 144 144 SER CB C 144 64.500 64.500 63.647 0.853 18612 12081 1 17 . 1 1 144 144 SER H H 144 7.812 7.812 8.226 -0.414 18612 12082 1 17 . 1 1 145 145 ARG N N 145 116.527 116.527 119.498 -2.971 18612 12083 1 17 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.426 -0.600 18612 12084 1 17 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.191 2.109 18612 12085 1 17 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.706 -3.506 18612 12086 1 17 . 1 1 145 145 ARG H H 145 7.836 7.836 7.783 0.053 18612 12087 1 17 . 1 1 146 146 GLU N N 146 119.889 119.889 116.861 3.028 18612 12088 1 17 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.343 -0.074 18612 12089 1 17 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.216 -0.286 18612 12090 1 17 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.497 0.141 18612 12091 1 17 . 1 1 146 146 GLU H H 146 7.675 7.675 8.515 -0.840 18612 12092 1 17 . 1 1 147 147 GLU N N 147 124.286 124.286 118.775 5.511 18612 12093 1 17 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.795 0.524 18612 12094 1 17 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.410 -0.475 18612 12095 1 17 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.399 0.341 18612 12096 1 17 . 1 1 147 147 GLU H H 147 8.602 8.602 8.052 0.550 18612 12097 1 17 . 1 1 148 148 VAL N N 148 120.587 120.587 121.329 -0.742 18612 12098 1 17 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.407 0.127 18612 12099 1 17 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.617 0.043 18612 12100 1 17 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.039 -0.349 18612 12101 1 17 . 1 1 148 148 VAL H H 148 8.536 8.536 8.030 0.506 18612 12102 1 17 . 1 1 149 149 ASP N N 149 125.031 125.031 125.775 -0.744 18612 12103 1 17 . 1 1 149 149 ASP HA H 149 5.154 5.154 5.086 0.068 18612 12104 1 17 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.845 0.068 18612 12105 1 17 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.864 -1.083 18612 12106 1 17 . 1 1 149 149 ASP H H 149 8.411 8.411 8.283 0.128 18612 12107 1 17 . 1 1 150 150 VAL N N 150 123.264 123.264 120.513 2.751 18612 12108 1 17 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.685 -0.285 18612 12109 1 17 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.090 0.550 18612 12110 1 17 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.676 -0.651 18612 12111 1 17 . 1 1 150 150 VAL H H 150 9.061 9.061 8.717 0.344 18612 12112 1 17 . 1 1 151 151 ARG N N 151 125.112 125.112 120.939 4.173 18612 12113 1 17 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.551 -0.143 18612 12114 1 17 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.087 2.023 18612 12115 1 17 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.167 -0.277 18612 12116 1 17 . 1 1 151 151 ARG H H 151 9.048 9.048 8.720 0.328 18612 12117 1 17 . 1 1 152 152 ARG N N 152 124.828 124.828 119.319 5.509 18612 12118 1 17 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.778 -0.112 18612 12119 1 17 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.150 -0.120 18612 12120 1 17 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.802 1.208 18612 12121 1 17 . 1 1 152 152 ARG H H 152 8.582 8.582 8.878 -0.296 18612 12122 1 17 . 1 1 153 153 GLU N N 153 116.730 116.730 118.471 -1.741 18612 12123 1 17 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.114 0.086 18612 12124 1 17 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.540 -0.570 18612 12125 1 17 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.516 -0.936 18612 12126 1 17 . 1 1 153 153 GLU H H 153 9.924 9.924 8.524 1.400 18612 12127 1 17 . 1 1 154 154 ASP N N 154 119.318 119.318 119.773 -0.455 18612 12128 1 17 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.441 0.577 18612 12129 1 17 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.882 -2.490 18612 12130 1 17 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.569 1.721 18612 12131 1 17 . 1 1 154 154 ASP H H 154 7.758 7.758 8.639 -0.881 18612 12132 1 17 . 1 1 155 155 LEU N N 155 121.863 121.863 120.114 1.749 18612 12133 1 17 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.150 -0.335 18612 12134 1 17 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.804 1.366 18612 12135 1 17 . 1 1 155 155 LEU CB C 155 42.628 42.628 42.118 0.510 18612 12136 1 17 . 1 1 155 155 LEU H H 155 7.315 7.315 7.637 -0.322 18612 12137 1 17 . 1 1 156 156 VAL N N 156 118.555 118.555 116.491 2.064 18612 12138 1 17 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.733 -0.478 18612 12139 1 17 . 1 1 156 156 VAL CA C 156 67.660 67.660 65.823 1.837 18612 12140 1 17 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.173 0.057 18612 12141 1 17 . 1 1 156 156 VAL H H 156 8.490 8.490 7.615 0.875 18612 12142 1 17 . 1 1 157 157 GLU N N 157 118.568 118.568 120.215 -1.647 18612 12143 1 17 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.963 -0.053 18612 12144 1 17 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.721 -0.301 18612 12145 1 17 . 1 1 157 157 GLU H H 157 8.138 8.138 8.662 -0.524 18612 12146 1 17 . 1 1 158 158 GLU N N 158 118.484 118.484 120.179 -1.695 18612 12147 1 17 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.097 0.043 18612 12148 1 17 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.291 -2.001 18612 12149 1 17 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.373 0.101 18612 12150 1 17 . 1 1 158 158 GLU H H 158 8.138 8.138 7.580 0.558 18612 12151 1 17 . 1 1 159 159 ILE N N 159 119.508 119.508 120.183 -0.675 18612 12152 1 17 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.578 -0.150 18612 12153 1 17 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.853 0.037 18612 12154 1 17 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.838 -7.838 18612 12155 1 17 . 1 1 159 159 ILE H H 159 8.482 8.482 7.759 0.723 18612 12156 1 17 . 1 1 160 160 LYS N N 160 121.513 121.513 118.967 2.546 18612 12157 1 17 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.977 -0.199 18612 12158 1 17 . 1 1 160 160 LYS CA C 160 60.850 60.850 58.645 2.204 18612 12159 1 17 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.034 0.216 18612 12160 1 17 . 1 1 160 160 LYS H H 160 8.424 8.424 7.752 0.672 18612 12161 1 17 . 1 1 161 161 ARG N N 161 118.966 118.966 117.584 1.382 18612 12162 1 17 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.063 0.006 18612 12163 1 17 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.169 1.161 18612 12164 1 17 . 1 1 161 161 ARG CB C 161 30.892 30.892 29.785 1.107 18612 12165 1 17 . 1 1 161 161 ARG H H 161 8.248 8.248 7.705 0.543 18612 12166 1 17 . 1 1 162 162 ARG N N 162 117.033 117.033 118.206 -1.173 18612 12167 1 17 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.195 0.047 18612 12168 1 17 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.220 -0.162 18612 12169 1 17 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.779 1.011 18612 12170 1 17 . 1 1 162 162 ARG H H 162 7.811 7.811 7.890 -0.079 18612 12171 1 17 . 1 1 163 163 THR N N 163 108.588 108.588 110.247 -1.659 18612 12172 1 17 . 1 1 163 163 THR HA H 163 4.549 4.549 4.032 0.517 18612 12173 1 17 . 1 1 163 163 THR CA C 163 61.820 61.820 63.710 -1.890 18612 12174 1 17 . 1 1 163 163 THR CB C 163 70.020 70.020 68.112 1.907 18612 12175 1 17 . 1 1 163 163 THR H H 163 7.831 7.831 8.212 -0.381 18612 12176 1 17 . 1 1 164 164 GLY N N 164 110.640 110.640 108.165 2.475 18612 12177 1 17 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.723 0.990 18612 12178 1 17 . 1 1 164 164 GLY H H 164 7.847 7.847 7.908 -0.061 18612 12179 1 17 . 1 1 165 165 GLN N N 165 120.993 120.993 121.150 -0.157 18612 12180 1 17 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.763 -0.821 18612 12181 1 17 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.358 2.719 18612 12182 1 17 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.704 -0.136 18612 12183 1 17 . 1 1 165 165 GLN H H 165 8.141 8.141 8.554 -0.413 18612 12184 1 17 . 1 1 167 167 LEU N N 167 122.540 122.540 122.525 0.015 18612 12185 1 17 . 1 1 167 167 LEU H H 167 8.370 8.370 8.253 0.117 18612 12186 1 17 . 1 1 168 168 SER N N 168 116.635 116.635 114.733 1.902 18612 12187 1 17 . 1 1 168 168 SER H H 168 8.269 8.269 8.334 -0.065 18612 12188 1 17 . 1 1 169 169 ILE N N 169 122.767 122.767 123.320 -0.553 18612 12189 1 17 . 1 1 169 169 ILE H H 169 8.165 8.165 7.744 0.421 18612 12190 1 18 . 1 1 2 2 GLU N N 2 120.329 120.329 122.506 -2.177 18612 12191 1 18 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.443 -0.301 18612 12192 1 18 . 1 1 2 2 GLU CA C 2 59.070 59.070 57.176 1.894 18612 12193 1 18 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.190 -0.690 18612 12194 1 18 . 1 1 2 2 GLU H H 2 8.498 8.498 8.622 -0.124 18612 12195 1 18 . 1 1 3 3 ARG N N 3 121.547 121.547 120.529 1.018 18612 12196 1 18 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.132 -0.108 18612 12197 1 18 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.911 0.329 18612 12198 1 18 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.003 -0.053 18612 12199 1 18 . 1 1 3 3 ARG H H 3 8.238 8.238 8.486 -0.248 18612 12200 1 18 . 1 1 4 4 ALA N N 4 121.449 121.449 121.744 -0.295 18612 12201 1 18 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.150 0.053 18612 12202 1 18 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.763 0.276 18612 12203 1 18 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.996 -0.086 18612 12204 1 18 . 1 1 4 4 ALA H H 4 8.068 8.068 8.456 -0.388 18612 12205 1 18 . 1 1 5 5 ALA N N 5 121.000 121.000 121.572 -0.572 18612 12206 1 18 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.183 0.035 18612 12207 1 18 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.782 -0.039 18612 12208 1 18 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.226 0.184 18612 12209 1 18 . 1 1 5 5 ALA H H 5 7.831 7.831 8.152 -0.321 18612 12210 1 18 . 1 1 6 6 LEU N N 6 121.402 121.402 117.546 3.856 18612 12211 1 18 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.976 0.185 18612 12212 1 18 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.327 -0.377 18612 12213 1 18 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.334 0.707 18612 12214 1 18 . 1 1 6 6 LEU H H 6 7.919 7.919 7.809 0.110 18612 12215 1 18 . 1 1 7 7 GLU N N 7 119.203 119.203 120.583 -1.380 18612 12216 1 18 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.854 0.004 18612 12217 1 18 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.593 -0.363 18612 12218 1 18 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.770 -0.230 18612 12219 1 18 . 1 1 7 7 GLU H H 7 8.706 8.706 8.606 0.100 18612 12220 1 18 . 1 1 8 8 GLU N N 8 120.194 120.194 118.434 1.760 18612 12221 1 18 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.065 0.130 18612 12222 1 18 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.866 0.304 18612 12223 1 18 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.123 0.337 18612 12224 1 18 . 1 1 8 8 GLU H H 8 7.761 7.761 7.941 -0.180 18612 12225 1 18 . 1 1 9 9 LEU N N 9 120.526 120.526 121.340 -0.814 18612 12226 1 18 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.080 0.084 18612 12227 1 18 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.860 0.260 18612 12228 1 18 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.866 -0.078 18612 12229 1 18 . 1 1 9 9 LEU H H 9 7.913 7.913 7.602 0.311 18612 12230 1 18 . 1 1 10 10 VAL N N 10 120.804 120.804 120.176 0.628 18612 12231 1 18 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.493 -0.036 18612 12232 1 18 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.399 0.631 18612 12233 1 18 . 1 1 10 10 VAL CB C 10 32.047 32.047 30.871 1.176 18612 12234 1 18 . 1 1 10 10 VAL H H 10 8.570 8.570 8.505 0.065 18612 12235 1 18 . 1 1 11 11 LYS N N 11 123.175 123.175 120.170 3.005 18612 12236 1 18 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.972 0.072 18612 12237 1 18 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.928 -0.059 18612 12238 1 18 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.155 0.237 18612 12239 1 18 . 1 1 11 11 LYS H H 11 7.909 7.909 7.608 0.301 18612 12240 1 18 . 1 1 12 12 LEU N N 12 120.772 120.772 118.284 2.488 18612 12241 1 18 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.157 -0.051 18612 12242 1 18 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.139 0.781 18612 12243 1 18 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.675 0.162 18612 12244 1 18 . 1 1 12 12 LEU H H 12 8.436 8.436 7.923 0.513 18612 12245 1 18 . 1 1 13 13 GLN N N 13 121.677 121.677 119.900 1.777 18612 12246 1 18 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.035 0.299 18612 12247 1 18 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.320 -1.920 18612 12248 1 18 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.220 -1.700 18612 12249 1 18 . 1 1 13 13 GLN H H 13 8.710 8.710 8.165 0.545 18612 12250 1 18 . 1 1 14 14 GLY N N 14 109.543 109.543 107.906 1.637 18612 12251 1 18 . 1 1 14 14 GLY CA C 14 47.563 47.563 47.106 0.457 18612 12252 1 18 . 1 1 14 14 GLY H H 14 8.714 8.714 8.684 0.030 18612 12253 1 18 . 1 1 15 15 GLU N N 15 123.144 123.144 121.845 1.299 18612 12254 1 18 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.978 0.170 18612 12255 1 18 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.540 -0.570 18612 12256 1 18 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.574 -0.114 18612 12257 1 18 . 1 1 15 15 GLU H H 15 7.913 7.913 7.914 -0.001 18612 12258 1 18 . 1 1 16 16 ARG N N 16 123.135 123.135 119.918 3.217 18612 12259 1 18 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.037 0.101 18612 12260 1 18 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.463 -0.493 18612 12261 1 18 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.357 -0.957 18612 12262 1 18 . 1 1 16 16 ARG H H 16 8.104 8.104 7.743 0.361 18612 12263 1 18 . 1 1 17 17 VAL N N 17 119.501 119.501 120.249 -0.748 18612 12264 1 18 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.698 -0.285 18612 12265 1 18 . 1 1 17 17 VAL CA C 17 67.450 67.450 67.081 0.369 18612 12266 1 18 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.552 0.506 18612 12267 1 18 . 1 1 17 17 VAL H H 17 8.192 8.192 8.518 -0.326 18612 12268 1 18 . 1 1 18 18 ARG N N 18 119.372 119.372 119.338 0.034 18612 12269 1 18 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.967 -0.033 18612 12270 1 18 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.794 0.266 18612 12271 1 18 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.852 0.420 18612 12272 1 18 . 1 1 18 18 ARG H H 18 7.980 7.980 8.409 -0.429 18612 12273 1 18 . 1 1 19 19 GLY N N 19 107.241 107.241 107.936 -0.695 18612 12274 1 18 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.099 0.263 18612 12275 1 18 . 1 1 19 19 GLY H H 19 8.362 8.362 7.876 0.486 18612 12276 1 18 . 1 1 20 20 LEU N N 20 122.627 122.627 119.772 2.855 18612 12277 1 18 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.332 -0.283 18612 12278 1 18 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.560 0.330 18612 12279 1 18 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.616 0.804 18612 12280 1 18 . 1 1 20 20 LEU H H 20 8.049 8.049 7.833 0.216 18612 12281 1 18 . 1 1 21 21 LYS N N 21 118.255 118.255 120.203 -1.948 18612 12282 1 18 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.804 0.254 18612 12283 1 18 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.844 0.166 18612 12284 1 18 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.132 0.463 18612 12285 1 18 . 1 1 21 21 LYS H H 21 8.123 8.123 8.627 -0.504 18612 12286 1 18 . 1 1 22 22 GLN N N 22 121.183 121.183 116.734 4.449 18612 12287 1 18 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.171 -0.084 18612 12288 1 18 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.234 0.526 18612 12289 1 18 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.112 -0.512 18612 12290 1 18 . 1 1 22 22 GLN H H 22 8.234 8.234 7.590 0.644 18612 12291 1 18 . 1 1 23 23 GLN N N 23 116.219 116.219 117.992 -1.773 18612 12292 1 18 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.256 0.007 18612 12293 1 18 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.373 -1.695 18612 12294 1 18 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.645 -0.375 18612 12295 1 18 . 1 1 23 23 GLN H H 23 7.820 7.820 7.887 -0.067 18612 12296 1 18 . 1 1 24 24 LYS N N 24 117.349 117.349 116.265 1.084 18612 12297 1 18 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.485 -0.573 18612 12298 1 18 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.693 1.337 18612 12299 1 18 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.694 -4.844 18612 12300 1 18 . 1 1 24 24 LYS H H 24 7.884 7.884 8.095 -0.211 18612 12301 1 18 . 1 1 25 25 ALA N N 25 119.909 119.909 121.953 -2.044 18612 12302 1 18 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.045 0.234 18612 12303 1 18 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.335 -1.315 18612 12304 1 18 . 1 1 25 25 ALA CB C 25 21.320 21.320 16.866 4.454 18612 12305 1 18 . 1 1 25 25 ALA H H 25 7.620 7.620 7.870 -0.250 18612 12306 1 18 . 1 1 26 26 SER N N 26 113.188 113.188 114.631 -1.443 18612 12307 1 18 . 1 1 26 26 SER HA H 26 4.244 4.244 4.079 0.165 18612 12308 1 18 . 1 1 26 26 SER CA C 26 58.390 58.390 60.678 -2.288 18612 12309 1 18 . 1 1 26 26 SER CB C 26 63.830 63.830 63.761 0.069 18612 12310 1 18 . 1 1 26 26 SER H H 26 8.228 8.228 8.077 0.151 18612 12311 1 18 . 1 1 27 27 ALA N N 27 127.550 127.550 121.719 5.831 18612 12312 1 18 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.939 0.045 18612 12313 1 18 . 1 1 27 27 ALA CA C 27 55.582 55.582 53.984 1.598 18612 12314 1 18 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.007 1.763 18612 12315 1 18 . 1 1 27 27 ALA H H 27 8.769 8.769 8.071 0.698 18612 12316 1 18 . 1 1 28 28 GLU N N 28 117.317 117.317 119.878 -2.561 18612 12317 1 18 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.159 -0.085 18612 12318 1 18 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.128 0.572 18612 12319 1 18 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.619 -0.539 18612 12320 1 18 . 1 1 28 28 GLU H H 28 8.830 8.830 8.105 0.725 18612 12321 1 18 . 1 1 29 29 LEU N N 29 122.971 122.971 116.953 6.018 18612 12322 1 18 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.337 -0.026 18612 12323 1 18 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.657 -0.087 18612 12324 1 18 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.214 0.391 18612 12325 1 18 . 1 1 29 29 LEU H H 29 7.401 7.401 7.855 -0.454 18612 12326 1 18 . 1 1 30 30 ILE N N 30 118.784 118.784 120.353 -1.569 18612 12327 1 18 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.590 -0.193 18612 12328 1 18 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.402 0.908 18612 12329 1 18 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.465 0.358 18612 12330 1 18 . 1 1 30 30 ILE H H 30 8.019 8.019 7.919 0.100 18612 12331 1 18 . 1 1 31 31 GLU N N 31 118.215 118.215 118.690 -0.475 18612 12332 1 18 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.069 -0.101 18612 12333 1 18 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.423 0.417 18612 12334 1 18 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.159 0.281 18612 12335 1 18 . 1 1 31 31 GLU H H 31 8.367 8.367 8.249 0.118 18612 12336 1 18 . 1 1 32 32 GLU N N 32 120.284 120.284 119.726 0.558 18612 12337 1 18 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.056 0.098 18612 12338 1 18 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.592 -0.212 18612 12339 1 18 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.469 0.371 18612 12340 1 18 . 1 1 32 32 GLU H H 32 7.667 7.667 7.891 -0.224 18612 12341 1 18 . 1 1 33 33 GLU N N 33 120.010 120.010 119.359 0.651 18612 12342 1 18 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.055 0.163 18612 12343 1 18 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.123 -0.743 18612 12344 1 18 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.513 -1.333 18612 12345 1 18 . 1 1 33 33 GLU H H 33 8.156 8.156 8.358 -0.202 18612 12346 1 18 . 1 1 34 34 VAL N N 34 125.322 125.322 120.259 5.063 18612 12347 1 18 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.673 -0.031 18612 12348 1 18 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.258 0.592 18612 12349 1 18 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.307 0.533 18612 12350 1 18 . 1 1 34 34 VAL H H 34 9.243 9.243 7.653 1.590 18612 12351 1 18 . 1 1 35 35 ALA N N 35 123.214 123.214 121.845 1.369 18612 12352 1 18 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.998 0.100 18612 12353 1 18 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.435 0.307 18612 12354 1 18 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.311 -1.061 18612 12355 1 18 . 1 1 35 35 ALA H H 35 8.160 8.160 7.994 0.166 18612 12356 1 18 . 1 1 36 36 LYS N N 36 117.979 117.979 119.422 -1.443 18612 12357 1 18 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.976 0.019 18612 12358 1 18 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.609 0.191 18612 12359 1 18 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.300 0.562 18612 12360 1 18 . 1 1 36 36 LYS H H 36 7.607 7.607 7.954 -0.347 18612 12361 1 18 . 1 1 37 37 LEU N N 37 120.957 120.957 120.631 0.326 18612 12362 1 18 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.041 -0.038 18612 12363 1 18 . 1 1 37 37 LEU CA C 37 58.510 58.510 57.874 0.635 18612 12364 1 18 . 1 1 37 37 LEU CB C 37 42.030 42.030 42.011 0.019 18612 12365 1 18 . 1 1 37 37 LEU H H 37 7.762 7.762 8.224 -0.462 18612 12366 1 18 . 1 1 38 38 LEU N N 38 118.910 118.910 119.987 -1.077 18612 12367 1 18 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.897 0.079 18612 12368 1 18 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.403 -0.133 18612 12369 1 18 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.205 -0.247 18612 12370 1 18 . 1 1 38 38 LEU H H 38 8.636 8.636 7.735 0.901 18612 12371 1 18 . 1 1 39 39 LYS N N 39 120.804 120.804 118.986 1.818 18612 12372 1 18 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.018 0.062 18612 12373 1 18 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.251 0.200 18612 12374 1 18 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.224 0.434 18612 12375 1 18 . 1 1 39 39 LYS H H 39 7.864 7.864 7.751 0.113 18612 12376 1 18 . 1 1 40 40 LEU N N 40 120.940 120.940 121.304 -0.364 18612 12377 1 18 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.285 -0.175 18612 12378 1 18 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.298 -0.358 18612 12379 1 18 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.813 1.273 18612 12380 1 18 . 1 1 40 40 LEU H H 40 7.831 7.831 8.328 -0.497 18612 12381 1 18 . 1 1 41 41 LYS N N 41 117.563 117.563 118.850 -1.287 18612 12382 1 18 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.942 -0.092 18612 12383 1 18 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.518 0.562 18612 12384 1 18 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.868 0.635 18612 12385 1 18 . 1 1 41 41 LYS H H 41 8.493 8.493 8.356 0.137 18612 12386 1 18 . 1 1 42 42 ALA N N 42 121.396 121.396 121.299 0.097 18612 12387 1 18 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.102 0.087 18612 12388 1 18 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.534 -0.254 18612 12389 1 18 . 1 1 42 42 ALA CB C 42 17.900 17.900 17.949 -0.049 18612 12390 1 18 . 1 1 42 42 ALA H H 42 7.918 7.918 7.672 0.246 18612 12391 1 18 . 1 1 43 43 GLN N N 43 116.883 116.883 118.646 -1.763 18612 12392 1 18 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.042 0.094 18612 12393 1 18 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.354 -0.944 18612 12394 1 18 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.809 0.771 18612 12395 1 18 . 1 1 43 43 GLN H H 43 7.591 7.591 7.795 -0.204 18612 12396 1 18 . 1 1 44 44 LEU N N 44 119.828 119.828 117.487 2.341 18612 12397 1 18 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.064 0.144 18612 12398 1 18 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.304 -0.227 18612 12399 1 18 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.314 0.113 18612 12400 1 18 . 1 1 44 44 LEU H H 44 7.574 7.574 7.684 -0.110 18612 12401 1 18 . 1 1 45 45 GLY N N 45 106.906 106.906 106.420 0.486 18612 12402 1 18 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.691 -0.167 18612 12403 1 18 . 1 1 45 45 GLY H H 45 7.687 7.687 7.573 0.114 18612 12404 1 18 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.439 0.008 18612 12405 1 18 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.817 0.293 18612 12406 1 18 . 1 1 46 46 PRO CB C 46 32.430 32.430 30.065 2.365 18612 12407 1 18 . 1 1 47 47 ASP N N 47 121.060 121.060 120.582 0.478 18612 12408 1 18 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.660 -0.082 18612 12409 1 18 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.054 0.428 18612 12410 1 18 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.848 -1.845 18612 12411 1 18 . 1 1 47 47 ASP H H 47 8.446 8.446 7.945 0.501 18612 12412 1 18 . 1 1 48 48 GLU N N 48 123.347 123.347 121.378 1.969 18612 12413 1 18 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.226 0.018 18612 12414 1 18 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.474 -0.544 18612 12415 1 18 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.273 0.275 18612 12416 1 18 . 1 1 48 48 GLU H H 48 8.577 8.577 8.736 -0.159 18612 12417 1 18 . 1 1 49 49 SER N N 49 116.751 116.751 115.607 1.144 18612 12418 1 18 . 1 1 49 49 SER HA H 49 4.349 4.349 4.312 0.037 18612 12419 1 18 . 1 1 49 49 SER CA C 49 59.380 59.380 60.120 -0.740 18612 12420 1 18 . 1 1 49 49 SER CB C 49 63.460 63.460 63.531 -0.071 18612 12421 1 18 . 1 1 49 49 SER H H 49 8.399 8.399 7.876 0.523 18612 12422 1 18 . 1 1 50 50 LYS N N 50 121.935 121.935 121.527 0.408 18612 12423 1 18 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.194 0.247 18612 12424 1 18 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.320 -0.800 18612 12425 1 18 . 1 1 50 50 LYS CB C 50 30.455 30.455 33.079 -2.624 18612 12426 1 18 . 1 1 50 50 LYS H H 50 8.058 8.058 7.780 0.278 18612 12427 1 18 . 1 1 51 51 GLN N N 51 122.155 122.155 120.577 1.578 18612 12428 1 18 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.498 -0.295 18612 12429 1 18 . 1 1 51 51 GLN CA C 51 57.209 57.209 55.750 1.459 18612 12430 1 18 . 1 1 51 51 GLN CB C 51 30.788 30.788 31.184 -0.396 18612 12431 1 18 . 1 1 51 51 GLN H H 51 8.273 8.273 8.392 -0.119 18612 12432 1 18 . 1 1 52 52 LYS N N 52 122.761 122.761 122.775 -0.014 18612 12433 1 18 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.487 -0.172 18612 12434 1 18 . 1 1 52 52 LYS CA C 52 56.480 56.480 56.712 -0.232 18612 12435 1 18 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.103 -0.181 18612 12436 1 18 . 1 1 52 52 LYS H H 52 8.251 8.251 8.626 -0.375 18612 12437 1 18 . 1 1 53 53 PHE N N 53 121.326 121.326 118.823 2.503 18612 12438 1 18 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.671 -0.027 18612 12439 1 18 . 1 1 53 53 PHE CA C 53 57.640 57.640 58.325 -0.685 18612 12440 1 18 . 1 1 53 53 PHE CB C 53 39.588 39.588 40.540 -0.952 18612 12441 1 18 . 1 1 53 53 PHE H H 53 8.153 8.153 7.922 0.231 18612 12442 1 18 . 1 1 54 54 VAL N N 54 122.941 122.941 119.834 3.107 18612 12443 1 18 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.505 -0.462 18612 12444 1 18 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.819 0.161 18612 12445 1 18 . 1 1 54 54 VAL CB C 54 33.181 33.181 33.545 -0.364 18612 12446 1 18 . 1 1 54 54 VAL H H 54 7.960 7.960 7.775 0.185 18612 12447 1 18 . 1 1 55 55 LEU N N 55 126.751 126.751 123.605 3.146 18612 12448 1 18 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.813 -0.500 18612 12449 1 18 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.709 0.351 18612 12450 1 18 . 1 1 55 55 LEU CB C 55 42.315 42.315 44.781 -2.466 18612 12451 1 18 . 1 1 55 55 LEU H H 55 8.226 8.226 8.206 0.020 18612 12452 1 18 . 1 1 56 56 LYS N N 56 123.614 123.614 120.025 3.589 18612 12453 1 18 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.668 -0.296 18612 12454 1 18 . 1 1 56 56 LYS CA C 56 55.912 55.912 55.550 0.362 18612 12455 1 18 . 1 1 56 56 LYS CB C 56 33.191 33.191 34.091 -0.900 18612 12456 1 18 . 1 1 56 56 LYS H H 56 8.320 8.320 8.461 -0.141 18612 12457 1 18 . 1 1 57 57 THR N N 57 115.794 115.794 116.429 -0.635 18612 12458 1 18 . 1 1 57 57 THR HA H 57 4.349 4.349 4.496 -0.147 18612 12459 1 18 . 1 1 57 57 THR CA C 57 58.960 58.960 60.679 -1.719 18612 12460 1 18 . 1 1 57 57 THR CB C 57 70.740 70.740 68.692 2.048 18612 12461 1 18 . 1 1 57 57 THR H H 57 7.892 7.892 8.103 -0.211 18612 12462 1 18 . 1 1 59 59 LYS N N 59 121.755 121.755 117.731 4.024 18612 12463 1 18 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.379 -0.152 18612 12464 1 18 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.809 -0.289 18612 12465 1 18 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.194 -0.100 18612 12466 1 18 . 1 1 59 59 LYS H H 59 8.300 8.300 8.218 0.082 18612 12467 1 18 . 1 1 60 60 ALA N N 60 125.263 125.263 122.404 2.859 18612 12468 1 18 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.406 -0.128 18612 12469 1 18 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.365 0.499 18612 12470 1 18 . 1 1 60 60 ALA CB C 60 18.980 18.980 18.562 0.418 18612 12471 1 18 . 1 1 60 60 ALA H H 60 8.290 8.290 8.077 0.213 18612 12472 1 18 . 1 1 61 61 LEU N N 61 121.255 121.255 119.657 1.598 18612 12473 1 18 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.362 -0.082 18612 12474 1 18 . 1 1 61 61 LEU CA C 61 55.585 55.585 56.083 -0.498 18612 12475 1 18 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.597 -0.352 18612 12476 1 18 . 1 1 61 61 LEU H H 61 8.144 8.144 7.610 0.534 18612 12477 1 18 . 1 1 62 62 GLU N N 62 121.401 121.401 119.677 1.724 18612 12478 1 18 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.401 -0.125 18612 12479 1 18 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.413 1.517 18612 12480 1 18 . 1 1 62 62 GLU CB C 62 30.235 30.235 29.790 0.445 18612 12481 1 18 . 1 1 62 62 GLU H H 62 8.266 8.266 8.239 0.027 18612 12482 1 18 . 1 1 64 64 LYS N N 64 120.575 120.575 125.650 -5.075 18612 12483 1 18 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.222 0.022 18612 12484 1 18 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.480 -0.395 18612 12485 1 18 . 1 1 64 64 LYS CB C 64 29.470 29.470 30.497 -1.027 18612 12486 1 18 . 1 1 64 64 LYS H H 64 8.106 8.106 8.189 -0.083 18612 12487 1 18 . 1 1 65 65 ILE N N 65 122.492 122.492 120.061 2.431 18612 12488 1 18 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.499 -0.359 18612 12489 1 18 . 1 1 65 65 ILE CA C 65 61.180 61.180 59.742 1.438 18612 12490 1 18 . 1 1 65 65 ILE CB C 65 38.550 38.550 40.038 -1.488 18612 12491 1 18 . 1 1 65 65 ILE H H 65 8.135 8.135 8.115 0.020 18612 12492 1 18 . 1 1 66 66 ARG N N 66 125.714 125.714 118.695 7.019 18612 12493 1 18 . 1 1 66 66 ARG HA H 66 4.468 4.468 3.978 0.490 18612 12494 1 18 . 1 1 66 66 ARG CA C 66 56.067 56.067 58.450 -2.383 18612 12495 1 18 . 1 1 66 66 ARG CB C 66 31.026 31.026 29.141 1.885 18612 12496 1 18 . 1 1 66 66 ARG H H 66 8.402 8.402 8.843 -0.441 18612 12497 1 18 . 1 1 67 67 THR N N 67 115.622 115.622 111.086 4.536 18612 12498 1 18 . 1 1 67 67 THR HA H 67 4.445 4.445 4.572 -0.127 18612 12499 1 18 . 1 1 67 67 THR CA C 67 61.650 61.650 61.187 0.464 18612 12500 1 18 . 1 1 67 67 THR CB C 67 69.620 69.620 70.695 -1.075 18612 12501 1 18 . 1 1 67 67 THR H H 67 8.281 8.281 8.217 0.064 18612 12502 1 18 . 1 1 68 68 THR N N 68 116.774 116.774 114.655 2.119 18612 12503 1 18 . 1 1 68 68 THR HA H 68 4.503 4.503 4.386 0.117 18612 12504 1 18 . 1 1 68 68 THR CA C 68 61.050 61.050 63.655 -2.605 18612 12505 1 18 . 1 1 68 68 THR CB C 68 69.210 69.210 68.993 0.217 18612 12506 1 18 . 1 1 68 68 THR H H 68 8.076 8.076 8.399 -0.323 18612 12507 1 18 . 1 1 69 69 GLU N N 69 124.048 124.048 121.485 2.563 18612 12508 1 18 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.534 -0.158 18612 12509 1 18 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.629 -0.229 18612 12510 1 18 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.294 0.324 18612 12511 1 18 . 1 1 69 69 GLU H H 69 8.515 8.515 8.595 -0.080 18612 12512 1 18 . 1 1 70 70 THR N N 70 118.988 118.988 111.221 7.767 18612 12513 1 18 . 1 1 70 70 THR HA H 70 3.741 3.741 4.593 -0.853 18612 12514 1 18 . 1 1 70 70 THR CA C 70 64.680 64.680 61.834 2.846 18612 12515 1 18 . 1 1 70 70 THR CB C 70 68.770 68.770 70.822 -2.052 18612 12516 1 18 . 1 1 70 70 THR H H 70 8.259 8.259 7.252 1.007 18612 12517 1 18 . 1 1 71 71 GLN N N 71 125.858 125.858 126.563 -0.705 18612 12518 1 18 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.680 -0.386 18612 12519 1 18 . 1 1 71 71 GLN CA C 71 57.400 57.400 56.497 0.903 18612 12520 1 18 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.715 1.356 18612 12521 1 18 . 1 1 71 71 GLN H H 71 8.795 8.795 8.529 0.266 18612 12522 1 18 . 1 1 72 72 VAL N N 72 113.505 113.505 111.139 2.366 18612 12523 1 18 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.032 -0.134 18612 12524 1 18 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.313 -0.693 18612 12525 1 18 . 1 1 72 72 VAL CB C 72 35.404 35.404 34.992 0.412 18612 12526 1 18 . 1 1 72 72 VAL H H 72 7.325 7.325 7.518 -0.193 18612 12527 1 18 . 1 1 73 73 LEU N N 73 128.725 128.725 120.747 7.978 18612 12528 1 18 . 1 1 73 73 LEU HA H 73 5.092 5.092 5.166 -0.074 18612 12529 1 18 . 1 1 73 73 LEU CA C 73 52.740 52.740 54.052 -1.312 18612 12530 1 18 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.310 -1.229 18612 12531 1 18 . 1 1 73 73 LEU H H 73 8.170 8.170 8.570 -0.400 18612 12532 1 18 . 1 1 74 74 VAL N N 74 127.634 127.634 123.827 3.807 18612 12533 1 18 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.366 0.400 18612 12534 1 18 . 1 1 74 74 VAL CA C 74 62.090 62.090 62.034 0.056 18612 12535 1 18 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.546 -0.856 18612 12536 1 18 . 1 1 74 74 VAL H H 74 8.913 8.913 8.023 0.890 18612 12537 1 18 . 1 1 75 75 ALA N N 75 132.602 132.602 129.662 2.940 18612 12538 1 18 . 1 1 75 75 ALA HA H 75 4.807 4.807 5.138 -0.331 18612 12539 1 18 . 1 1 75 75 ALA CA C 75 50.900 50.900 49.293 1.607 18612 12540 1 18 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.590 1.330 18612 12541 1 18 . 1 1 75 75 ALA H H 75 9.421 9.421 9.057 0.364 18612 12542 1 18 . 1 1 76 76 SER N N 76 111.274 111.274 114.068 -2.794 18612 12543 1 18 . 1 1 76 76 SER HA H 76 4.951 4.951 5.209 -0.258 18612 12544 1 18 . 1 1 76 76 SER CA C 76 56.940 56.940 56.692 0.248 18612 12545 1 18 . 1 1 76 76 SER CB C 76 65.960 65.960 64.828 1.132 18612 12546 1 18 . 1 1 76 76 SER H H 76 8.106 8.106 8.325 -0.219 18612 12547 1 18 . 1 1 77 77 ALA N N 77 125.393 125.393 123.209 2.184 18612 12548 1 18 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.625 -0.164 18612 12549 1 18 . 1 1 77 77 ALA CA C 77 52.754 52.754 51.555 1.199 18612 12550 1 18 . 1 1 77 77 ALA CB C 77 19.740 19.740 20.395 -0.655 18612 12551 1 18 . 1 1 77 77 ALA H H 77 9.004 9.004 8.394 0.610 18612 12552 1 18 . 1 1 78 78 GLN N N 78 116.290 116.290 118.687 -2.397 18612 12553 1 18 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.422 0.021 18612 12554 1 18 . 1 1 78 78 GLN CA C 78 56.630 56.630 56.282 0.348 18612 12555 1 18 . 1 1 78 78 GLN CB C 78 30.553 30.553 31.389 -0.836 18612 12556 1 18 . 1 1 78 78 GLN H H 78 7.985 7.985 7.731 0.254 18612 12557 1 18 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.429 0.134 18612 12558 1 18 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.868 -7.868 18612 12559 1 18 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.681 -1.660 18612 12560 1 18 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.467 0.331 18612 12561 1 18 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.069 -0.163 18612 12562 1 18 . 1 1 85 85 ARG N N 85 119.948 119.948 118.113 1.835 18612 12563 1 18 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.054 -0.183 18612 12564 1 18 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.225 1.455 18612 12565 1 18 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.859 2.062 18612 12566 1 18 . 1 1 85 85 ARG H H 85 8.229 8.229 8.319 -0.090 18612 12567 1 18 . 1 1 86 86 LEU N N 86 120.227 120.227 119.951 0.276 18612 12568 1 18 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.160 -0.334 18612 12569 1 18 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.411 0.779 18612 12570 1 18 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.010 0.578 18612 12571 1 18 . 1 1 86 86 LEU H H 86 8.459 8.459 8.047 0.412 18612 12572 1 18 . 1 1 87 87 LYS N N 87 120.470 120.470 120.166 0.304 18612 12573 1 18 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.075 -0.054 18612 12574 1 18 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.142 0.238 18612 12575 1 18 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.079 0.819 18612 12576 1 18 . 1 1 87 87 LYS H H 87 7.945 7.945 8.087 -0.142 18612 12577 1 18 . 1 1 88 88 LEU N N 88 119.799 119.799 121.347 -1.548 18612 12578 1 18 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.053 0.154 18612 12579 1 18 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.226 -0.546 18612 12580 1 18 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.172 -0.947 18612 12581 1 18 . 1 1 88 88 LEU H H 88 7.547 7.547 7.781 -0.234 18612 12582 1 18 . 1 1 89 89 VAL N N 89 118.828 118.828 118.613 0.215 18612 12583 1 18 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.492 -0.174 18612 12584 1 18 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.561 1.189 18612 12585 1 18 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.594 -0.216 18612 12586 1 18 . 1 1 89 89 VAL H H 89 8.347 8.347 7.914 0.433 18612 12587 1 18 . 1 1 90 90 SER N N 90 114.835 114.835 116.392 -1.557 18612 12588 1 18 . 1 1 90 90 SER HA H 90 4.207 4.207 4.128 0.079 18612 12589 1 18 . 1 1 90 90 SER CA C 90 62.000 62.000 62.275 -0.275 18612 12590 1 18 . 1 1 90 90 SER CB C 90 62.770 62.770 62.760 0.011 18612 12591 1 18 . 1 1 90 90 SER H H 90 7.942 7.942 7.811 0.131 18612 12592 1 18 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.027 0.016 18612 12593 1 18 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.792 -0.352 18612 12594 1 18 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.584 0.650 18612 12595 1 18 . 1 1 92 92 LEU N N 92 119.720 119.720 120.375 -0.655 18612 12596 1 18 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.939 0.009 18612 12597 1 18 . 1 1 92 92 LEU CA C 92 58.120 58.120 59.084 -0.964 18612 12598 1 18 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.864 -1.288 18612 12599 1 18 . 1 1 92 92 LEU H H 92 8.379 8.379 8.169 0.210 18612 12600 1 18 . 1 1 93 93 GLN N N 93 120.938 120.938 118.830 2.108 18612 12601 1 18 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.220 0.333 18612 12602 1 18 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.713 0.337 18612 12603 1 18 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.695 -0.715 18612 12604 1 18 . 1 1 93 93 GLN H H 93 8.751 8.751 8.414 0.337 18612 12605 1 18 . 1 1 94 94 ASP N N 94 122.442 122.442 118.208 4.234 18612 12606 1 18 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.553 -0.094 18612 12607 1 18 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.131 0.969 18612 12608 1 18 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.144 -0.883 18612 12609 1 18 . 1 1 94 94 ASP H H 94 8.470 8.470 8.157 0.313 18612 12610 1 18 . 1 1 95 95 ALA N N 95 120.437 120.437 120.607 -0.170 18612 12611 1 18 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.442 0.070 18612 12612 1 18 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.392 -1.647 18612 12613 1 18 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.759 0.261 18612 12614 1 18 . 1 1 95 95 ALA H H 95 7.340 7.340 8.118 -0.778 18612 12615 1 18 . 1 1 96 96 GLY N N 96 106.865 106.865 105.437 1.428 18612 12616 1 18 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.865 0.425 18612 12617 1 18 . 1 1 96 96 GLY H H 96 7.987 7.987 8.161 -0.174 18612 12618 1 18 . 1 1 97 97 ILE N N 97 122.489 122.489 115.890 6.599 18612 12619 1 18 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.453 -0.199 18612 12620 1 18 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.184 0.467 18612 12621 1 18 . 1 1 97 97 ILE CB C 97 37.973 37.973 40.743 -2.770 18612 12622 1 18 . 1 1 97 97 ILE H H 97 8.062 8.062 8.034 0.028 18612 12623 1 18 . 1 1 98 98 LYS N N 98 127.459 127.459 124.193 3.266 18612 12624 1 18 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.167 0.340 18612 12625 1 18 . 1 1 98 98 LYS CA C 98 55.921 55.921 57.343 -1.422 18612 12626 1 18 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.696 -0.262 18612 12627 1 18 . 1 1 98 98 LYS H H 98 8.574 8.574 8.781 -0.207 18612 12628 1 18 . 1 1 99 99 ALA N N 99 130.423 130.423 129.018 1.405 18612 12629 1 18 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.856 0.908 18612 12630 1 18 . 1 1 99 99 ALA CA C 99 49.211 49.211 51.393 -2.182 18612 12631 1 18 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.326 4.544 18612 12632 1 18 . 1 1 99 99 ALA H H 99 7.813 7.813 8.152 -0.339 18612 12633 1 18 . 1 1 100 100 GLU N N 100 118.988 118.988 123.392 -4.404 18612 12634 1 18 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.741 0.094 18612 12635 1 18 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.453 0.253 18612 12636 1 18 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.598 2.323 18612 12637 1 18 . 1 1 100 100 GLU H H 100 8.226 8.226 8.795 -0.569 18612 12638 1 18 . 1 1 101 101 LEU N N 101 120.024 120.024 121.655 -1.631 18612 12639 1 18 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.641 0.073 18612 12640 1 18 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.040 0.720 18612 12641 1 18 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.048 1.036 18612 12642 1 18 . 1 1 101 101 LEU H H 101 8.478 8.478 8.603 -0.125 18612 12643 1 18 . 1 1 102 102 LEU N N 102 118.623 118.623 123.445 -4.822 18612 12644 1 18 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.257 -0.223 18612 12645 1 18 . 1 1 102 102 LEU CA C 102 58.460 58.460 52.762 5.698 18612 12646 1 18 . 1 1 102 102 LEU CB C 102 41.225 41.225 43.408 -2.183 18612 12647 1 18 . 1 1 102 102 LEU H H 102 8.763 8.763 7.735 1.028 18612 12648 1 18 . 1 1 103 103 TYR N N 103 115.970 115.970 112.288 3.682 18612 12649 1 18 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.136 0.446 18612 12650 1 18 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.996 -2.023 18612 12651 1 18 . 1 1 103 103 TYR CB C 103 38.732 38.732 35.584 3.148 18612 12652 1 18 . 1 1 103 103 TYR H H 103 7.378 7.378 7.834 -0.456 18612 12653 1 18 . 1 1 104 104 LYS N N 104 120.577 120.577 120.136 0.441 18612 12654 1 18 . 1 1 104 104 LYS HA H 104 4.139 4.139 3.905 0.234 18612 12655 1 18 . 1 1 104 104 LYS CA C 104 56.480 56.480 57.293 -0.813 18612 12656 1 18 . 1 1 104 104 LYS CB C 104 32.922 32.922 31.299 1.623 18612 12657 1 18 . 1 1 104 104 LYS H H 104 7.906 7.906 7.473 0.433 18612 12658 1 18 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.046 -0.017 18612 12659 1 18 . 1 1 112 112 GLN HA H 112 3.999 3.999 3.952 0.047 18612 12660 1 18 . 1 1 113 113 LEU N N 113 120.147 120.147 119.102 1.045 18612 12661 1 18 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.136 -0.153 18612 12662 1 18 . 1 1 113 113 LEU CA C 113 58.420 58.420 56.558 1.862 18612 12663 1 18 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.872 -1.279 18612 12664 1 18 . 1 1 113 113 LEU H H 113 8.365 8.365 7.762 0.603 18612 12665 1 18 . 1 1 114 114 GLN N N 114 119.995 119.995 120.198 -0.203 18612 12666 1 18 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.058 -0.021 18612 12667 1 18 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.409 -0.439 18612 12668 1 18 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.550 -0.360 18612 12669 1 18 . 1 1 114 114 GLN H H 114 8.126 8.126 8.494 -0.368 18612 12670 1 18 . 1 1 115 115 TYR N N 115 120.358 120.358 119.665 0.693 18612 12671 1 18 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.349 -0.054 18612 12672 1 18 . 1 1 115 115 TYR CA C 115 61.030 61.030 62.081 -1.051 18612 12673 1 18 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.894 -1.125 18612 12674 1 18 . 1 1 115 115 TYR H H 115 7.819 7.819 8.692 -0.873 18612 12675 1 18 . 1 1 116 116 CYS N N 116 116.264 116.264 118.270 -2.006 18612 12676 1 18 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.136 -0.320 18612 12677 1 18 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.613 1.617 18612 12678 1 18 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.231 0.089 18612 12679 1 18 . 1 1 116 116 CYS H H 116 7.710 7.710 8.203 -0.493 18612 12680 1 18 . 1 1 117 117 GLU N N 117 119.526 119.526 119.009 0.517 18612 12681 1 18 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.047 -0.199 18612 12682 1 18 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.710 -0.560 18612 12683 1 18 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.572 0.128 18612 12684 1 18 . 1 1 117 117 GLU H H 117 7.912 7.912 7.644 0.268 18612 12685 1 18 . 1 1 118 118 GLU N N 118 119.875 119.875 118.593 1.282 18612 12686 1 18 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.195 -0.226 18612 12687 1 18 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.653 0.127 18612 12688 1 18 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.960 -0.150 18612 12689 1 18 . 1 1 118 118 GLU H H 118 7.988 7.988 7.751 0.237 18612 12690 1 18 . 1 1 119 119 ALA N N 119 119.118 119.118 120.921 -1.803 18612 12691 1 18 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.416 -0.250 18612 12692 1 18 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.556 -0.902 18612 12693 1 18 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.587 -0.507 18612 12694 1 18 . 1 1 119 119 ALA H H 119 8.137 8.137 7.978 0.159 18612 12695 1 18 . 1 1 120 120 GLY N N 120 106.604 106.604 107.345 -0.741 18612 12696 1 18 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.124 2.253 18612 12697 1 18 . 1 1 120 120 GLY H H 120 7.550 7.550 8.447 -0.897 18612 12698 1 18 . 1 1 121 121 ILE N N 121 124.026 124.026 118.213 5.813 18612 12699 1 18 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.115 -0.104 18612 12700 1 18 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.732 1.318 18612 12701 1 18 . 1 1 121 121 ILE CB C 121 40.051 40.051 35.460 4.591 18612 12702 1 18 . 1 1 121 121 ILE H H 121 7.918 7.918 7.400 0.518 18612 12703 1 18 . 1 1 123 123 LEU N N 123 119.541 119.541 118.781 0.760 18612 12704 1 18 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.426 1.077 18612 12705 1 18 . 1 1 123 123 LEU CA C 123 53.686 53.686 55.478 -1.792 18612 12706 1 18 . 1 1 123 123 LEU CB C 123 47.057 47.057 43.082 3.975 18612 12707 1 18 . 1 1 123 123 LEU H H 123 6.973 6.973 7.774 -0.801 18612 12708 1 18 . 1 1 124 124 VAL N N 124 119.580 119.580 115.741 3.839 18612 12709 1 18 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.141 -0.105 18612 12710 1 18 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.255 -0.675 18612 12711 1 18 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.447 -1.190 18612 12712 1 18 . 1 1 124 124 VAL H H 124 8.823 8.823 7.899 0.924 18612 12713 1 18 . 1 1 125 125 ALA N N 125 130.810 130.810 124.460 6.350 18612 12714 1 18 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.232 -0.076 18612 12715 1 18 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.089 -1.894 18612 12716 1 18 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.650 -2.590 18612 12717 1 18 . 1 1 125 125 ALA H H 125 9.083 9.083 8.577 0.506 18612 12718 1 18 . 1 1 126 126 ILE N N 126 124.925 124.925 124.521 0.404 18612 12719 1 18 . 1 1 126 126 ILE HA H 126 4.503 4.503 5.264 -0.761 18612 12720 1 18 . 1 1 126 126 ILE CA C 126 60.960 60.960 58.877 2.083 18612 12721 1 18 . 1 1 126 126 ILE CB C 126 39.805 39.805 37.158 2.647 18612 12722 1 18 . 1 1 126 126 ILE H H 126 9.564 9.564 8.019 1.545 18612 12723 1 18 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.665 -0.022 18612 12724 1 18 . 1 1 127 127 ILE CA C 127 59.440 59.440 58.853 0.587 18612 12725 1 18 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.613 0.389 18612 12726 1 18 . 1 1 129 129 GLU N N 129 121.547 121.547 121.076 0.471 18612 12727 1 18 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.470 -0.522 18612 12728 1 18 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.701 2.699 18612 12729 1 18 . 1 1 129 129 GLU CB C 129 30.302 30.302 31.762 -1.460 18612 12730 1 18 . 1 1 129 129 GLU H H 129 9.035 9.035 8.577 0.458 18612 12731 1 18 . 1 1 130 130 GLN N N 130 120.221 120.221 118.923 1.298 18612 12732 1 18 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.056 -0.179 18612 12733 1 18 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.511 -1.091 18612 12734 1 18 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.642 -0.242 18612 12735 1 18 . 1 1 130 130 GLN H H 130 8.914 8.914 8.695 0.219 18612 12736 1 18 . 1 1 131 131 GLU N N 131 120.680 120.680 119.467 1.213 18612 12737 1 18 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.193 -0.254 18612 12738 1 18 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.709 2.501 18612 12739 1 18 . 1 1 131 131 GLU CB C 131 28.170 28.170 28.986 -0.816 18612 12740 1 18 . 1 1 131 131 GLU H H 131 8.871 8.871 8.603 0.268 18612 12741 1 18 . 1 1 132 132 LEU N N 132 118.303 118.303 120.167 -1.864 18612 12742 1 18 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.120 0.242 18612 12743 1 18 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.734 -1.618 18612 12744 1 18 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.961 -0.138 18612 12745 1 18 . 1 1 132 132 LEU H H 132 8.152 8.152 7.822 0.330 18612 12746 1 18 . 1 1 133 133 LYS N N 133 120.924 120.924 119.003 1.921 18612 12747 1 18 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.107 -0.026 18612 12748 1 18 . 1 1 133 133 LYS CA C 133 59.580 59.580 59.518 0.062 18612 12749 1 18 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.415 0.057 18612 12750 1 18 . 1 1 133 133 LYS H H 133 7.631 7.631 7.853 -0.222 18612 12751 1 18 . 1 1 134 134 ASP N N 134 118.256 118.256 116.278 1.978 18612 12752 1 18 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.620 0.049 18612 12753 1 18 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.739 -0.588 18612 12754 1 18 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.232 0.149 18612 12755 1 18 . 1 1 134 134 ASP H H 134 7.985 7.985 8.133 -0.148 18612 12756 1 18 . 1 1 135 135 GLY N N 135 109.383 109.383 104.136 5.247 18612 12757 1 18 . 1 1 135 135 GLY CA C 135 46.563 46.563 44.821 1.742 18612 12758 1 18 . 1 1 135 135 GLY H H 135 8.019 8.019 7.860 0.159 18612 12759 1 18 . 1 1 136 136 VAL N N 136 117.112 117.112 115.056 2.056 18612 12760 1 18 . 1 1 136 136 VAL HA H 136 4.903 4.903 3.702 1.201 18612 12761 1 18 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.230 -3.280 18612 12762 1 18 . 1 1 136 136 VAL CB C 136 35.885 35.885 31.448 4.437 18612 12763 1 18 . 1 1 136 136 VAL H H 136 8.229 8.229 7.321 0.908 18612 12764 1 18 . 1 1 137 137 ILE N N 137 121.971 121.971 120.950 1.021 18612 12765 1 18 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.579 -0.405 18612 12766 1 18 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.466 -1.906 18612 12767 1 18 . 1 1 137 137 ILE CB C 137 40.789 40.789 37.849 2.940 18612 12768 1 18 . 1 1 137 137 ILE H H 137 8.975 8.975 7.975 1.000 18612 12769 1 18 . 1 1 138 138 LYS N N 138 126.613 126.613 128.525 -1.912 18612 12770 1 18 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.928 -0.004 18612 12771 1 18 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.895 0.820 18612 12772 1 18 . 1 1 138 138 LYS CB C 138 33.217 33.217 33.278 -0.061 18612 12773 1 18 . 1 1 138 138 LYS H H 138 7.726 7.726 8.181 -0.455 18612 12774 1 18 . 1 1 139 139 LEU N N 139 129.177 129.177 127.886 1.291 18612 12775 1 18 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.625 0.578 18612 12776 1 18 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.167 -0.877 18612 12777 1 18 . 1 1 139 139 LEU CB C 139 44.760 44.760 42.526 2.234 18612 12778 1 18 . 1 1 139 139 LEU H H 139 9.404 9.404 8.256 1.148 18612 12779 1 18 . 1 1 140 140 ARG N N 140 128.243 128.243 127.103 1.140 18612 12780 1 18 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.635 0.627 18612 12781 1 18 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.512 -1.827 18612 12782 1 18 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.777 -2.787 18612 12783 1 18 . 1 1 140 140 ARG H H 140 9.540 9.540 8.562 0.978 18612 12784 1 18 . 1 1 142 142 VAL N N 142 129.670 129.670 122.280 7.390 18612 12785 1 18 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.694 -0.147 18612 12786 1 18 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.667 0.283 18612 12787 1 18 . 1 1 142 142 VAL CB C 142 32.688 32.688 30.956 1.732 18612 12788 1 18 . 1 1 142 142 VAL H H 142 8.336 8.336 8.091 0.245 18612 12789 1 18 . 1 1 143 143 THR N N 143 111.061 111.061 114.210 -3.149 18612 12790 1 18 . 1 1 143 143 THR HA H 143 4.157 4.157 4.057 0.100 18612 12791 1 18 . 1 1 143 143 THR CA C 143 69.400 69.400 64.662 4.738 18612 12792 1 18 . 1 1 143 143 THR CB C 143 70.020 70.020 68.778 1.242 18612 12793 1 18 . 1 1 143 143 THR H H 143 8.248 8.248 8.274 -0.026 18612 12794 1 18 . 1 1 144 144 SER N N 144 115.158 115.158 114.347 0.811 18612 12795 1 18 . 1 1 144 144 SER HA H 144 4.514 4.514 4.424 0.090 18612 12796 1 18 . 1 1 144 144 SER CA C 144 58.370 58.370 59.962 -1.593 18612 12797 1 18 . 1 1 144 144 SER CB C 144 64.500 64.500 63.634 0.866 18612 12798 1 18 . 1 1 144 144 SER H H 144 7.812 7.812 8.288 -0.476 18612 12799 1 18 . 1 1 145 145 ARG N N 145 116.527 116.527 119.377 -2.850 18612 12800 1 18 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.502 -0.676 18612 12801 1 18 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.108 3.192 18612 12802 1 18 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.923 -3.723 18612 12803 1 18 . 1 1 145 145 ARG H H 145 7.836 7.836 7.763 0.073 18612 12804 1 18 . 1 1 146 146 GLU N N 146 119.889 119.889 118.012 1.877 18612 12805 1 18 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.401 -0.132 18612 12806 1 18 . 1 1 146 146 GLU CA C 146 56.930 56.930 57.045 -0.115 18612 12807 1 18 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.018 -0.380 18612 12808 1 18 . 1 1 146 146 GLU H H 146 7.675 7.675 8.501 -0.826 18612 12809 1 18 . 1 1 147 147 GLU N N 147 124.286 124.286 118.673 5.613 18612 12810 1 18 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.943 0.376 18612 12811 1 18 . 1 1 147 147 GLU CA C 147 54.935 54.935 54.814 0.121 18612 12812 1 18 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.335 0.405 18612 12813 1 18 . 1 1 147 147 GLU H H 147 8.602 8.602 8.079 0.523 18612 12814 1 18 . 1 1 148 148 VAL N N 148 120.587 120.587 114.122 6.465 18612 12815 1 18 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.582 -0.048 18612 12816 1 18 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.692 -0.032 18612 12817 1 18 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.697 -0.007 18612 12818 1 18 . 1 1 148 148 VAL H H 148 8.536 8.536 8.151 0.385 18612 12819 1 18 . 1 1 149 149 ASP N N 149 125.031 125.031 122.544 2.487 18612 12820 1 18 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.848 0.306 18612 12821 1 18 . 1 1 149 149 ASP CA C 149 53.913 53.913 54.300 -0.387 18612 12822 1 18 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.314 -1.533 18612 12823 1 18 . 1 1 149 149 ASP H H 149 8.411 8.411 8.370 0.041 18612 12824 1 18 . 1 1 150 150 VAL N N 150 123.264 123.264 122.516 0.748 18612 12825 1 18 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.453 -0.053 18612 12826 1 18 . 1 1 150 150 VAL CA C 150 59.640 59.640 60.561 -0.921 18612 12827 1 18 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.056 -1.031 18612 12828 1 18 . 1 1 150 150 VAL H H 150 9.061 9.061 8.695 0.366 18612 12829 1 18 . 1 1 151 151 ARG N N 151 125.112 125.112 120.644 4.468 18612 12830 1 18 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.548 -0.140 18612 12831 1 18 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.191 1.919 18612 12832 1 18 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.892 -1.002 18612 12833 1 18 . 1 1 151 151 ARG H H 151 9.048 9.048 8.749 0.299 18612 12834 1 18 . 1 1 152 152 ARG N N 152 124.828 124.828 118.126 6.702 18612 12835 1 18 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.833 -0.167 18612 12836 1 18 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.122 -0.092 18612 12837 1 18 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.378 1.632 18612 12838 1 18 . 1 1 152 152 ARG H H 152 8.582 8.582 8.761 -0.179 18612 12839 1 18 . 1 1 153 153 GLU N N 153 116.730 116.730 118.911 -2.181 18612 12840 1 18 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.094 0.106 18612 12841 1 18 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.473 -0.503 18612 12842 1 18 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.377 -0.796 18612 12843 1 18 . 1 1 153 153 GLU H H 153 9.924 9.924 8.242 1.682 18612 12844 1 18 . 1 1 154 154 ASP N N 154 119.318 119.318 118.566 0.752 18612 12845 1 18 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.438 0.580 18612 12846 1 18 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.701 -3.309 18612 12847 1 18 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.465 1.825 18612 12848 1 18 . 1 1 154 154 ASP H H 154 7.758 7.758 8.699 -0.941 18612 12849 1 18 . 1 1 155 155 LEU N N 155 121.863 121.863 118.732 3.131 18612 12850 1 18 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.202 -0.387 18612 12851 1 18 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.900 1.270 18612 12852 1 18 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.621 1.007 18612 12853 1 18 . 1 1 155 155 LEU H H 155 7.315 7.315 7.529 -0.214 18612 12854 1 18 . 1 1 156 156 VAL N N 156 118.555 118.555 120.095 -1.540 18612 12855 1 18 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.571 -0.316 18612 12856 1 18 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.640 1.020 18612 12857 1 18 . 1 1 156 156 VAL CB C 156 31.230 31.230 30.578 0.652 18612 12858 1 18 . 1 1 156 156 VAL H H 156 8.490 8.490 7.723 0.767 18612 12859 1 18 . 1 1 157 157 GLU N N 157 118.568 118.568 118.785 -0.217 18612 12860 1 18 . 1 1 157 157 GLU HA H 157 3.910 3.910 3.972 -0.062 18612 12861 1 18 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.930 -0.510 18612 12862 1 18 . 1 1 157 157 GLU H H 157 8.138 8.138 7.997 0.141 18612 12863 1 18 . 1 1 158 158 GLU N N 158 118.484 118.484 120.457 -1.973 18612 12864 1 18 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.074 0.066 18612 12865 1 18 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.359 -2.069 18612 12866 1 18 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.550 -0.076 18612 12867 1 18 . 1 1 158 158 GLU H H 158 8.138 8.138 7.697 0.441 18612 12868 1 18 . 1 1 159 159 ILE N N 159 119.508 119.508 120.465 -0.957 18612 12869 1 18 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.688 -0.260 18612 12870 1 18 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.223 0.667 18612 12871 1 18 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.836 -7.836 18612 12872 1 18 . 1 1 159 159 ILE H H 159 8.482 8.482 8.141 0.341 18612 12873 1 18 . 1 1 160 160 LYS N N 160 121.513 121.513 120.459 1.054 18612 12874 1 18 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.984 -0.206 18612 12875 1 18 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.786 1.064 18612 12876 1 18 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.327 -0.076 18612 12877 1 18 . 1 1 160 160 LYS H H 160 8.424 8.424 7.896 0.528 18612 12878 1 18 . 1 1 161 161 ARG N N 161 118.966 118.966 117.013 1.953 18612 12879 1 18 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.059 0.010 18612 12880 1 18 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.571 0.759 18612 12881 1 18 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.177 0.715 18612 12882 1 18 . 1 1 161 161 ARG H H 161 8.248 8.248 7.917 0.331 18612 12883 1 18 . 1 1 162 162 ARG N N 162 117.033 117.033 118.160 -1.127 18612 12884 1 18 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.115 0.127 18612 12885 1 18 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.836 -0.778 18612 12886 1 18 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.674 1.116 18612 12887 1 18 . 1 1 162 162 ARG H H 162 7.811 7.811 7.855 -0.044 18612 12888 1 18 . 1 1 163 163 THR N N 163 108.588 108.588 110.472 -1.884 18612 12889 1 18 . 1 1 163 163 THR HA H 163 4.549 4.549 4.096 0.453 18612 12890 1 18 . 1 1 163 163 THR CA C 163 61.820 61.820 64.566 -2.746 18612 12891 1 18 . 1 1 163 163 THR CB C 163 70.020 70.020 68.422 1.598 18612 12892 1 18 . 1 1 163 163 THR H H 163 7.831 7.831 8.243 -0.412 18612 12893 1 18 . 1 1 164 164 GLY N N 164 110.640 110.640 110.603 0.037 18612 12894 1 18 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.640 1.073 18612 12895 1 18 . 1 1 164 164 GLY H H 164 7.847 7.847 7.696 0.151 18612 12896 1 18 . 1 1 165 165 GLN N N 165 120.993 120.993 122.256 -1.263 18612 12897 1 18 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.045 -0.103 18612 12898 1 18 . 1 1 165 165 GLN CA C 165 56.077 56.077 54.984 1.093 18612 12899 1 18 . 1 1 165 165 GLN CB C 165 29.569 29.569 28.722 0.847 18612 12900 1 18 . 1 1 165 165 GLN H H 165 8.141 8.141 7.792 0.349 18612 12901 1 18 . 1 1 167 167 LEU N N 167 122.540 122.540 121.856 0.684 18612 12902 1 18 . 1 1 167 167 LEU H H 167 8.370 8.370 8.310 0.060 18612 12903 1 18 . 1 1 168 168 SER N N 168 116.635 116.635 117.708 -1.073 18612 12904 1 18 . 1 1 168 168 SER H H 168 8.269 8.269 8.256 0.013 18612 12905 1 18 . 1 1 169 169 ILE N N 169 122.767 122.767 122.902 -0.135 18612 12906 1 18 . 1 1 169 169 ILE H H 169 8.165 8.165 8.265 -0.100 18612 12907 1 19 . 1 1 2 2 GLU N N 2 120.329 120.329 117.482 2.847 18612 12908 1 19 . 1 1 2 2 GLU HA H 2 4.142 4.142 3.921 0.221 18612 12909 1 19 . 1 1 2 2 GLU CA C 2 59.070 59.070 58.363 0.707 18612 12910 1 19 . 1 1 2 2 GLU CB C 2 29.500 29.500 28.331 1.169 18612 12911 1 19 . 1 1 2 2 GLU H H 2 8.498 8.498 8.802 -0.304 18612 12912 1 19 . 1 1 3 3 ARG N N 3 121.547 121.547 120.326 1.221 18612 12913 1 19 . 1 1 3 3 ARG HA H 3 4.024 4.024 3.944 0.080 18612 12914 1 19 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.542 -0.302 18612 12915 1 19 . 1 1 3 3 ARG CB C 3 29.950 29.950 30.210 -0.260 18612 12916 1 19 . 1 1 3 3 ARG H H 3 8.238 8.238 8.130 0.108 18612 12917 1 19 . 1 1 4 4 ALA N N 4 121.449 121.449 121.272 0.177 18612 12918 1 19 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.135 0.068 18612 12919 1 19 . 1 1 4 4 ALA CA C 4 55.039 55.039 54.914 0.125 18612 12920 1 19 . 1 1 4 4 ALA CB C 4 17.910 17.910 17.917 -0.007 18612 12921 1 19 . 1 1 4 4 ALA H H 4 8.068 8.068 8.449 -0.381 18612 12922 1 19 . 1 1 5 5 ALA N N 5 121.000 121.000 121.424 -0.424 18612 12923 1 19 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.187 0.031 18612 12924 1 19 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.765 -0.022 18612 12925 1 19 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.229 0.181 18612 12926 1 19 . 1 1 5 5 ALA H H 5 7.831 7.831 8.225 -0.394 18612 12927 1 19 . 1 1 6 6 LEU N N 6 121.402 121.402 117.844 3.558 18612 12928 1 19 . 1 1 6 6 LEU HA H 6 4.161 4.161 4.125 0.036 18612 12929 1 19 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.096 -0.146 18612 12930 1 19 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.366 0.675 18612 12931 1 19 . 1 1 6 6 LEU H H 6 7.919 7.919 7.893 0.026 18612 12932 1 19 . 1 1 7 7 GLU N N 7 119.203 119.203 120.225 -1.022 18612 12933 1 19 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.850 0.008 18612 12934 1 19 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.477 -0.247 18612 12935 1 19 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.793 -0.253 18612 12936 1 19 . 1 1 7 7 GLU H H 7 8.706 8.706 8.545 0.161 18612 12937 1 19 . 1 1 8 8 GLU N N 8 120.194 120.194 118.247 1.947 18612 12938 1 19 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.077 0.118 18612 12939 1 19 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.987 0.183 18612 12940 1 19 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.131 0.329 18612 12941 1 19 . 1 1 8 8 GLU H H 8 7.761 7.761 8.010 -0.249 18612 12942 1 19 . 1 1 9 9 LEU N N 9 120.526 120.526 121.799 -1.273 18612 12943 1 19 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.077 0.087 18612 12944 1 19 . 1 1 9 9 LEU CA C 9 58.120 58.120 57.765 0.355 18612 12945 1 19 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.937 -0.149 18612 12946 1 19 . 1 1 9 9 LEU H H 9 7.913 7.913 7.656 0.257 18612 12947 1 19 . 1 1 10 10 VAL N N 10 120.804 120.804 119.512 1.292 18612 12948 1 19 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.525 -0.068 18612 12949 1 19 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.184 0.846 18612 12950 1 19 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.712 0.335 18612 12951 1 19 . 1 1 10 10 VAL H H 10 8.570 8.570 8.351 0.219 18612 12952 1 19 . 1 1 11 11 LYS N N 11 123.175 123.175 120.682 2.493 18612 12953 1 19 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.922 0.122 18612 12954 1 19 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.944 -0.074 18612 12955 1 19 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.379 0.013 18612 12956 1 19 . 1 1 11 11 LYS H H 11 7.909 7.909 7.685 0.224 18612 12957 1 19 . 1 1 12 12 LEU N N 12 120.772 120.772 117.742 3.030 18612 12958 1 19 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.037 0.069 18612 12959 1 19 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.427 0.493 18612 12960 1 19 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.707 0.130 18612 12961 1 19 . 1 1 12 12 LEU H H 12 8.436 8.436 7.829 0.607 18612 12962 1 19 . 1 1 13 13 GLN N N 13 121.677 121.677 119.590 2.087 18612 12963 1 19 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.063 0.271 18612 12964 1 19 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.226 -1.826 18612 12965 1 19 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.251 -1.731 18612 12966 1 19 . 1 1 13 13 GLN H H 13 8.710 8.710 7.894 0.816 18612 12967 1 19 . 1 1 14 14 GLY N N 14 109.543 109.543 108.029 1.514 18612 12968 1 19 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.848 0.715 18612 12969 1 19 . 1 1 14 14 GLY H H 14 8.714 8.714 8.611 0.103 18612 12970 1 19 . 1 1 15 15 GLU N N 15 123.144 123.144 122.007 1.137 18612 12971 1 19 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.901 0.247 18612 12972 1 19 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.795 -0.826 18612 12973 1 19 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.387 0.073 18612 12974 1 19 . 1 1 15 15 GLU H H 15 7.913 7.913 7.861 0.052 18612 12975 1 19 . 1 1 16 16 ARG N N 16 123.135 123.135 119.571 3.564 18612 12976 1 19 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.040 0.098 18612 12977 1 19 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.398 -0.428 18612 12978 1 19 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.344 -0.944 18612 12979 1 19 . 1 1 16 16 ARG H H 16 8.104 8.104 7.811 0.293 18612 12980 1 19 . 1 1 17 17 VAL N N 17 119.501 119.501 119.830 -0.329 18612 12981 1 19 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.555 -0.142 18612 12982 1 19 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.694 0.756 18612 12983 1 19 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.511 0.547 18612 12984 1 19 . 1 1 17 17 VAL H H 17 8.192 8.192 7.788 0.404 18612 12985 1 19 . 1 1 18 18 ARG N N 18 119.372 119.372 118.952 0.420 18612 12986 1 19 . 1 1 18 18 ARG HA H 18 3.934 3.934 3.985 -0.051 18612 12987 1 19 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.744 0.316 18612 12988 1 19 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.726 0.546 18612 12989 1 19 . 1 1 18 18 ARG H H 18 7.980 7.980 8.548 -0.568 18612 12990 1 19 . 1 1 19 19 GLY N N 19 107.241 107.241 108.171 -0.930 18612 12991 1 19 . 1 1 19 19 GLY CA C 19 47.362 47.362 47.022 0.340 18612 12992 1 19 . 1 1 19 19 GLY H H 19 8.362 8.362 7.873 0.489 18612 12993 1 19 . 1 1 20 20 LEU N N 20 122.627 122.627 119.654 2.973 18612 12994 1 19 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.385 -0.336 18612 12995 1 19 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.620 0.270 18612 12996 1 19 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.636 0.784 18612 12997 1 19 . 1 1 20 20 LEU H H 20 8.049 8.049 7.800 0.249 18612 12998 1 19 . 1 1 21 21 LYS N N 21 118.255 118.255 120.004 -1.749 18612 12999 1 19 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.843 0.215 18612 13000 1 19 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.837 0.173 18612 13001 1 19 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.038 0.556 18612 13002 1 19 . 1 1 21 21 LYS H H 21 8.123 8.123 8.679 -0.556 18612 13003 1 19 . 1 1 22 22 GLN N N 22 121.183 121.183 117.214 3.969 18612 13004 1 19 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.177 -0.090 18612 13005 1 19 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.196 0.564 18612 13006 1 19 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.029 -0.429 18612 13007 1 19 . 1 1 22 22 GLN H H 22 8.234 8.234 7.484 0.750 18612 13008 1 19 . 1 1 23 23 GLN N N 23 116.219 116.219 118.008 -1.789 18612 13009 1 19 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.259 0.004 18612 13010 1 19 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.335 -1.657 18612 13011 1 19 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.688 -0.418 18612 13012 1 19 . 1 1 23 23 GLN H H 23 7.820 7.820 7.884 -0.064 18612 13013 1 19 . 1 1 24 24 LYS N N 24 117.349 117.349 115.918 1.431 18612 13014 1 19 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.500 -0.588 18612 13015 1 19 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.663 1.367 18612 13016 1 19 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.731 -4.881 18612 13017 1 19 . 1 1 24 24 LYS H H 24 7.884 7.884 8.172 -0.288 18612 13018 1 19 . 1 1 25 25 ALA N N 25 119.909 119.909 121.729 -1.820 18612 13019 1 19 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.030 0.249 18612 13020 1 19 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.284 -1.264 18612 13021 1 19 . 1 1 25 25 ALA CB C 25 21.320 21.320 16.664 4.656 18612 13022 1 19 . 1 1 25 25 ALA H H 25 7.620 7.620 8.001 -0.381 18612 13023 1 19 . 1 1 26 26 SER N N 26 113.188 113.188 114.846 -1.658 18612 13024 1 19 . 1 1 26 26 SER HA H 26 4.244 4.244 4.044 0.200 18612 13025 1 19 . 1 1 26 26 SER CA C 26 58.390 58.390 61.265 -2.875 18612 13026 1 19 . 1 1 26 26 SER CB C 26 63.830 63.830 63.727 0.103 18612 13027 1 19 . 1 1 26 26 SER H H 26 8.228 8.228 8.175 0.053 18612 13028 1 19 . 1 1 27 27 ALA N N 27 127.550 127.550 120.218 7.332 18612 13029 1 19 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.925 0.059 18612 13030 1 19 . 1 1 27 27 ALA CA C 27 55.582 55.582 53.850 1.732 18612 13031 1 19 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.059 1.711 18612 13032 1 19 . 1 1 27 27 ALA H H 27 8.769 8.769 8.126 0.643 18612 13033 1 19 . 1 1 28 28 GLU N N 28 117.317 117.317 120.180 -2.863 18612 13034 1 19 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.044 0.030 18612 13035 1 19 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.628 0.072 18612 13036 1 19 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.756 -0.676 18612 13037 1 19 . 1 1 28 28 GLU H H 28 8.830 8.830 8.125 0.705 18612 13038 1 19 . 1 1 29 29 LEU N N 29 122.971 122.971 116.128 6.843 18612 13039 1 19 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.271 0.040 18612 13040 1 19 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.711 -0.141 18612 13041 1 19 . 1 1 29 29 LEU CB C 29 41.605 41.605 40.938 0.667 18612 13042 1 19 . 1 1 29 29 LEU H H 29 7.401 7.401 7.913 -0.512 18612 13043 1 19 . 1 1 30 30 ILE N N 30 118.784 118.784 120.625 -1.841 18612 13044 1 19 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.511 -0.114 18612 13045 1 19 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.853 0.457 18612 13046 1 19 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.633 0.190 18612 13047 1 19 . 1 1 30 30 ILE H H 30 8.019 8.019 7.924 0.095 18612 13048 1 19 . 1 1 31 31 GLU N N 31 118.215 118.215 119.156 -0.941 18612 13049 1 19 . 1 1 31 31 GLU HA H 31 3.968 3.968 4.024 -0.056 18612 13050 1 19 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.762 0.078 18612 13051 1 19 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.466 -0.026 18612 13052 1 19 . 1 1 31 31 GLU H H 31 8.367 8.367 8.477 -0.110 18612 13053 1 19 . 1 1 32 32 GLU N N 32 120.284 120.284 119.551 0.733 18612 13054 1 19 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.067 0.087 18612 13055 1 19 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.626 -0.246 18612 13056 1 19 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.597 0.243 18612 13057 1 19 . 1 1 32 32 GLU H H 32 7.667 7.667 7.863 -0.196 18612 13058 1 19 . 1 1 33 33 GLU N N 33 120.010 120.010 119.072 0.938 18612 13059 1 19 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.154 0.064 18612 13060 1 19 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.265 -0.885 18612 13061 1 19 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.644 -1.464 18612 13062 1 19 . 1 1 33 33 GLU H H 33 8.156 8.156 8.428 -0.272 18612 13063 1 19 . 1 1 34 34 VAL N N 34 125.322 125.322 117.116 8.206 18612 13064 1 19 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.658 -0.016 18612 13065 1 19 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.500 0.350 18612 13066 1 19 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.705 1.135 18612 13067 1 19 . 1 1 34 34 VAL H H 34 9.243 9.243 8.106 1.137 18612 13068 1 19 . 1 1 35 35 ALA N N 35 123.214 123.214 122.693 0.521 18612 13069 1 19 . 1 1 35 35 ALA HA H 35 4.098 4.098 4.034 0.064 18612 13070 1 19 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.101 0.641 18612 13071 1 19 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.326 -1.077 18612 13072 1 19 . 1 1 35 35 ALA H H 35 8.160 8.160 7.968 0.192 18612 13073 1 19 . 1 1 36 36 LYS N N 36 117.979 117.979 119.795 -1.816 18612 13074 1 19 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.047 -0.052 18612 13075 1 19 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.371 0.429 18612 13076 1 19 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.346 0.516 18612 13077 1 19 . 1 1 36 36 LYS H H 36 7.607 7.607 7.591 0.016 18612 13078 1 19 . 1 1 37 37 LEU N N 37 120.957 120.957 119.404 1.553 18612 13079 1 19 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.099 -0.096 18612 13080 1 19 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.468 0.042 18612 13081 1 19 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.235 0.795 18612 13082 1 19 . 1 1 37 37 LEU H H 37 7.762 7.762 8.311 -0.549 18612 13083 1 19 . 1 1 38 38 LEU N N 38 118.910 118.910 120.884 -1.974 18612 13084 1 19 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.908 0.068 18612 13085 1 19 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.473 -0.203 18612 13086 1 19 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.112 -0.154 18612 13087 1 19 . 1 1 38 38 LEU H H 38 8.636 8.636 7.745 0.891 18612 13088 1 19 . 1 1 39 39 LYS N N 39 120.804 120.804 119.017 1.787 18612 13089 1 19 . 1 1 39 39 LYS HA H 39 4.080 4.080 3.952 0.128 18612 13090 1 19 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.685 -0.234 18612 13091 1 19 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.255 0.403 18612 13092 1 19 . 1 1 39 39 LYS H H 39 7.864 7.864 7.677 0.187 18612 13093 1 19 . 1 1 40 40 LEU N N 40 120.940 120.940 120.118 0.822 18612 13094 1 19 . 1 1 40 40 LEU HA H 40 4.110 4.110 3.932 0.178 18612 13095 1 19 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.246 -0.306 18612 13096 1 19 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.657 1.429 18612 13097 1 19 . 1 1 40 40 LEU H H 40 7.831 7.831 7.809 0.022 18612 13098 1 19 . 1 1 41 41 LYS N N 41 117.563 117.563 118.703 -1.140 18612 13099 1 19 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.950 -0.100 18612 13100 1 19 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.377 0.703 18612 13101 1 19 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.922 0.581 18612 13102 1 19 . 1 1 41 41 LYS H H 41 8.493 8.493 8.087 0.406 18612 13103 1 19 . 1 1 42 42 ALA N N 42 121.396 121.396 120.938 0.458 18612 13104 1 19 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.249 -0.060 18612 13105 1 19 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.319 -0.039 18612 13106 1 19 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.295 -0.395 18612 13107 1 19 . 1 1 42 42 ALA H H 42 7.918 7.918 7.663 0.255 18612 13108 1 19 . 1 1 43 43 GLN N N 43 116.883 116.883 118.676 -1.793 18612 13109 1 19 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.112 0.024 18612 13110 1 19 . 1 1 43 43 GLN CA C 43 57.410 57.410 57.788 -0.378 18612 13111 1 19 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.556 1.024 18612 13112 1 19 . 1 1 43 43 GLN H H 43 7.591 7.591 7.880 -0.289 18612 13113 1 19 . 1 1 44 44 LEU N N 44 119.828 119.828 117.927 1.901 18612 13114 1 19 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.051 0.157 18612 13115 1 19 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.667 -0.590 18612 13116 1 19 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.477 -0.050 18612 13117 1 19 . 1 1 44 44 LEU H H 44 7.574 7.574 7.689 -0.115 18612 13118 1 19 . 1 1 45 45 GLY N N 45 106.906 106.906 105.547 1.359 18612 13119 1 19 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.002 0.522 18612 13120 1 19 . 1 1 45 45 GLY H H 45 7.687 7.687 7.570 0.117 18612 13121 1 19 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.578 -0.131 18612 13122 1 19 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.591 0.519 18612 13123 1 19 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.469 -0.039 18612 13124 1 19 . 1 1 47 47 ASP N N 47 121.060 121.060 124.384 -3.324 18612 13125 1 19 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.858 -0.280 18612 13126 1 19 . 1 1 47 47 ASP CA C 47 54.482 54.482 53.504 0.978 18612 13127 1 19 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.270 -1.267 18612 13128 1 19 . 1 1 47 47 ASP H H 47 8.446 8.446 8.566 -0.120 18612 13129 1 19 . 1 1 48 48 GLU N N 48 123.347 123.347 121.563 1.784 18612 13130 1 19 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.684 -0.440 18612 13131 1 19 . 1 1 48 48 GLU CA C 48 56.930 56.930 56.080 0.850 18612 13132 1 19 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.947 -0.400 18612 13133 1 19 . 1 1 48 48 GLU H H 48 8.577 8.577 8.568 0.009 18612 13134 1 19 . 1 1 49 49 SER N N 49 116.751 116.751 117.199 -0.448 18612 13135 1 19 . 1 1 49 49 SER HA H 49 4.349 4.349 4.123 0.226 18612 13136 1 19 . 1 1 49 49 SER CA C 49 59.380 59.380 60.544 -1.163 18612 13137 1 19 . 1 1 49 49 SER CB C 49 63.460 63.460 62.846 0.614 18612 13138 1 19 . 1 1 49 49 SER H H 49 8.399 8.399 8.298 0.101 18612 13139 1 19 . 1 1 50 50 LYS N N 50 121.935 121.935 122.021 -0.086 18612 13140 1 19 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.057 0.384 18612 13141 1 19 . 1 1 50 50 LYS CA C 50 56.520 56.520 58.474 -1.954 18612 13142 1 19 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.839 -2.384 18612 13143 1 19 . 1 1 50 50 LYS H H 50 8.058 8.058 7.762 0.296 18612 13144 1 19 . 1 1 51 51 GLN N N 51 122.155 122.155 116.352 5.803 18612 13145 1 19 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.491 -0.288 18612 13146 1 19 . 1 1 51 51 GLN CA C 51 57.209 57.209 54.970 2.239 18612 13147 1 19 . 1 1 51 51 GLN CB C 51 30.788 30.788 32.463 -1.675 18612 13148 1 19 . 1 1 51 51 GLN H H 51 8.273 8.273 8.226 0.047 18612 13149 1 19 . 1 1 52 52 LYS N N 52 122.761 122.761 121.218 1.543 18612 13150 1 19 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.235 0.080 18612 13151 1 19 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.747 0.733 18612 13152 1 19 . 1 1 52 52 LYS CB C 52 32.922 32.922 32.959 -0.037 18612 13153 1 19 . 1 1 52 52 LYS H H 52 8.251 8.251 8.411 -0.160 18612 13154 1 19 . 1 1 53 53 PHE N N 53 121.326 121.326 117.866 3.460 18612 13155 1 19 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.399 0.245 18612 13156 1 19 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.926 -0.286 18612 13157 1 19 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.370 1.218 18612 13158 1 19 . 1 1 53 53 PHE H H 53 8.153 8.153 7.508 0.645 18612 13159 1 19 . 1 1 54 54 VAL N N 54 122.941 122.941 120.473 2.468 18612 13160 1 19 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.072 -0.029 18612 13161 1 19 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.556 -0.576 18612 13162 1 19 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.264 0.917 18612 13163 1 19 . 1 1 54 54 VAL H H 54 7.960 7.960 7.109 0.851 18612 13164 1 19 . 1 1 55 55 LEU N N 55 126.751 126.751 125.162 1.589 18612 13165 1 19 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.495 -0.182 18612 13166 1 19 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.953 0.107 18612 13167 1 19 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.326 -0.011 18612 13168 1 19 . 1 1 55 55 LEU H H 55 8.226 8.226 8.218 0.008 18612 13169 1 19 . 1 1 56 56 LYS N N 56 123.614 123.614 120.631 2.983 18612 13170 1 19 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.089 0.283 18612 13171 1 19 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.806 -0.894 18612 13172 1 19 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.074 0.117 18612 13173 1 19 . 1 1 56 56 LYS H H 56 8.320 8.320 8.382 -0.062 18612 13174 1 19 . 1 1 57 57 THR N N 57 115.794 115.794 115.363 0.431 18612 13175 1 19 . 1 1 57 57 THR HA H 57 4.349 4.349 4.672 -0.323 18612 13176 1 19 . 1 1 57 57 THR CA C 57 58.960 58.960 59.712 -0.752 18612 13177 1 19 . 1 1 57 57 THR CB C 57 70.740 70.740 69.369 1.371 18612 13178 1 19 . 1 1 57 57 THR H H 57 7.892 7.892 8.169 -0.277 18612 13179 1 19 . 1 1 59 59 LYS N N 59 121.755 121.755 119.081 2.674 18612 13180 1 19 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.422 -0.195 18612 13181 1 19 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.455 0.066 18612 13182 1 19 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.377 -0.283 18612 13183 1 19 . 1 1 59 59 LYS H H 59 8.300 8.300 8.457 -0.157 18612 13184 1 19 . 1 1 60 60 ALA N N 60 125.263 125.263 127.969 -2.706 18612 13185 1 19 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.401 -0.123 18612 13186 1 19 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.296 0.568 18612 13187 1 19 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.013 -0.033 18612 13188 1 19 . 1 1 60 60 ALA H H 60 8.290 8.290 8.347 -0.057 18612 13189 1 19 . 1 1 61 61 LEU N N 61 121.255 121.255 122.385 -1.130 18612 13190 1 19 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.302 -0.022 18612 13191 1 19 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.624 -0.039 18612 13192 1 19 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.663 -0.419 18612 13193 1 19 . 1 1 61 61 LEU H H 61 8.144 8.144 7.794 0.350 18612 13194 1 19 . 1 1 62 62 GLU N N 62 121.401 121.401 121.372 0.029 18612 13195 1 19 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.505 -0.229 18612 13196 1 19 . 1 1 62 62 GLU CA C 62 56.930 56.930 55.164 1.766 18612 13197 1 19 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.682 -0.447 18612 13198 1 19 . 1 1 62 62 GLU H H 62 8.266 8.266 8.080 0.186 18612 13199 1 19 . 1 1 64 64 LYS N N 64 120.575 120.575 121.009 -0.434 18612 13200 1 19 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.452 -0.208 18612 13201 1 19 . 1 1 64 64 LYS CA C 64 56.085 56.085 55.886 0.199 18612 13202 1 19 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.445 -3.975 18612 13203 1 19 . 1 1 64 64 LYS H H 64 8.106 8.106 8.316 -0.210 18612 13204 1 19 . 1 1 65 65 ILE N N 65 122.492 122.492 119.914 2.578 18612 13205 1 19 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.236 -0.096 18612 13206 1 19 . 1 1 65 65 ILE CA C 65 61.180 61.180 60.971 0.209 18612 13207 1 19 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.697 -1.147 18612 13208 1 19 . 1 1 65 65 ILE H H 65 8.135 8.135 8.338 -0.203 18612 13209 1 19 . 1 1 66 66 ARG N N 66 125.714 125.714 126.506 -0.792 18612 13210 1 19 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.520 -0.052 18612 13211 1 19 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.023 1.044 18612 13212 1 19 . 1 1 66 66 ARG CB C 66 31.026 31.026 28.437 2.589 18612 13213 1 19 . 1 1 66 66 ARG H H 66 8.402 8.402 8.516 -0.114 18612 13214 1 19 . 1 1 67 67 THR N N 67 115.622 115.622 115.917 -0.295 18612 13215 1 19 . 1 1 67 67 THR HA H 67 4.445 4.445 4.383 0.062 18612 13216 1 19 . 1 1 67 67 THR CA C 67 61.650 61.650 62.521 -0.871 18612 13217 1 19 . 1 1 67 67 THR CB C 67 69.620 69.620 69.577 0.043 18612 13218 1 19 . 1 1 67 67 THR H H 67 8.281 8.281 7.902 0.379 18612 13219 1 19 . 1 1 68 68 THR N N 68 116.774 116.774 116.891 -0.117 18612 13220 1 19 . 1 1 68 68 THR HA H 68 4.503 4.503 4.351 0.152 18612 13221 1 19 . 1 1 68 68 THR CA C 68 61.050 61.050 63.672 -2.622 18612 13222 1 19 . 1 1 68 68 THR CB C 68 69.210 69.210 69.046 0.164 18612 13223 1 19 . 1 1 68 68 THR H H 68 8.076 8.076 8.614 -0.538 18612 13224 1 19 . 1 1 69 69 GLU N N 69 124.048 124.048 120.536 3.512 18612 13225 1 19 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.501 -0.125 18612 13226 1 19 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.852 -0.452 18612 13227 1 19 . 1 1 69 69 GLU CB C 69 30.618 30.618 31.392 -0.773 18612 13228 1 19 . 1 1 69 69 GLU H H 69 8.515 8.515 8.477 0.038 18612 13229 1 19 . 1 1 70 70 THR N N 70 118.988 118.988 114.184 4.804 18612 13230 1 19 . 1 1 70 70 THR HA H 70 3.741 3.741 4.670 -0.929 18612 13231 1 19 . 1 1 70 70 THR CA C 70 64.680 64.680 62.212 2.468 18612 13232 1 19 . 1 1 70 70 THR CB C 70 68.770 68.770 69.499 -0.730 18612 13233 1 19 . 1 1 70 70 THR H H 70 8.259 8.259 7.849 0.410 18612 13234 1 19 . 1 1 71 71 GLN N N 71 125.858 125.858 127.749 -1.891 18612 13235 1 19 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.342 -0.048 18612 13236 1 19 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.685 -1.286 18612 13237 1 19 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.324 1.747 18612 13238 1 19 . 1 1 71 71 GLN H H 71 8.795 8.795 8.787 0.008 18612 13239 1 19 . 1 1 72 72 VAL N N 72 113.505 113.505 110.375 3.130 18612 13240 1 19 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.996 -0.098 18612 13241 1 19 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.313 -0.693 18612 13242 1 19 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.439 -0.035 18612 13243 1 19 . 1 1 72 72 VAL H H 72 7.325 7.325 7.347 -0.022 18612 13244 1 19 . 1 1 73 73 LEU N N 73 128.725 128.725 120.626 8.099 18612 13245 1 19 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.742 0.350 18612 13246 1 19 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.998 -1.258 18612 13247 1 19 . 1 1 73 73 LEU CB C 73 45.081 45.081 46.756 -1.675 18612 13248 1 19 . 1 1 73 73 LEU H H 73 8.170 8.170 7.913 0.257 18612 13249 1 19 . 1 1 74 74 VAL N N 74 127.634 127.634 120.769 6.865 18612 13250 1 19 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.917 -0.151 18612 13251 1 19 . 1 1 74 74 VAL CA C 74 62.090 62.090 59.731 2.359 18612 13252 1 19 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.466 -0.776 18612 13253 1 19 . 1 1 74 74 VAL H H 74 8.913 8.913 8.412 0.501 18612 13254 1 19 . 1 1 75 75 ALA N N 75 132.602 132.602 128.994 3.608 18612 13255 1 19 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.531 0.276 18612 13256 1 19 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.496 0.404 18612 13257 1 19 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.312 1.608 18612 13258 1 19 . 1 1 75 75 ALA H H 75 9.421 9.421 9.037 0.384 18612 13259 1 19 . 1 1 76 76 SER N N 76 111.274 111.274 113.644 -2.370 18612 13260 1 19 . 1 1 76 76 SER HA H 76 4.951 4.951 4.981 -0.030 18612 13261 1 19 . 1 1 76 76 SER CA C 76 56.940 56.940 56.610 0.330 18612 13262 1 19 . 1 1 76 76 SER CB C 76 65.960 65.960 65.460 0.500 18612 13263 1 19 . 1 1 76 76 SER H H 76 8.106 8.106 8.340 -0.234 18612 13264 1 19 . 1 1 77 77 ALA N N 77 125.393 125.393 126.007 -0.614 18612 13265 1 19 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.408 0.053 18612 13266 1 19 . 1 1 77 77 ALA CA C 77 52.754 52.754 53.045 -0.291 18612 13267 1 19 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.724 0.016 18612 13268 1 19 . 1 1 77 77 ALA H H 77 9.004 9.004 8.528 0.476 18612 13269 1 19 . 1 1 78 78 GLN N N 78 116.290 116.290 117.747 -1.457 18612 13270 1 19 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.252 0.191 18612 13271 1 19 . 1 1 78 78 GLN CA C 78 56.630 56.630 57.367 -0.737 18612 13272 1 19 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.544 1.009 18612 13273 1 19 . 1 1 78 78 GLN H H 78 7.985 7.985 8.266 -0.281 18612 13274 1 19 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.398 0.165 18612 13275 1 19 . 1 1 81 81 LEU CA C 81 47.000 47.000 55.576 -8.576 18612 13276 1 19 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.704 -1.683 18612 13277 1 19 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.336 0.462 18612 13278 1 19 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.003 -0.097 18612 13279 1 19 . 1 1 85 85 ARG N N 85 119.948 119.948 118.257 1.691 18612 13280 1 19 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.036 -0.165 18612 13281 1 19 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.245 1.435 18612 13282 1 19 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.665 2.256 18612 13283 1 19 . 1 1 85 85 ARG H H 85 8.229 8.229 8.261 -0.032 18612 13284 1 19 . 1 1 86 86 LEU N N 86 120.227 120.227 120.711 -0.484 18612 13285 1 19 . 1 1 86 86 LEU HA H 86 3.826 3.826 4.007 -0.181 18612 13286 1 19 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.492 -0.302 18612 13287 1 19 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.725 -0.137 18612 13288 1 19 . 1 1 86 86 LEU H H 86 8.459 8.459 8.711 -0.252 18612 13289 1 19 . 1 1 87 87 LYS N N 87 120.470 120.470 119.663 0.807 18612 13290 1 19 . 1 1 87 87 LYS HA H 87 4.021 4.021 3.995 0.026 18612 13291 1 19 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.051 0.329 18612 13292 1 19 . 1 1 87 87 LYS CB C 87 32.898 32.898 31.937 0.961 18612 13293 1 19 . 1 1 87 87 LYS H H 87 7.945 7.945 7.747 0.198 18612 13294 1 19 . 1 1 88 88 LEU N N 88 119.799 119.799 120.260 -0.461 18612 13295 1 19 . 1 1 88 88 LEU HA H 88 4.207 4.207 3.996 0.211 18612 13296 1 19 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.530 -0.850 18612 13297 1 19 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.099 -0.874 18612 13298 1 19 . 1 1 88 88 LEU H H 88 7.547 7.547 7.880 -0.333 18612 13299 1 19 . 1 1 89 89 VAL N N 89 118.828 118.828 118.834 -0.006 18612 13300 1 19 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.480 -0.162 18612 13301 1 19 . 1 1 89 89 VAL CA C 89 67.750 67.750 67.344 0.406 18612 13302 1 19 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.302 0.076 18612 13303 1 19 . 1 1 89 89 VAL H H 89 8.347 8.347 8.035 0.312 18612 13304 1 19 . 1 1 90 90 SER N N 90 114.835 114.835 116.107 -1.272 18612 13305 1 19 . 1 1 90 90 SER HA H 90 4.207 4.207 4.103 0.104 18612 13306 1 19 . 1 1 90 90 SER CA C 90 62.000 62.000 62.427 -0.427 18612 13307 1 19 . 1 1 90 90 SER CB C 90 62.770 62.770 62.630 0.140 18612 13308 1 19 . 1 1 90 90 SER H H 90 7.942 7.942 7.877 0.065 18612 13309 1 19 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.007 0.036 18612 13310 1 19 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.640 -0.200 18612 13311 1 19 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.676 0.558 18612 13312 1 19 . 1 1 92 92 LEU N N 92 119.720 119.720 119.166 0.554 18612 13313 1 19 . 1 1 92 92 LEU HA H 92 3.948 3.948 3.966 -0.019 18612 13314 1 19 . 1 1 92 92 LEU CA C 92 58.120 58.120 57.651 0.469 18612 13315 1 19 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.756 -1.180 18612 13316 1 19 . 1 1 92 92 LEU H H 92 8.379 8.379 8.261 0.118 18612 13317 1 19 . 1 1 93 93 GLN N N 93 120.938 120.938 119.567 1.371 18612 13318 1 19 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.126 0.427 18612 13319 1 19 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.721 0.329 18612 13320 1 19 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.496 -0.516 18612 13321 1 19 . 1 1 93 93 GLN H H 93 8.751 8.751 8.249 0.502 18612 13322 1 19 . 1 1 94 94 ASP N N 94 122.442 122.442 117.983 4.459 18612 13323 1 19 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.526 -0.067 18612 13324 1 19 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.380 0.720 18612 13325 1 19 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.801 -1.540 18612 13326 1 19 . 1 1 94 94 ASP H H 94 8.470 8.470 8.008 0.462 18612 13327 1 19 . 1 1 95 95 ALA N N 95 120.437 120.437 120.633 -0.196 18612 13328 1 19 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.444 0.068 18612 13329 1 19 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.583 -1.838 18612 13330 1 19 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.686 0.334 18612 13331 1 19 . 1 1 95 95 ALA H H 95 7.340 7.340 8.097 -0.757 18612 13332 1 19 . 1 1 96 96 GLY N N 96 106.865 106.865 105.147 1.718 18612 13333 1 19 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.919 0.371 18612 13334 1 19 . 1 1 96 96 GLY H H 96 7.987 7.987 7.947 0.040 18612 13335 1 19 . 1 1 97 97 ILE N N 97 122.489 122.489 115.618 6.871 18612 13336 1 19 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.494 -0.240 18612 13337 1 19 . 1 1 97 97 ILE CA C 97 58.650 58.650 57.943 0.707 18612 13338 1 19 . 1 1 97 97 ILE CB C 97 37.973 37.973 40.962 -2.989 18612 13339 1 19 . 1 1 97 97 ILE H H 97 8.062 8.062 7.868 0.194 18612 13340 1 19 . 1 1 98 98 LYS N N 98 127.459 127.459 123.219 4.240 18612 13341 1 19 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.326 0.181 18612 13342 1 19 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.375 0.546 18612 13343 1 19 . 1 1 98 98 LYS CB C 98 31.434 31.434 32.222 -0.788 18612 13344 1 19 . 1 1 98 98 LYS H H 98 8.574 8.574 8.030 0.544 18612 13345 1 19 . 1 1 99 99 ALA N N 99 130.423 130.423 129.555 0.868 18612 13346 1 19 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.631 1.133 18612 13347 1 19 . 1 1 99 99 ALA CA C 99 49.211 49.211 51.931 -2.720 18612 13348 1 19 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.852 5.018 18612 13349 1 19 . 1 1 99 99 ALA H H 99 7.813 7.813 8.353 -0.540 18612 13350 1 19 . 1 1 100 100 GLU N N 100 118.988 118.988 123.973 -4.985 18612 13351 1 19 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.732 0.103 18612 13352 1 19 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.803 -0.097 18612 13353 1 19 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.036 2.885 18612 13354 1 19 . 1 1 100 100 GLU H H 100 8.226 8.226 8.478 -0.252 18612 13355 1 19 . 1 1 101 101 LEU N N 101 120.024 120.024 119.558 0.466 18612 13356 1 19 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.617 0.097 18612 13357 1 19 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.484 0.276 18612 13358 1 19 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.728 0.356 18612 13359 1 19 . 1 1 101 101 LEU H H 101 8.478 8.478 8.400 0.078 18612 13360 1 19 . 1 1 102 102 LEU N N 102 118.623 118.623 124.123 -5.500 18612 13361 1 19 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.504 -0.470 18612 13362 1 19 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.592 4.868 18612 13363 1 19 . 1 1 102 102 LEU CB C 102 41.225 41.225 45.352 -4.128 18612 13364 1 19 . 1 1 102 102 LEU H H 102 8.763 8.763 7.711 1.052 18612 13365 1 19 . 1 1 103 103 TYR N N 103 115.970 115.970 112.313 3.657 18612 13366 1 19 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.561 0.021 18612 13367 1 19 . 1 1 103 103 TYR CA C 103 55.973 55.973 56.453 -0.480 18612 13368 1 19 . 1 1 103 103 TYR CB C 103 38.732 38.732 38.605 0.127 18612 13369 1 19 . 1 1 103 103 TYR H H 103 7.378 7.378 7.720 -0.342 18612 13370 1 19 . 1 1 104 104 LYS N N 104 120.577 120.577 122.586 -2.009 18612 13371 1 19 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.230 -0.091 18612 13372 1 19 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.041 0.438 18612 13373 1 19 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.246 -0.324 18612 13374 1 19 . 1 1 104 104 LYS H H 104 7.906 7.906 7.791 0.115 18612 13375 1 19 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.911 0.118 18612 13376 1 19 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.028 -0.029 18612 13377 1 19 . 1 1 113 113 LEU N N 113 120.147 120.147 119.476 0.671 18612 13378 1 19 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.190 -0.207 18612 13379 1 19 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.503 -0.083 18612 13380 1 19 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.179 -0.586 18612 13381 1 19 . 1 1 113 113 LEU H H 113 8.365 8.365 8.750 -0.385 18612 13382 1 19 . 1 1 114 114 GLN N N 114 119.995 119.995 118.660 1.335 18612 13383 1 19 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.025 0.012 18612 13384 1 19 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.889 0.081 18612 13385 1 19 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.061 0.129 18612 13386 1 19 . 1 1 114 114 GLN H H 114 8.126 8.126 8.001 0.125 18612 13387 1 19 . 1 1 115 115 TYR N N 115 120.358 120.358 119.940 0.418 18612 13388 1 19 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.235 0.060 18612 13389 1 19 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.580 -0.550 18612 13390 1 19 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.556 -0.787 18612 13391 1 19 . 1 1 115 115 TYR H H 115 7.819 7.819 7.988 -0.169 18612 13392 1 19 . 1 1 116 116 CYS N N 116 116.264 116.264 117.552 -1.288 18612 13393 1 19 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.053 -0.237 18612 13394 1 19 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.113 2.117 18612 13395 1 19 . 1 1 116 116 CYS CB C 116 27.320 27.320 28.284 -0.964 18612 13396 1 19 . 1 1 116 116 CYS H H 116 7.710 7.710 8.702 -0.992 18612 13397 1 19 . 1 1 117 117 GLU N N 117 119.526 119.526 119.549 -0.023 18612 13398 1 19 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.090 -0.242 18612 13399 1 19 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.085 0.065 18612 13400 1 19 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.713 -0.013 18612 13401 1 19 . 1 1 117 117 GLU H H 117 7.912 7.912 8.323 -0.411 18612 13402 1 19 . 1 1 118 118 GLU N N 118 119.875 119.875 117.707 2.168 18612 13403 1 19 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.134 -0.165 18612 13404 1 19 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.462 0.318 18612 13405 1 19 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.616 0.194 18612 13406 1 19 . 1 1 118 118 GLU H H 118 7.988 7.988 7.855 0.133 18612 13407 1 19 . 1 1 119 119 ALA N N 119 119.118 119.118 120.724 -1.606 18612 13408 1 19 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.243 -0.077 18612 13409 1 19 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.279 -0.625 18612 13410 1 19 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.573 -0.493 18612 13411 1 19 . 1 1 119 119 ALA H H 119 8.137 8.137 7.618 0.519 18612 13412 1 19 . 1 1 120 120 GLY N N 120 106.604 106.604 107.408 -0.804 18612 13413 1 19 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.510 1.867 18612 13414 1 19 . 1 1 120 120 GLY H H 120 7.550 7.550 8.044 -0.494 18612 13415 1 19 . 1 1 121 121 ILE N N 121 124.026 124.026 118.370 5.656 18612 13416 1 19 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.399 -0.388 18612 13417 1 19 . 1 1 121 121 ILE CA C 121 63.050 63.050 61.577 1.473 18612 13418 1 19 . 1 1 121 121 ILE CB C 121 40.051 40.051 35.963 4.088 18612 13419 1 19 . 1 1 121 121 ILE H H 121 7.918 7.918 8.018 -0.100 18612 13420 1 19 . 1 1 123 123 LEU N N 123 119.541 119.541 117.122 2.419 18612 13421 1 19 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.646 0.857 18612 13422 1 19 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.565 0.121 18612 13423 1 19 . 1 1 123 123 LEU CB C 123 47.057 47.057 44.557 2.499 18612 13424 1 19 . 1 1 123 123 LEU H H 123 6.973 6.973 7.814 -0.841 18612 13425 1 19 . 1 1 124 124 VAL N N 124 119.580 119.580 119.584 -0.004 18612 13426 1 19 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.981 0.055 18612 13427 1 19 . 1 1 124 124 VAL CA C 124 59.580 59.580 59.653 -0.073 18612 13428 1 19 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.132 -0.875 18612 13429 1 19 . 1 1 124 124 VAL H H 124 8.823 8.823 8.542 0.281 18612 13430 1 19 . 1 1 125 125 ALA N N 125 130.810 130.810 125.289 5.521 18612 13431 1 19 . 1 1 125 125 ALA HA H 125 5.156 5.156 4.904 0.252 18612 13432 1 19 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.231 -2.036 18612 13433 1 19 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.227 -2.167 18612 13434 1 19 . 1 1 125 125 ALA H H 125 9.083 9.083 8.900 0.183 18612 13435 1 19 . 1 1 126 126 ILE N N 126 124.925 124.925 124.310 0.615 18612 13436 1 19 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.345 0.158 18612 13437 1 19 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.772 0.188 18612 13438 1 19 . 1 1 126 126 ILE CB C 126 39.805 39.805 39.485 0.320 18612 13439 1 19 . 1 1 126 126 ILE H H 126 9.564 9.564 7.644 1.920 18612 13440 1 19 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.318 0.325 18612 13441 1 19 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.974 -1.534 18612 13442 1 19 . 1 1 127 127 ILE CB C 127 41.002 41.002 40.064 0.938 18612 13443 1 19 . 1 1 129 129 GLU N N 129 121.547 121.547 116.708 4.839 18612 13444 1 19 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.214 -0.266 18612 13445 1 19 . 1 1 129 129 GLU CA C 129 60.400 60.400 57.227 3.173 18612 13446 1 19 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.047 1.255 18612 13447 1 19 . 1 1 129 129 GLU H H 129 9.035 9.035 8.060 0.975 18612 13448 1 19 . 1 1 130 130 GLN N N 130 120.221 120.221 119.454 0.767 18612 13449 1 19 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.072 -0.195 18612 13450 1 19 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.327 -0.907 18612 13451 1 19 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.664 -0.264 18612 13452 1 19 . 1 1 130 130 GLN H H 130 8.914 8.914 8.459 0.455 18612 13453 1 19 . 1 1 131 131 GLU N N 131 120.680 120.680 119.403 1.277 18612 13454 1 19 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.190 -0.251 18612 13455 1 19 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.964 2.246 18612 13456 1 19 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.089 -0.919 18612 13457 1 19 . 1 1 131 131 GLU H H 131 8.871 8.871 8.740 0.131 18612 13458 1 19 . 1 1 132 132 LEU N N 132 118.303 118.303 118.245 0.058 18612 13459 1 19 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.177 0.185 18612 13460 1 19 . 1 1 132 132 LEU CA C 132 56.116 56.116 57.699 -1.583 18612 13461 1 19 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.011 0.812 18612 13462 1 19 . 1 1 132 132 LEU H H 132 8.152 8.152 8.293 -0.141 18612 13463 1 19 . 1 1 133 133 LYS N N 133 120.924 120.924 118.037 2.887 18612 13464 1 19 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.119 -0.038 18612 13465 1 19 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.834 0.746 18612 13466 1 19 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.565 -0.093 18612 13467 1 19 . 1 1 133 133 LYS H H 133 7.631 7.631 7.492 0.139 18612 13468 1 19 . 1 1 134 134 ASP N N 134 118.256 118.256 117.388 0.868 18612 13469 1 19 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.616 0.053 18612 13470 1 19 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.624 -0.473 18612 13471 1 19 . 1 1 134 134 ASP CB C 134 41.381 41.381 42.001 -0.620 18612 13472 1 19 . 1 1 134 134 ASP H H 134 7.985 7.985 7.617 0.368 18612 13473 1 19 . 1 1 135 135 GLY N N 135 109.383 109.383 106.471 2.912 18612 13474 1 19 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.552 1.011 18612 13475 1 19 . 1 1 135 135 GLY H H 135 8.019 8.019 8.133 -0.114 18612 13476 1 19 . 1 1 136 136 VAL N N 136 117.112 117.112 120.432 -3.320 18612 13477 1 19 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.051 0.852 18612 13478 1 19 . 1 1 136 136 VAL CA C 136 59.950 59.950 63.365 -3.415 18612 13479 1 19 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.197 2.688 18612 13480 1 19 . 1 1 136 136 VAL H H 136 8.229 8.229 8.241 -0.012 18612 13481 1 19 . 1 1 137 137 ILE N N 137 121.971 121.971 119.073 2.898 18612 13482 1 19 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.271 -0.097 18612 13483 1 19 . 1 1 137 137 ILE CA C 137 58.560 58.560 59.639 -1.079 18612 13484 1 19 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.969 0.820 18612 13485 1 19 . 1 1 137 137 ILE H H 137 8.975 8.975 8.068 0.907 18612 13486 1 19 . 1 1 138 138 LYS N N 138 126.613 126.613 126.597 0.016 18612 13487 1 19 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.166 -0.242 18612 13488 1 19 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.256 1.459 18612 13489 1 19 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.642 -1.425 18612 13490 1 19 . 1 1 138 138 LYS H H 138 7.726 7.726 8.526 -0.800 18612 13491 1 19 . 1 1 139 139 LEU N N 139 129.177 129.177 124.919 4.258 18612 13492 1 19 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.830 0.373 18612 13493 1 19 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.352 -0.062 18612 13494 1 19 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.728 0.032 18612 13495 1 19 . 1 1 139 139 LEU H H 139 9.404 9.404 8.892 0.512 18612 13496 1 19 . 1 1 140 140 ARG N N 140 128.243 128.243 126.823 1.420 18612 13497 1 19 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.592 0.670 18612 13498 1 19 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.699 -2.014 18612 13499 1 19 . 1 1 140 140 ARG CB C 140 27.990 27.990 30.884 -2.894 18612 13500 1 19 . 1 1 140 140 ARG H H 140 9.540 9.540 8.416 1.124 18612 13501 1 19 . 1 1 142 142 VAL N N 142 129.670 129.670 121.811 7.859 18612 13502 1 19 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.774 -0.227 18612 13503 1 19 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.468 0.482 18612 13504 1 19 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.031 1.657 18612 13505 1 19 . 1 1 142 142 VAL H H 142 8.336 8.336 8.041 0.295 18612 13506 1 19 . 1 1 143 143 THR N N 143 111.061 111.061 113.598 -2.537 18612 13507 1 19 . 1 1 143 143 THR HA H 143 4.157 4.157 4.166 -0.009 18612 13508 1 19 . 1 1 143 143 THR CA C 143 69.400 69.400 64.332 5.068 18612 13509 1 19 . 1 1 143 143 THR CB C 143 70.020 70.020 68.886 1.134 18612 13510 1 19 . 1 1 143 143 THR H H 143 8.248 8.248 7.823 0.425 18612 13511 1 19 . 1 1 144 144 SER N N 144 115.158 115.158 115.961 -0.803 18612 13512 1 19 . 1 1 144 144 SER HA H 144 4.514 4.514 4.366 0.148 18612 13513 1 19 . 1 1 144 144 SER CA C 144 58.370 58.370 60.675 -2.305 18612 13514 1 19 . 1 1 144 144 SER CB C 144 64.500 64.500 63.694 0.806 18612 13515 1 19 . 1 1 144 144 SER H H 144 7.812 7.812 8.270 -0.458 18612 13516 1 19 . 1 1 145 145 ARG N N 145 116.527 116.527 119.578 -3.051 18612 13517 1 19 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.507 -0.681 18612 13518 1 19 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.140 2.160 18612 13519 1 19 . 1 1 145 145 ARG CB C 145 28.200 28.200 31.819 -3.619 18612 13520 1 19 . 1 1 145 145 ARG H H 145 7.836 7.836 7.929 -0.093 18612 13521 1 19 . 1 1 146 146 GLU N N 146 119.889 119.889 115.570 4.319 18612 13522 1 19 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.393 -0.124 18612 13523 1 19 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.875 0.055 18612 13524 1 19 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.574 -0.936 18612 13525 1 19 . 1 1 146 146 GLU H H 146 7.675 7.675 8.431 -0.756 18612 13526 1 19 . 1 1 147 147 GLU N N 147 124.286 124.286 119.312 4.974 18612 13527 1 19 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.909 0.410 18612 13528 1 19 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.554 -0.619 18612 13529 1 19 . 1 1 147 147 GLU CB C 147 33.740 33.740 33.238 0.502 18612 13530 1 19 . 1 1 147 147 GLU H H 147 8.602 8.602 8.148 0.454 18612 13531 1 19 . 1 1 148 148 VAL N N 148 120.587 120.587 123.013 -2.426 18612 13532 1 19 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.484 0.050 18612 13533 1 19 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.725 -0.065 18612 13534 1 19 . 1 1 148 148 VAL CB C 148 35.690 35.690 36.250 -0.560 18612 13535 1 19 . 1 1 148 148 VAL H H 148 8.536 8.536 8.180 0.356 18612 13536 1 19 . 1 1 149 149 ASP N N 149 125.031 125.031 125.879 -0.848 18612 13537 1 19 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.981 0.173 18612 13538 1 19 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.341 0.572 18612 13539 1 19 . 1 1 149 149 ASP CB C 149 40.781 40.781 42.067 -1.286 18612 13540 1 19 . 1 1 149 149 ASP H H 149 8.411 8.411 8.277 0.134 18612 13541 1 19 . 1 1 150 150 VAL N N 150 123.264 123.264 120.892 2.372 18612 13542 1 19 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.713 -0.313 18612 13543 1 19 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.249 0.391 18612 13544 1 19 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.755 -0.730 18612 13545 1 19 . 1 1 150 150 VAL H H 150 9.061 9.061 8.908 0.153 18612 13546 1 19 . 1 1 151 151 ARG N N 151 125.112 125.112 120.049 5.063 18612 13547 1 19 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.659 -0.251 18612 13548 1 19 . 1 1 151 151 ARG CA C 151 57.110 57.110 55.135 1.975 18612 13549 1 19 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.358 -0.468 18612 13550 1 19 . 1 1 151 151 ARG H H 151 9.048 9.048 8.571 0.477 18612 13551 1 19 . 1 1 152 152 ARG N N 152 124.828 124.828 118.457 6.371 18612 13552 1 19 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.827 -0.161 18612 13553 1 19 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.862 0.168 18612 13554 1 19 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.253 1.757 18612 13555 1 19 . 1 1 152 152 ARG H H 152 8.582 8.582 8.561 0.021 18612 13556 1 19 . 1 1 153 153 GLU N N 153 116.730 116.730 118.642 -1.912 18612 13557 1 19 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.032 0.168 18612 13558 1 19 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.616 -0.646 18612 13559 1 19 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.326 -0.746 18612 13560 1 19 . 1 1 153 153 GLU H H 153 9.924 9.924 8.029 1.895 18612 13561 1 19 . 1 1 154 154 ASP N N 154 119.318 119.318 118.516 0.802 18612 13562 1 19 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.484 0.534 18612 13563 1 19 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.487 -2.095 18612 13564 1 19 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.276 2.014 18612 13565 1 19 . 1 1 154 154 ASP H H 154 7.758 7.758 8.672 -0.914 18612 13566 1 19 . 1 1 155 155 LEU N N 155 121.863 121.863 120.925 0.938 18612 13567 1 19 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.144 -0.329 18612 13568 1 19 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.955 1.215 18612 13569 1 19 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.597 1.031 18612 13570 1 19 . 1 1 155 155 LEU H H 155 7.315 7.315 7.664 -0.349 18612 13571 1 19 . 1 1 156 156 VAL N N 156 118.555 118.555 117.645 0.910 18612 13572 1 19 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.693 -0.438 18612 13573 1 19 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.533 1.127 18612 13574 1 19 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.053 0.177 18612 13575 1 19 . 1 1 156 156 VAL H H 156 8.490 8.490 7.888 0.602 18612 13576 1 19 . 1 1 157 157 GLU N N 157 118.568 118.568 119.781 -1.213 18612 13577 1 19 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.010 -0.100 18612 13578 1 19 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.833 -0.413 18612 13579 1 19 . 1 1 157 157 GLU H H 157 8.138 8.138 7.983 0.155 18612 13580 1 19 . 1 1 158 158 GLU N N 158 118.484 118.484 120.160 -1.676 18612 13581 1 19 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.093 0.047 18612 13582 1 19 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.495 -2.204 18612 13583 1 19 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.917 -0.443 18612 13584 1 19 . 1 1 158 158 GLU H H 158 8.138 8.138 8.197 -0.059 18612 13585 1 19 . 1 1 159 159 ILE N N 159 119.508 119.508 116.759 2.749 18612 13586 1 19 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.770 -0.342 18612 13587 1 19 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.013 0.877 18612 13588 1 19 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.463 -7.463 18612 13589 1 19 . 1 1 159 159 ILE H H 159 8.482 8.482 7.788 0.694 18612 13590 1 19 . 1 1 160 160 LYS N N 160 121.513 121.513 119.818 1.695 18612 13591 1 19 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.984 -0.206 18612 13592 1 19 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.502 1.348 18612 13593 1 19 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.088 0.162 18612 13594 1 19 . 1 1 160 160 LYS H H 160 8.424 8.424 8.048 0.376 18612 13595 1 19 . 1 1 161 161 ARG N N 161 118.966 118.966 118.239 0.727 18612 13596 1 19 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.093 -0.024 18612 13597 1 19 . 1 1 161 161 ARG CA C 161 59.330 59.330 59.110 0.220 18612 13598 1 19 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.224 0.668 18612 13599 1 19 . 1 1 161 161 ARG H H 161 8.248 8.248 7.683 0.565 18612 13600 1 19 . 1 1 162 162 ARG N N 162 117.033 117.033 118.468 -1.435 18612 13601 1 19 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.225 0.017 18612 13602 1 19 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.571 -0.513 18612 13603 1 19 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.744 1.046 18612 13604 1 19 . 1 1 162 162 ARG H H 162 7.811 7.811 8.171 -0.360 18612 13605 1 19 . 1 1 163 163 THR N N 163 108.588 108.588 113.542 -4.954 18612 13606 1 19 . 1 1 163 163 THR HA H 163 4.549 4.549 4.426 0.123 18612 13607 1 19 . 1 1 163 163 THR CA C 163 61.820 61.820 62.608 -0.788 18612 13608 1 19 . 1 1 163 163 THR CB C 163 70.020 70.020 68.916 1.104 18612 13609 1 19 . 1 1 163 163 THR H H 163 7.831 7.831 8.137 -0.306 18612 13610 1 19 . 1 1 164 164 GLY N N 164 110.640 110.640 110.215 0.425 18612 13611 1 19 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.066 0.647 18612 13612 1 19 . 1 1 164 164 GLY H H 164 7.847 7.847 7.210 0.637 18612 13613 1 19 . 1 1 165 165 GLN N N 165 120.993 120.993 122.680 -1.687 18612 13614 1 19 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.731 -0.789 18612 13615 1 19 . 1 1 165 165 GLN CA C 165 56.077 56.077 53.242 2.835 18612 13616 1 19 . 1 1 165 165 GLN CB C 165 29.569 29.569 30.404 -0.835 18612 13617 1 19 . 1 1 165 165 GLN H H 165 8.141 8.141 8.287 -0.146 18612 13618 1 19 . 1 1 167 167 LEU N N 167 122.540 122.540 121.497 1.043 18612 13619 1 19 . 1 1 167 167 LEU H H 167 8.370 8.370 7.659 0.711 18612 13620 1 19 . 1 1 168 168 SER N N 168 116.635 116.635 116.112 0.523 18612 13621 1 19 . 1 1 168 168 SER H H 168 8.269 8.269 8.298 -0.029 18612 13622 1 19 . 1 1 169 169 ILE N N 169 122.767 122.767 124.201 -1.434 18612 13623 1 19 . 1 1 169 169 ILE H H 169 8.165 8.165 8.420 -0.255 18612 13624 1 20 . 1 1 2 2 GLU N N 2 120.329 120.329 121.368 -1.039 18612 13625 1 20 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.386 -0.244 18612 13626 1 20 . 1 1 2 2 GLU CA C 2 59.070 59.070 56.356 2.714 18612 13627 1 20 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.597 -1.097 18612 13628 1 20 . 1 1 2 2 GLU H H 2 8.498 8.498 8.475 0.024 18612 13629 1 20 . 1 1 3 3 ARG N N 3 121.547 121.547 120.696 0.851 18612 13630 1 20 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.036 -0.012 18612 13631 1 20 . 1 1 3 3 ARG CA C 3 59.240 59.240 58.822 0.418 18612 13632 1 20 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.555 0.395 18612 13633 1 20 . 1 1 3 3 ARG H H 3 8.238 8.238 8.545 -0.307 18612 13634 1 20 . 1 1 4 4 ALA N N 4 121.449 121.449 121.300 0.149 18612 13635 1 20 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.243 -0.040 18612 13636 1 20 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.309 -0.270 18612 13637 1 20 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.107 -0.197 18612 13638 1 20 . 1 1 4 4 ALA H H 4 8.068 8.068 8.308 -0.240 18612 13639 1 20 . 1 1 5 5 ALA N N 5 121.000 121.000 120.758 0.242 18612 13640 1 20 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.106 0.112 18612 13641 1 20 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.676 0.067 18612 13642 1 20 . 1 1 5 5 ALA CB C 5 18.410 18.410 17.999 0.411 18612 13643 1 20 . 1 1 5 5 ALA H H 5 7.831 7.831 7.992 -0.161 18612 13644 1 20 . 1 1 6 6 LEU N N 6 121.402 121.402 119.949 1.453 18612 13645 1 20 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.902 0.259 18612 13646 1 20 . 1 1 6 6 LEU CA C 6 57.950 57.950 57.741 0.209 18612 13647 1 20 . 1 1 6 6 LEU CB C 6 42.041 42.041 40.970 1.071 18612 13648 1 20 . 1 1 6 6 LEU H H 6 7.919 7.919 7.824 0.095 18612 13649 1 20 . 1 1 7 7 GLU N N 7 119.203 119.203 118.383 0.820 18612 13650 1 20 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.870 -0.012 18612 13651 1 20 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.087 0.144 18612 13652 1 20 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.302 0.238 18612 13653 1 20 . 1 1 7 7 GLU H H 7 8.706 8.706 8.661 0.045 18612 13654 1 20 . 1 1 8 8 GLU N N 8 120.194 120.194 120.362 -0.168 18612 13655 1 20 . 1 1 8 8 GLU HA H 8 4.195 4.195 3.981 0.214 18612 13656 1 20 . 1 1 8 8 GLU CA C 8 59.170 59.170 59.522 -0.352 18612 13657 1 20 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.451 0.009 18612 13658 1 20 . 1 1 8 8 GLU H H 8 7.761 7.761 7.808 -0.047 18612 13659 1 20 . 1 1 9 9 LEU N N 9 120.526 120.526 119.868 0.658 18612 13660 1 20 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.016 0.148 18612 13661 1 20 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.247 -0.127 18612 13662 1 20 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.982 -0.194 18612 13663 1 20 . 1 1 9 9 LEU H H 9 7.913 7.913 8.289 -0.376 18612 13664 1 20 . 1 1 10 10 VAL N N 10 120.804 120.804 119.715 1.089 18612 13665 1 20 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.406 0.051 18612 13666 1 20 . 1 1 10 10 VAL CA C 10 67.030 67.030 67.261 -0.231 18612 13667 1 20 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.302 0.745 18612 13668 1 20 . 1 1 10 10 VAL H H 10 8.570 8.570 7.741 0.829 18612 13669 1 20 . 1 1 11 11 LYS N N 11 123.175 123.175 120.400 2.775 18612 13670 1 20 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.953 0.091 18612 13671 1 20 . 1 1 11 11 LYS CA C 11 59.870 59.870 59.958 -0.088 18612 13672 1 20 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.338 0.054 18612 13673 1 20 . 1 1 11 11 LYS H H 11 7.909 7.909 7.717 0.192 18612 13674 1 20 . 1 1 12 12 LEU N N 12 120.772 120.772 117.302 3.470 18612 13675 1 20 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.074 0.032 18612 13676 1 20 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.617 0.303 18612 13677 1 20 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.667 0.170 18612 13678 1 20 . 1 1 12 12 LEU H H 12 8.436 8.436 7.743 0.693 18612 13679 1 20 . 1 1 13 13 GLN N N 13 121.677 121.677 119.782 1.895 18612 13680 1 20 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.331 0.003 18612 13681 1 20 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.496 -2.096 18612 13682 1 20 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.387 -1.867 18612 13683 1 20 . 1 1 13 13 GLN H H 13 8.710 8.710 7.459 1.251 18612 13684 1 20 . 1 1 14 14 GLY N N 14 109.543 109.543 107.295 2.248 18612 13685 1 20 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.731 0.832 18612 13686 1 20 . 1 1 14 14 GLY H H 14 8.714 8.714 8.752 -0.038 18612 13687 1 20 . 1 1 15 15 GLU N N 15 123.144 123.144 121.937 1.207 18612 13688 1 20 . 1 1 15 15 GLU HA H 15 4.148 4.148 4.031 0.117 18612 13689 1 20 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.485 -0.515 18612 13690 1 20 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.538 -0.078 18612 13691 1 20 . 1 1 15 15 GLU H H 15 7.913 7.913 7.962 -0.049 18612 13692 1 20 . 1 1 16 16 ARG N N 16 123.135 123.135 120.088 3.047 18612 13693 1 20 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.088 0.050 18612 13694 1 20 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.346 -0.376 18612 13695 1 20 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.386 -0.986 18612 13696 1 20 . 1 1 16 16 ARG H H 16 8.104 8.104 7.767 0.337 18612 13697 1 20 . 1 1 17 17 VAL N N 17 119.501 119.501 119.178 0.323 18612 13698 1 20 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.678 -0.265 18612 13699 1 20 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.359 1.091 18612 13700 1 20 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.927 0.131 18612 13701 1 20 . 1 1 17 17 VAL H H 17 8.192 8.192 7.877 0.315 18612 13702 1 20 . 1 1 18 18 ARG N N 18 119.372 119.372 118.940 0.432 18612 13703 1 20 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.033 -0.099 18612 13704 1 20 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.987 0.073 18612 13705 1 20 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.959 0.313 18612 13706 1 20 . 1 1 18 18 ARG H H 18 7.980 7.980 7.981 -0.001 18612 13707 1 20 . 1 1 19 19 GLY N N 19 107.241 107.241 107.642 -0.401 18612 13708 1 20 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.996 0.366 18612 13709 1 20 . 1 1 19 19 GLY H H 19 8.362 8.362 8.192 0.170 18612 13710 1 20 . 1 1 20 20 LEU N N 20 122.627 122.627 120.534 2.093 18612 13711 1 20 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.410 -0.361 18612 13712 1 20 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.186 0.704 18612 13713 1 20 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.921 0.499 18612 13714 1 20 . 1 1 20 20 LEU H H 20 8.049 8.049 8.446 -0.397 18612 13715 1 20 . 1 1 21 21 LYS N N 21 118.255 118.255 120.564 -2.309 18612 13716 1 20 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.852 0.206 18612 13717 1 20 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.705 0.305 18612 13718 1 20 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.126 0.468 18612 13719 1 20 . 1 1 21 21 LYS H H 21 8.123 8.123 8.224 -0.101 18612 13720 1 20 . 1 1 22 22 GLN N N 22 121.183 121.183 117.551 3.632 18612 13721 1 20 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.169 -0.082 18612 13722 1 20 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.259 0.501 18612 13723 1 20 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.074 -0.474 18612 13724 1 20 . 1 1 22 22 GLN H H 22 8.234 8.234 7.691 0.543 18612 13725 1 20 . 1 1 23 23 GLN N N 23 116.219 116.219 117.843 -1.624 18612 13726 1 20 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.258 0.005 18612 13727 1 20 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.334 -1.656 18612 13728 1 20 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.684 -0.414 18612 13729 1 20 . 1 1 23 23 GLN H H 23 7.820 7.820 7.812 0.008 18612 13730 1 20 . 1 1 24 24 LYS N N 24 117.349 117.349 116.640 0.709 18612 13731 1 20 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.479 -0.567 18612 13732 1 20 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.705 1.325 18612 13733 1 20 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.532 -4.682 18612 13734 1 20 . 1 1 24 24 LYS H H 24 7.884 7.884 7.975 -0.091 18612 13735 1 20 . 1 1 25 25 ALA N N 25 119.909 119.909 122.277 -2.368 18612 13736 1 20 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.136 0.143 18612 13737 1 20 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.308 -1.288 18612 13738 1 20 . 1 1 25 25 ALA CB C 25 21.320 21.320 18.282 3.038 18612 13739 1 20 . 1 1 25 25 ALA H H 25 7.620 7.620 7.913 -0.293 18612 13740 1 20 . 1 1 26 26 SER N N 26 113.188 113.188 115.136 -1.948 18612 13741 1 20 . 1 1 26 26 SER HA H 26 4.244 4.244 4.202 0.042 18612 13742 1 20 . 1 1 26 26 SER CA C 26 58.390 58.390 59.011 -0.621 18612 13743 1 20 . 1 1 26 26 SER CB C 26 63.830 63.830 63.100 0.730 18612 13744 1 20 . 1 1 26 26 SER H H 26 8.228 8.228 8.509 -0.281 18612 13745 1 20 . 1 1 27 27 ALA N N 27 127.550 127.550 123.445 4.105 18612 13746 1 20 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.932 0.052 18612 13747 1 20 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.297 1.285 18612 13748 1 20 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.109 1.661 18612 13749 1 20 . 1 1 27 27 ALA H H 27 8.769 8.769 8.464 0.305 18612 13750 1 20 . 1 1 28 28 GLU N N 28 117.317 117.317 119.777 -2.460 18612 13751 1 20 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.134 -0.060 18612 13752 1 20 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.150 0.550 18612 13753 1 20 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.736 -0.656 18612 13754 1 20 . 1 1 28 28 GLU H H 28 8.830 8.830 8.086 0.744 18612 13755 1 20 . 1 1 29 29 LEU N N 29 122.971 122.971 120.423 2.548 18612 13756 1 20 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.191 0.120 18612 13757 1 20 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.892 -0.322 18612 13758 1 20 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.608 -0.003 18612 13759 1 20 . 1 1 29 29 LEU H H 29 7.401 7.401 7.973 -0.572 18612 13760 1 20 . 1 1 30 30 ILE N N 30 118.784 118.784 119.006 -0.222 18612 13761 1 20 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.489 -0.092 18612 13762 1 20 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.941 0.369 18612 13763 1 20 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.661 0.162 18612 13764 1 20 . 1 1 30 30 ILE H H 30 8.019 8.019 8.189 -0.170 18612 13765 1 20 . 1 1 31 31 GLU N N 31 118.215 118.215 118.209 0.006 18612 13766 1 20 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.979 -0.011 18612 13767 1 20 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.796 0.044 18612 13768 1 20 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.126 0.314 18612 13769 1 20 . 1 1 31 31 GLU H H 31 8.367 8.367 7.982 0.385 18612 13770 1 20 . 1 1 32 32 GLU N N 32 120.284 120.284 119.957 0.327 18612 13771 1 20 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.013 0.141 18612 13772 1 20 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.860 -0.480 18612 13773 1 20 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.447 0.393 18612 13774 1 20 . 1 1 32 32 GLU H H 32 7.667 7.667 7.861 -0.194 18612 13775 1 20 . 1 1 33 33 GLU N N 33 120.010 120.010 119.038 0.972 18612 13776 1 20 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.067 0.151 18612 13777 1 20 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.252 -0.872 18612 13778 1 20 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.627 -1.447 18612 13779 1 20 . 1 1 33 33 GLU H H 33 8.156 8.156 8.129 0.027 18612 13780 1 20 . 1 1 34 34 VAL N N 34 125.322 125.322 120.424 4.898 18612 13781 1 20 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.680 -0.038 18612 13782 1 20 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.320 0.530 18612 13783 1 20 . 1 1 34 34 VAL CB C 34 31.840 31.840 30.941 0.899 18612 13784 1 20 . 1 1 34 34 VAL H H 34 9.243 9.243 7.827 1.416 18612 13785 1 20 . 1 1 35 35 ALA N N 35 123.214 123.214 121.665 1.549 18612 13786 1 20 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.951 0.147 18612 13787 1 20 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.453 0.289 18612 13788 1 20 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.295 -1.045 18612 13789 1 20 . 1 1 35 35 ALA H H 35 8.160 8.160 8.328 -0.168 18612 13790 1 20 . 1 1 36 36 LYS N N 36 117.979 117.979 118.997 -1.018 18612 13791 1 20 . 1 1 36 36 LYS HA H 36 3.995 3.995 3.978 0.017 18612 13792 1 20 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.784 0.016 18612 13793 1 20 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.295 0.567 18612 13794 1 20 . 1 1 36 36 LYS H H 36 7.607 7.607 7.847 -0.240 18612 13795 1 20 . 1 1 37 37 LEU N N 37 120.957 120.957 121.218 -0.261 18612 13796 1 20 . 1 1 37 37 LEU HA H 37 4.003 4.003 3.942 0.061 18612 13797 1 20 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.961 -0.451 18612 13798 1 20 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.837 0.192 18612 13799 1 20 . 1 1 37 37 LEU H H 37 7.762 7.762 8.365 -0.603 18612 13800 1 20 . 1 1 38 38 LEU N N 38 118.910 118.910 119.708 -0.798 18612 13801 1 20 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.894 0.082 18612 13802 1 20 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.277 -0.007 18612 13803 1 20 . 1 1 38 38 LEU CB C 38 40.958 40.958 40.993 -0.035 18612 13804 1 20 . 1 1 38 38 LEU H H 38 8.636 8.636 7.794 0.842 18612 13805 1 20 . 1 1 39 39 LYS N N 39 120.804 120.804 119.093 1.711 18612 13806 1 20 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.001 0.079 18612 13807 1 20 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.434 0.018 18612 13808 1 20 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.317 0.341 18612 13809 1 20 . 1 1 39 39 LYS H H 39 7.864 7.864 7.660 0.204 18612 13810 1 20 . 1 1 40 40 LEU N N 40 120.940 120.940 121.099 -0.159 18612 13811 1 20 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.223 -0.113 18612 13812 1 20 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.127 -0.187 18612 13813 1 20 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.925 1.161 18612 13814 1 20 . 1 1 40 40 LEU H H 40 7.831 7.831 8.419 -0.588 18612 13815 1 20 . 1 1 41 41 LYS N N 41 117.563 117.563 118.996 -1.433 18612 13816 1 20 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.939 -0.089 18612 13817 1 20 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.573 0.507 18612 13818 1 20 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.879 0.624 18612 13819 1 20 . 1 1 41 41 LYS H H 41 8.493 8.493 8.517 -0.024 18612 13820 1 20 . 1 1 42 42 ALA N N 42 121.396 121.396 121.245 0.151 18612 13821 1 20 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.109 0.080 18612 13822 1 20 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.392 -0.113 18612 13823 1 20 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.387 -0.487 18612 13824 1 20 . 1 1 42 42 ALA H H 42 7.918 7.918 7.608 0.310 18612 13825 1 20 . 1 1 43 43 GLN N N 43 116.883 116.883 117.643 -0.760 18612 13826 1 20 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.068 0.068 18612 13827 1 20 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.416 -1.006 18612 13828 1 20 . 1 1 43 43 GLN CB C 43 29.580 29.580 29.005 0.576 18612 13829 1 20 . 1 1 43 43 GLN H H 43 7.591 7.591 7.457 0.134 18612 13830 1 20 . 1 1 44 44 LEU N N 44 119.828 119.828 118.697 1.131 18612 13831 1 20 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.028 0.180 18612 13832 1 20 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.905 -0.828 18612 13833 1 20 . 1 1 44 44 LEU CB C 44 42.427 42.427 41.848 0.579 18612 13834 1 20 . 1 1 44 44 LEU H H 44 7.574 7.574 7.685 -0.111 18612 13835 1 20 . 1 1 45 45 GLY N N 45 106.906 106.906 103.843 3.063 18612 13836 1 20 . 1 1 45 45 GLY CA C 45 44.524 44.524 42.979 1.545 18612 13837 1 20 . 1 1 45 45 GLY H H 45 7.687 7.687 7.455 0.232 18612 13838 1 20 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.330 0.117 18612 13839 1 20 . 1 1 46 46 PRO CA C 46 63.110 63.110 63.528 -0.418 18612 13840 1 20 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.185 0.245 18612 13841 1 20 . 1 1 47 47 ASP N N 47 121.060 121.060 116.733 4.327 18612 13842 1 20 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.375 0.203 18612 13843 1 20 . 1 1 47 47 ASP CA C 47 54.482 54.482 55.148 -0.666 18612 13844 1 20 . 1 1 47 47 ASP CB C 47 41.003 41.003 40.406 0.597 18612 13845 1 20 . 1 1 47 47 ASP H H 47 8.446 8.446 8.185 0.261 18612 13846 1 20 . 1 1 48 48 GLU N N 48 123.347 123.347 120.091 3.256 18612 13847 1 20 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.205 0.039 18612 13848 1 20 . 1 1 48 48 GLU CA C 48 56.930 56.930 58.747 -1.817 18612 13849 1 20 . 1 1 48 48 GLU CB C 48 30.547 30.547 29.598 0.949 18612 13850 1 20 . 1 1 48 48 GLU H H 48 8.577 8.577 8.602 -0.025 18612 13851 1 20 . 1 1 49 49 SER N N 49 116.751 116.751 112.714 4.037 18612 13852 1 20 . 1 1 49 49 SER HA H 49 4.349 4.349 4.136 0.213 18612 13853 1 20 . 1 1 49 49 SER CA C 49 59.380 59.380 60.116 -0.736 18612 13854 1 20 . 1 1 49 49 SER CB C 49 63.460 63.460 62.896 0.564 18612 13855 1 20 . 1 1 49 49 SER H H 49 8.399 8.399 8.227 0.172 18612 13856 1 20 . 1 1 50 50 LYS N N 50 121.935 121.935 120.750 1.185 18612 13857 1 20 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.079 0.362 18612 13858 1 20 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.880 -1.360 18612 13859 1 20 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.732 -2.277 18612 13860 1 20 . 1 1 50 50 LYS H H 50 8.058 8.058 7.673 0.385 18612 13861 1 20 . 1 1 51 51 GLN N N 51 122.155 122.155 118.735 3.420 18612 13862 1 20 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.251 -0.048 18612 13863 1 20 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.694 0.515 18612 13864 1 20 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.246 1.542 18612 13865 1 20 . 1 1 51 51 GLN H H 51 8.273 8.273 7.889 0.384 18612 13866 1 20 . 1 1 52 52 LYS N N 52 122.761 122.761 121.627 1.134 18612 13867 1 20 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.491 -0.176 18612 13868 1 20 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.230 1.250 18612 13869 1 20 . 1 1 52 52 LYS CB C 52 32.922 32.922 34.538 -1.616 18612 13870 1 20 . 1 1 52 52 LYS H H 52 8.251 8.251 8.259 -0.008 18612 13871 1 20 . 1 1 53 53 PHE N N 53 121.326 121.326 125.333 -4.007 18612 13872 1 20 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.758 -0.114 18612 13873 1 20 . 1 1 53 53 PHE CA C 53 57.640 57.640 56.779 0.861 18612 13874 1 20 . 1 1 53 53 PHE CB C 53 39.588 39.588 38.568 1.020 18612 13875 1 20 . 1 1 53 53 PHE H H 53 8.153 8.153 8.729 -0.576 18612 13876 1 20 . 1 1 54 54 VAL N N 54 122.941 122.941 125.571 -2.630 18612 13877 1 20 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.319 -0.276 18612 13878 1 20 . 1 1 54 54 VAL CA C 54 61.980 61.980 61.618 0.362 18612 13879 1 20 . 1 1 54 54 VAL CB C 54 33.181 33.181 33.406 -0.225 18612 13880 1 20 . 1 1 54 54 VAL H H 54 7.960 7.960 7.926 0.034 18612 13881 1 20 . 1 1 55 55 LEU N N 55 126.751 126.751 127.098 -0.347 18612 13882 1 20 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.576 -0.263 18612 13883 1 20 . 1 1 55 55 LEU CA C 55 55.060 55.060 53.876 1.184 18612 13884 1 20 . 1 1 55 55 LEU CB C 55 42.315 42.315 44.038 -1.723 18612 13885 1 20 . 1 1 55 55 LEU H H 55 8.226 8.226 8.207 0.019 18612 13886 1 20 . 1 1 56 56 LYS N N 56 123.614 123.614 120.965 2.649 18612 13887 1 20 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.321 0.051 18612 13888 1 20 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.063 -0.151 18612 13889 1 20 . 1 1 56 56 LYS CB C 56 33.191 33.191 32.443 0.748 18612 13890 1 20 . 1 1 56 56 LYS H H 56 8.320 8.320 8.314 0.006 18612 13891 1 20 . 1 1 57 57 THR N N 57 115.794 115.794 113.762 2.032 18612 13892 1 20 . 1 1 57 57 THR HA H 57 4.349 4.349 4.487 -0.138 18612 13893 1 20 . 1 1 57 57 THR CA C 57 58.960 58.960 60.138 -1.178 18612 13894 1 20 . 1 1 57 57 THR CB C 57 70.740 70.740 68.605 2.135 18612 13895 1 20 . 1 1 57 57 THR H H 57 7.892 7.892 8.236 -0.344 18612 13896 1 20 . 1 1 59 59 LYS N N 59 121.755 121.755 126.535 -4.780 18612 13897 1 20 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.331 -0.104 18612 13898 1 20 . 1 1 59 59 LYS CA C 59 56.520 56.520 55.923 0.597 18612 13899 1 20 . 1 1 59 59 LYS CB C 59 33.094 33.094 31.470 1.624 18612 13900 1 20 . 1 1 59 59 LYS H H 59 8.300 8.300 8.536 -0.236 18612 13901 1 20 . 1 1 60 60 ALA N N 60 125.263 125.263 125.539 -0.276 18612 13902 1 20 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.667 -0.389 18612 13903 1 20 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.724 0.140 18612 13904 1 20 . 1 1 60 60 ALA CB C 60 18.980 18.980 19.427 -0.447 18612 13905 1 20 . 1 1 60 60 ALA H H 60 8.290 8.290 7.954 0.336 18612 13906 1 20 . 1 1 61 61 LEU N N 61 121.255 121.255 120.132 1.123 18612 13907 1 20 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.117 0.163 18612 13908 1 20 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.989 -0.404 18612 13909 1 20 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.529 -0.284 18612 13910 1 20 . 1 1 61 61 LEU H H 61 8.144 8.144 8.215 -0.071 18612 13911 1 20 . 1 1 62 62 GLU N N 62 121.401 121.401 115.433 5.968 18612 13912 1 20 . 1 1 62 62 GLU HA H 62 4.276 4.276 3.900 0.376 18612 13913 1 20 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.915 0.015 18612 13914 1 20 . 1 1 62 62 GLU CB C 62 30.235 30.235 28.129 2.106 18612 13915 1 20 . 1 1 62 62 GLU H H 62 8.266 8.266 8.500 -0.234 18612 13916 1 20 . 1 1 64 64 LYS N N 64 120.575 120.575 121.836 -1.261 18612 13917 1 20 . 1 1 64 64 LYS HA H 64 4.244 4.244 3.962 0.282 18612 13918 1 20 . 1 1 64 64 LYS CA C 64 56.085 56.085 57.204 -1.119 18612 13919 1 20 . 1 1 64 64 LYS CB C 64 29.470 29.470 31.785 -2.315 18612 13920 1 20 . 1 1 64 64 LYS H H 64 8.106 8.106 8.651 -0.545 18612 13921 1 20 . 1 1 65 65 ILE N N 65 122.492 122.492 113.760 8.732 18612 13922 1 20 . 1 1 65 65 ILE HA H 65 4.140 4.140 3.974 0.166 18612 13923 1 20 . 1 1 65 65 ILE CA C 65 61.180 61.180 63.131 -1.951 18612 13924 1 20 . 1 1 65 65 ILE CB C 65 38.550 38.550 37.799 0.751 18612 13925 1 20 . 1 1 65 65 ILE H H 65 8.135 8.135 7.402 0.733 18612 13926 1 20 . 1 1 66 66 ARG N N 66 125.714 125.714 123.923 1.791 18612 13927 1 20 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.535 -0.067 18612 13928 1 20 . 1 1 66 66 ARG CA C 66 56.067 56.067 55.275 0.792 18612 13929 1 20 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.144 0.882 18612 13930 1 20 . 1 1 66 66 ARG H H 66 8.402 8.402 8.569 -0.167 18612 13931 1 20 . 1 1 67 67 THR N N 67 115.622 115.622 111.328 4.294 18612 13932 1 20 . 1 1 67 67 THR HA H 67 4.445 4.445 4.481 -0.036 18612 13933 1 20 . 1 1 67 67 THR CA C 67 61.650 61.650 61.789 -0.139 18612 13934 1 20 . 1 1 67 67 THR CB C 67 69.620 69.620 70.071 -0.451 18612 13935 1 20 . 1 1 67 67 THR H H 67 8.281 8.281 7.531 0.750 18612 13936 1 20 . 1 1 68 68 THR N N 68 116.774 116.774 117.349 -0.575 18612 13937 1 20 . 1 1 68 68 THR HA H 68 4.503 4.503 4.444 0.059 18612 13938 1 20 . 1 1 68 68 THR CA C 68 61.050 61.050 63.390 -2.340 18612 13939 1 20 . 1 1 68 68 THR CB C 68 69.210 69.210 69.384 -0.174 18612 13940 1 20 . 1 1 68 68 THR H H 68 8.076 8.076 8.469 -0.393 18612 13941 1 20 . 1 1 69 69 GLU N N 69 124.048 124.048 121.217 2.831 18612 13942 1 20 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.556 -0.180 18612 13943 1 20 . 1 1 69 69 GLU CA C 69 56.400 56.400 55.934 0.466 18612 13944 1 20 . 1 1 69 69 GLU CB C 69 30.618 30.618 31.181 -0.563 18612 13945 1 20 . 1 1 69 69 GLU H H 69 8.515 8.515 8.294 0.221 18612 13946 1 20 . 1 1 70 70 THR N N 70 118.988 118.988 113.131 5.857 18612 13947 1 20 . 1 1 70 70 THR HA H 70 3.741 3.741 4.503 -0.762 18612 13948 1 20 . 1 1 70 70 THR CA C 70 64.680 64.680 62.361 2.319 18612 13949 1 20 . 1 1 70 70 THR CB C 70 68.770 68.770 69.331 -0.561 18612 13950 1 20 . 1 1 70 70 THR H H 70 8.259 8.259 7.763 0.496 18612 13951 1 20 . 1 1 71 71 GLN N N 71 125.858 125.858 126.762 -0.904 18612 13952 1 20 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.448 -0.154 18612 13953 1 20 . 1 1 71 71 GLN CA C 71 57.400 57.400 58.185 -0.785 18612 13954 1 20 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.023 2.048 18612 13955 1 20 . 1 1 71 71 GLN H H 71 8.795 8.795 8.799 -0.004 18612 13956 1 20 . 1 1 72 72 VAL N N 72 113.505 113.505 110.835 2.670 18612 13957 1 20 . 1 1 72 72 VAL HA H 72 4.898 4.898 5.080 -0.182 18612 13958 1 20 . 1 1 72 72 VAL CA C 72 58.620 58.620 58.822 -0.202 18612 13959 1 20 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.897 -0.493 18612 13960 1 20 . 1 1 72 72 VAL H H 72 7.325 7.325 7.312 0.013 18612 13961 1 20 . 1 1 73 73 LEU N N 73 128.725 128.725 121.180 7.545 18612 13962 1 20 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.837 0.255 18612 13963 1 20 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.072 -0.331 18612 13964 1 20 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.402 -0.321 18612 13965 1 20 . 1 1 73 73 LEU H H 73 8.170 8.170 8.113 0.057 18612 13966 1 20 . 1 1 74 74 VAL N N 74 127.634 127.634 119.269 8.365 18612 13967 1 20 . 1 1 74 74 VAL HA H 74 4.766 4.766 5.199 -0.433 18612 13968 1 20 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.296 1.794 18612 13969 1 20 . 1 1 74 74 VAL CB C 74 31.690 31.690 33.280 -1.590 18612 13970 1 20 . 1 1 74 74 VAL H H 74 8.913 8.913 8.476 0.437 18612 13971 1 20 . 1 1 75 75 ALA N N 75 132.602 132.602 128.556 4.046 18612 13972 1 20 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.861 -0.054 18612 13973 1 20 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.433 0.467 18612 13974 1 20 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.219 1.701 18612 13975 1 20 . 1 1 75 75 ALA H H 75 9.421 9.421 8.999 0.422 18612 13976 1 20 . 1 1 76 76 SER N N 76 111.274 111.274 114.189 -2.915 18612 13977 1 20 . 1 1 76 76 SER HA H 76 4.951 4.951 4.631 0.320 18612 13978 1 20 . 1 1 76 76 SER CA C 76 56.940 56.940 57.011 -0.071 18612 13979 1 20 . 1 1 76 76 SER CB C 76 65.960 65.960 66.413 -0.453 18612 13980 1 20 . 1 1 76 76 SER H H 76 8.106 8.106 8.282 -0.176 18612 13981 1 20 . 1 1 77 77 ALA N N 77 125.393 125.393 125.285 0.108 18612 13982 1 20 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.263 0.199 18612 13983 1 20 . 1 1 77 77 ALA CA C 77 52.754 52.754 53.760 -1.006 18612 13984 1 20 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.222 0.518 18612 13985 1 20 . 1 1 77 77 ALA H H 77 9.004 9.004 8.534 0.470 18612 13986 1 20 . 1 1 78 78 GLN N N 78 116.290 116.290 118.807 -2.517 18612 13987 1 20 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.422 0.021 18612 13988 1 20 . 1 1 78 78 GLN CA C 78 56.630 56.630 54.772 1.858 18612 13989 1 20 . 1 1 78 78 GLN CB C 78 30.553 30.553 28.588 1.965 18612 13990 1 20 . 1 1 78 78 GLN H H 78 7.985 7.985 8.075 -0.090 18612 13991 1 20 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.653 -0.090 18612 13992 1 20 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.507 -7.506 18612 13993 1 20 . 1 1 81 81 LEU CB C 81 41.021 41.021 43.816 -2.795 18612 13994 1 20 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.458 0.340 18612 13995 1 20 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.044 -0.138 18612 13996 1 20 . 1 1 85 85 ARG N N 85 119.948 119.948 120.131 -0.183 18612 13997 1 20 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.113 -0.242 18612 13998 1 20 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.024 1.656 18612 13999 1 20 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.874 2.047 18612 14000 1 20 . 1 1 85 85 ARG H H 85 8.229 8.229 8.059 0.170 18612 14001 1 20 . 1 1 86 86 LEU N N 86 120.227 120.227 119.550 0.677 18612 14002 1 20 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.927 -0.101 18612 14003 1 20 . 1 1 86 86 LEU CA C 86 58.190 58.190 57.934 0.256 18612 14004 1 20 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.514 0.074 18612 14005 1 20 . 1 1 86 86 LEU H H 86 8.459 8.459 8.091 0.368 18612 14006 1 20 . 1 1 87 87 LYS N N 87 120.470 120.470 119.944 0.526 18612 14007 1 20 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.038 -0.017 18612 14008 1 20 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.524 -0.144 18612 14009 1 20 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.475 0.423 18612 14010 1 20 . 1 1 87 87 LYS H H 87 7.945 7.945 8.004 -0.059 18612 14011 1 20 . 1 1 88 88 LEU N N 88 119.799 119.799 119.995 -0.196 18612 14012 1 20 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.027 0.180 18612 14013 1 20 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.361 -0.681 18612 14014 1 20 . 1 1 88 88 LEU CB C 88 41.225 41.225 42.191 -0.966 18612 14015 1 20 . 1 1 88 88 LEU H H 88 7.547 7.547 8.179 -0.632 18612 14016 1 20 . 1 1 89 89 VAL N N 89 118.828 118.828 115.845 2.983 18612 14017 1 20 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.600 -0.282 18612 14018 1 20 . 1 1 89 89 VAL CA C 89 67.750 67.750 65.783 1.967 18612 14019 1 20 . 1 1 89 89 VAL CB C 89 31.378 31.378 30.527 0.851 18612 14020 1 20 . 1 1 89 89 VAL H H 89 8.347 8.347 8.316 0.031 18612 14021 1 20 . 1 1 90 90 SER N N 90 114.835 114.835 116.351 -1.516 18612 14022 1 20 . 1 1 90 90 SER HA H 90 4.207 4.207 4.080 0.127 18612 14023 1 20 . 1 1 90 90 SER CA C 90 62.000 62.000 62.102 -0.102 18612 14024 1 20 . 1 1 90 90 SER CB C 90 62.770 62.770 62.602 0.168 18612 14025 1 20 . 1 1 90 90 SER H H 90 7.942 7.942 7.855 0.087 18612 14026 1 20 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.047 -0.004 18612 14027 1 20 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.700 -0.260 18612 14028 1 20 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.780 0.454 18612 14029 1 20 . 1 1 92 92 LEU N N 92 119.720 119.720 120.169 -0.449 18612 14030 1 20 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.048 -0.100 18612 14031 1 20 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.323 -0.203 18612 14032 1 20 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.924 -1.348 18612 14033 1 20 . 1 1 92 92 LEU H H 92 8.379 8.379 7.922 0.457 18612 14034 1 20 . 1 1 93 93 GLN N N 93 120.938 120.938 119.182 1.756 18612 14035 1 20 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.341 0.212 18612 14036 1 20 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.847 0.203 18612 14037 1 20 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.444 -0.464 18612 14038 1 20 . 1 1 93 93 GLN H H 93 8.751 8.751 8.476 0.275 18612 14039 1 20 . 1 1 94 94 ASP N N 94 122.442 122.442 119.291 3.151 18612 14040 1 20 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.521 -0.062 18612 14041 1 20 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.416 0.684 18612 14042 1 20 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.096 -0.835 18612 14043 1 20 . 1 1 94 94 ASP H H 94 8.470 8.470 7.954 0.516 18612 14044 1 20 . 1 1 95 95 ALA N N 95 120.437 120.437 120.780 -0.343 18612 14045 1 20 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.356 0.156 18612 14046 1 20 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.102 -1.357 18612 14047 1 20 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.950 0.070 18612 14048 1 20 . 1 1 95 95 ALA H H 95 7.340 7.340 7.926 -0.586 18612 14049 1 20 . 1 1 96 96 GLY N N 96 106.865 106.865 107.419 -0.554 18612 14050 1 20 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.633 0.657 18612 14051 1 20 . 1 1 96 96 GLY H H 96 7.987 7.987 7.996 -0.009 18612 14052 1 20 . 1 1 97 97 ILE N N 97 122.489 122.489 118.001 4.488 18612 14053 1 20 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.208 0.046 18612 14054 1 20 . 1 1 97 97 ILE CA C 97 58.650 58.650 59.046 -0.396 18612 14055 1 20 . 1 1 97 97 ILE CB C 97 37.973 37.973 38.924 -0.951 18612 14056 1 20 . 1 1 97 97 ILE H H 97 8.062 8.062 7.749 0.313 18612 14057 1 20 . 1 1 98 98 LYS N N 98 127.459 127.459 123.826 3.633 18612 14058 1 20 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.309 0.198 18612 14059 1 20 . 1 1 98 98 LYS CA C 98 55.921 55.921 55.279 0.643 18612 14060 1 20 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.503 -0.069 18612 14061 1 20 . 1 1 98 98 LYS H H 98 8.574 8.574 8.535 0.039 18612 14062 1 20 . 1 1 99 99 ALA N N 99 130.423 130.423 127.951 2.472 18612 14063 1 20 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.275 1.489 18612 14064 1 20 . 1 1 99 99 ALA CA C 99 49.211 49.211 52.020 -2.809 18612 14065 1 20 . 1 1 99 99 ALA CB C 99 24.870 24.870 19.820 5.050 18612 14066 1 20 . 1 1 99 99 ALA H H 99 7.813 7.813 8.272 -0.459 18612 14067 1 20 . 1 1 100 100 GLU N N 100 118.988 118.988 123.306 -4.318 18612 14068 1 20 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.617 0.218 18612 14069 1 20 . 1 1 100 100 GLU CA C 100 54.706 54.706 54.942 -0.236 18612 14070 1 20 . 1 1 100 100 GLU CB C 100 35.921 35.921 34.050 1.871 18612 14071 1 20 . 1 1 100 100 GLU H H 100 8.226 8.226 8.569 -0.343 18612 14072 1 20 . 1 1 101 101 LEU N N 101 120.024 120.024 121.137 -1.113 18612 14073 1 20 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.200 0.514 18612 14074 1 20 . 1 1 101 101 LEU CA C 101 54.760 54.760 53.712 1.048 18612 14075 1 20 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.345 0.739 18612 14076 1 20 . 1 1 101 101 LEU H H 101 8.478 8.478 8.437 0.041 18612 14077 1 20 . 1 1 102 102 LEU N N 102 118.623 118.623 122.679 -4.056 18612 14078 1 20 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.536 -0.502 18612 14079 1 20 . 1 1 102 102 LEU CA C 102 58.460 58.460 53.722 4.738 18612 14080 1 20 . 1 1 102 102 LEU CB C 102 41.225 41.225 44.926 -3.701 18612 14081 1 20 . 1 1 102 102 LEU H H 102 8.763 8.763 7.459 1.304 18612 14082 1 20 . 1 1 103 103 TYR N N 103 115.970 115.970 115.803 0.167 18612 14083 1 20 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.694 -0.112 18612 14084 1 20 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.902 -1.929 18612 14085 1 20 . 1 1 103 103 TYR CB C 103 38.732 38.732 39.496 -0.764 18612 14086 1 20 . 1 1 103 103 TYR H H 103 7.378 7.378 8.543 -1.165 18612 14087 1 20 . 1 1 104 104 LYS N N 104 120.577 120.577 120.783 -0.206 18612 14088 1 20 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.352 -0.213 18612 14089 1 20 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.095 0.385 18612 14090 1 20 . 1 1 104 104 LYS CB C 104 32.922 32.922 33.529 -0.607 18612 14091 1 20 . 1 1 104 104 LYS H H 104 7.906 7.906 7.994 -0.088 18612 14092 1 20 . 1 1 110 110 LEU HA H 110 4.029 4.029 3.835 0.194 18612 14093 1 20 . 1 1 112 112 GLN HA H 112 3.999 3.999 3.998 0.001 18612 14094 1 20 . 1 1 113 113 LEU N N 113 120.147 120.147 119.817 0.330 18612 14095 1 20 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.145 -0.162 18612 14096 1 20 . 1 1 113 113 LEU CA C 113 58.420 58.420 58.252 0.168 18612 14097 1 20 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.150 -0.557 18612 14098 1 20 . 1 1 113 113 LEU H H 113 8.365 8.365 8.596 -0.231 18612 14099 1 20 . 1 1 114 114 GLN N N 114 119.995 119.995 118.154 1.841 18612 14100 1 20 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.311 -0.274 18612 14101 1 20 . 1 1 114 114 GLN CA C 114 58.970 58.970 58.714 0.256 18612 14102 1 20 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.062 0.128 18612 14103 1 20 . 1 1 114 114 GLN H H 114 8.126 8.126 7.862 0.264 18612 14104 1 20 . 1 1 115 115 TYR N N 115 120.358 120.358 120.600 -0.242 18612 14105 1 20 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.260 0.035 18612 14106 1 20 . 1 1 115 115 TYR CA C 115 61.030 61.030 60.411 0.619 18612 14107 1 20 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.267 -0.498 18612 14108 1 20 . 1 1 115 115 TYR H H 115 7.819 7.819 8.489 -0.670 18612 14109 1 20 . 1 1 116 116 CYS N N 116 116.264 116.264 117.503 -1.239 18612 14110 1 20 . 1 1 116 116 CYS HA H 116 3.816 3.816 4.113 -0.297 18612 14111 1 20 . 1 1 116 116 CYS CA C 116 64.230 64.230 61.749 2.481 18612 14112 1 20 . 1 1 116 116 CYS CB C 116 27.320 27.320 28.447 -1.127 18612 14113 1 20 . 1 1 116 116 CYS H H 116 7.710 7.710 8.739 -1.029 18612 14114 1 20 . 1 1 117 117 GLU N N 117 119.526 119.526 120.361 -0.835 18612 14115 1 20 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.037 -0.189 18612 14116 1 20 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.180 -0.030 18612 14117 1 20 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.632 0.068 18612 14118 1 20 . 1 1 117 117 GLU H H 117 7.912 7.912 8.383 -0.471 18612 14119 1 20 . 1 1 118 118 GLU N N 118 119.875 119.875 118.601 1.274 18612 14120 1 20 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.218 -0.249 18612 14121 1 20 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.993 -0.214 18612 14122 1 20 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.846 -0.036 18612 14123 1 20 . 1 1 118 118 GLU H H 118 7.988 7.988 7.863 0.125 18612 14124 1 20 . 1 1 119 119 ALA N N 119 119.118 119.118 120.117 -0.999 18612 14125 1 20 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.285 -0.119 18612 14126 1 20 . 1 1 119 119 ALA CA C 119 52.654 52.654 53.649 -0.995 18612 14127 1 20 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.205 -0.125 18612 14128 1 20 . 1 1 119 119 ALA H H 119 8.137 8.137 7.690 0.447 18612 14129 1 20 . 1 1 120 120 GLY N N 120 106.604 106.604 105.704 0.900 18612 14130 1 20 . 1 1 120 120 GLY CA C 120 46.377 46.377 43.992 2.385 18612 14131 1 20 . 1 1 120 120 GLY H H 120 7.550 7.550 8.004 -0.454 18612 14132 1 20 . 1 1 121 121 ILE N N 121 124.026 124.026 118.772 5.254 18612 14133 1 20 . 1 1 121 121 ILE HA H 121 4.011 4.011 3.918 0.093 18612 14134 1 20 . 1 1 121 121 ILE CA C 121 63.050 63.050 64.578 -1.528 18612 14135 1 20 . 1 1 121 121 ILE CB C 121 40.051 40.051 35.587 4.464 18612 14136 1 20 . 1 1 121 121 ILE H H 121 7.918 7.918 7.378 0.540 18612 14137 1 20 . 1 1 123 123 LEU N N 123 119.541 119.541 116.765 2.776 18612 14138 1 20 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.699 0.804 18612 14139 1 20 . 1 1 123 123 LEU CA C 123 53.686 53.686 53.883 -0.197 18612 14140 1 20 . 1 1 123 123 LEU CB C 123 47.057 47.057 46.549 0.508 18612 14141 1 20 . 1 1 123 123 LEU H H 123 6.973 6.973 7.827 -0.854 18612 14142 1 20 . 1 1 124 124 VAL N N 124 119.580 119.580 120.112 -0.532 18612 14143 1 20 . 1 1 124 124 VAL HA H 124 5.036 5.036 5.010 0.026 18612 14144 1 20 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.257 -0.677 18612 14145 1 20 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.893 -1.636 18612 14146 1 20 . 1 1 124 124 VAL H H 124 8.823 8.823 8.217 0.606 18612 14147 1 20 . 1 1 125 125 ALA N N 125 130.810 130.810 125.426 5.384 18612 14148 1 20 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.091 0.065 18612 14149 1 20 . 1 1 125 125 ALA CA C 125 49.195 49.195 51.576 -2.381 18612 14150 1 20 . 1 1 125 125 ALA CB C 125 20.060 20.060 22.299 -2.239 18612 14151 1 20 . 1 1 125 125 ALA H H 125 9.083 9.083 9.127 -0.044 18612 14152 1 20 . 1 1 126 126 ILE N N 126 124.925 124.925 125.659 -0.734 18612 14153 1 20 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.563 -0.060 18612 14154 1 20 . 1 1 126 126 ILE CA C 126 60.960 60.960 60.941 0.020 18612 14155 1 20 . 1 1 126 126 ILE CB C 126 39.805 39.805 36.869 2.936 18612 14156 1 20 . 1 1 126 126 ILE H H 126 9.564 9.564 9.011 0.553 18612 14157 1 20 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.120 0.523 18612 14158 1 20 . 1 1 127 127 ILE CA C 127 59.440 59.440 61.900 -2.460 18612 14159 1 20 . 1 1 127 127 ILE CB C 127 41.002 41.002 38.722 2.280 18612 14160 1 20 . 1 1 129 129 GLU N N 129 121.547 121.547 124.350 -2.803 18612 14161 1 20 . 1 1 129 129 GLU HA H 129 3.948 3.948 3.834 0.114 18612 14162 1 20 . 1 1 129 129 GLU CA C 129 60.400 60.400 60.039 0.361 18612 14163 1 20 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.708 0.594 18612 14164 1 20 . 1 1 129 129 GLU H H 129 9.035 9.035 8.415 0.620 18612 14165 1 20 . 1 1 130 130 GLN N N 130 120.221 120.221 117.536 2.685 18612 14166 1 20 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.062 -0.185 18612 14167 1 20 . 1 1 130 130 GLN CA C 130 58.420 58.420 58.980 -0.560 18612 14168 1 20 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.425 -0.025 18612 14169 1 20 . 1 1 130 130 GLN H H 130 8.914 8.914 8.525 0.389 18612 14170 1 20 . 1 1 131 131 GLU N N 131 120.680 120.680 120.874 -0.194 18612 14171 1 20 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.139 -0.200 18612 14172 1 20 . 1 1 131 131 GLU CA C 131 61.210 61.210 59.113 2.097 18612 14173 1 20 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.519 -1.349 18612 14174 1 20 . 1 1 131 131 GLU H H 131 8.871 8.871 8.107 0.764 18612 14175 1 20 . 1 1 132 132 LEU N N 132 118.303 118.303 120.347 -2.044 18612 14176 1 20 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.006 0.356 18612 14177 1 20 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.100 -1.984 18612 14178 1 20 . 1 1 132 132 LEU CB C 132 41.823 41.823 42.016 -0.193 18612 14179 1 20 . 1 1 132 132 LEU H H 132 8.152 8.152 8.306 -0.154 18612 14180 1 20 . 1 1 133 133 LYS N N 133 120.924 120.924 118.323 2.601 18612 14181 1 20 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.188 -0.107 18612 14182 1 20 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.757 0.823 18612 14183 1 20 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.889 -0.417 18612 14184 1 20 . 1 1 133 133 LYS H H 133 7.631 7.631 7.709 -0.078 18612 14185 1 20 . 1 1 134 134 ASP N N 134 118.256 118.256 116.721 1.535 18612 14186 1 20 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.609 0.060 18612 14187 1 20 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.990 -0.839 18612 14188 1 20 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.605 -0.224 18612 14189 1 20 . 1 1 134 134 ASP H H 134 7.985 7.985 8.031 -0.046 18612 14190 1 20 . 1 1 135 135 GLY N N 135 109.383 109.383 106.106 3.277 18612 14191 1 20 . 1 1 135 135 GLY CA C 135 46.563 46.563 44.751 1.812 18612 14192 1 20 . 1 1 135 135 GLY H H 135 8.019 8.019 8.177 -0.158 18612 14193 1 20 . 1 1 136 136 VAL N N 136 117.112 117.112 117.207 -0.095 18612 14194 1 20 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.060 0.843 18612 14195 1 20 . 1 1 136 136 VAL CA C 136 59.950 59.950 61.964 -2.014 18612 14196 1 20 . 1 1 136 136 VAL CB C 136 35.885 35.885 34.973 0.912 18612 14197 1 20 . 1 1 136 136 VAL H H 136 8.229 8.229 7.689 0.540 18612 14198 1 20 . 1 1 137 137 ILE N N 137 121.971 121.971 122.618 -0.647 18612 14199 1 20 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.446 -0.272 18612 14200 1 20 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.786 -2.226 18612 14201 1 20 . 1 1 137 137 ILE CB C 137 40.789 40.789 38.361 2.428 18612 14202 1 20 . 1 1 137 137 ILE H H 137 8.975 8.975 8.117 0.858 18612 14203 1 20 . 1 1 138 138 LYS N N 138 126.613 126.613 128.038 -1.425 18612 14204 1 20 . 1 1 138 138 LYS HA H 138 4.924 4.924 4.879 0.045 18612 14205 1 20 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.895 0.820 18612 14206 1 20 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.089 -0.872 18612 14207 1 20 . 1 1 138 138 LYS H H 138 7.726 7.726 8.412 -0.686 18612 14208 1 20 . 1 1 139 139 LEU N N 139 129.177 129.177 125.850 3.327 18612 14209 1 20 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.668 0.535 18612 14210 1 20 . 1 1 139 139 LEU CA C 139 53.290 53.290 54.129 -0.839 18612 14211 1 20 . 1 1 139 139 LEU CB C 139 44.760 44.760 43.103 1.657 18612 14212 1 20 . 1 1 139 139 LEU H H 139 9.404 9.404 8.029 1.375 18612 14213 1 20 . 1 1 140 140 ARG N N 140 128.243 128.243 125.784 2.459 18612 14214 1 20 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.548 0.714 18612 14215 1 20 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.034 -1.349 18612 14216 1 20 . 1 1 140 140 ARG CB C 140 27.990 27.990 29.971 -1.981 18612 14217 1 20 . 1 1 140 140 ARG H H 140 9.540 9.540 8.315 1.225 18612 14218 1 20 . 1 1 142 142 VAL N N 142 129.670 129.670 125.232 4.438 18612 14219 1 20 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.709 -0.162 18612 14220 1 20 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.840 0.110 18612 14221 1 20 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.137 1.551 18612 14222 1 20 . 1 1 142 142 VAL H H 142 8.336 8.336 8.211 0.125 18612 14223 1 20 . 1 1 143 143 THR N N 143 111.061 111.061 111.310 -0.249 18612 14224 1 20 . 1 1 143 143 THR HA H 143 4.157 4.157 4.102 0.055 18612 14225 1 20 . 1 1 143 143 THR CA C 143 69.400 69.400 64.958 4.442 18612 14226 1 20 . 1 1 143 143 THR CB C 143 70.020 70.020 68.777 1.243 18612 14227 1 20 . 1 1 143 143 THR H H 143 8.248 8.248 7.705 0.543 18612 14228 1 20 . 1 1 144 144 SER N N 144 115.158 115.158 115.928 -0.770 18612 14229 1 20 . 1 1 144 144 SER HA H 144 4.514 4.514 4.290 0.224 18612 14230 1 20 . 1 1 144 144 SER CA C 144 58.370 58.370 60.623 -2.253 18612 14231 1 20 . 1 1 144 144 SER CB C 144 64.500 64.500 63.504 0.996 18612 14232 1 20 . 1 1 144 144 SER H H 144 7.812 7.812 8.350 -0.538 18612 14233 1 20 . 1 1 145 145 ARG N N 145 116.527 116.527 118.512 -1.985 18612 14234 1 20 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.492 -0.666 18612 14235 1 20 . 1 1 145 145 ARG CA C 145 58.300 58.300 56.237 2.062 18612 14236 1 20 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.115 -3.915 18612 14237 1 20 . 1 1 145 145 ARG H H 145 7.836 7.836 7.966 -0.130 18612 14238 1 20 . 1 1 146 146 GLU N N 146 119.889 119.889 116.054 3.835 18612 14239 1 20 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.371 -0.102 18612 14240 1 20 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.934 -0.004 18612 14241 1 20 . 1 1 146 146 GLU CB C 146 31.638 31.638 32.204 -0.566 18612 14242 1 20 . 1 1 146 146 GLU H H 146 7.675 7.675 8.410 -0.735 18612 14243 1 20 . 1 1 147 147 GLU N N 147 124.286 124.286 118.715 5.571 18612 14244 1 20 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.688 0.631 18612 14245 1 20 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.090 -0.154 18612 14246 1 20 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.513 1.228 18612 14247 1 20 . 1 1 147 147 GLU H H 147 8.602 8.602 8.190 0.412 18612 14248 1 20 . 1 1 148 148 VAL N N 148 120.587 120.587 121.825 -1.238 18612 14249 1 20 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.224 0.310 18612 14250 1 20 . 1 1 148 148 VAL CA C 148 59.660 59.660 60.590 -0.930 18612 14251 1 20 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.620 0.070 18612 14252 1 20 . 1 1 148 148 VAL H H 148 8.536 8.536 8.112 0.424 18612 14253 1 20 . 1 1 149 149 ASP N N 149 125.031 125.031 123.813 1.218 18612 14254 1 20 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.813 0.341 18612 14255 1 20 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.624 0.289 18612 14256 1 20 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.848 -1.067 18612 14257 1 20 . 1 1 149 149 ASP H H 149 8.411 8.411 8.429 -0.018 18612 14258 1 20 . 1 1 150 150 VAL N N 150 123.264 123.264 122.385 0.879 18612 14259 1 20 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.347 0.053 18612 14260 1 20 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.761 -0.121 18612 14261 1 20 . 1 1 150 150 VAL CB C 150 35.025 35.025 36.427 -1.402 18612 14262 1 20 . 1 1 150 150 VAL H H 150 9.061 9.061 8.784 0.277 18612 14263 1 20 . 1 1 151 151 ARG N N 151 125.112 125.112 122.036 3.076 18612 14264 1 20 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.541 -0.133 18612 14265 1 20 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.950 2.160 18612 14266 1 20 . 1 1 151 151 ARG CB C 151 29.890 29.890 29.739 0.151 18612 14267 1 20 . 1 1 151 151 ARG H H 151 9.048 9.048 8.777 0.271 18612 14268 1 20 . 1 1 152 152 ARG N N 152 124.828 124.828 118.004 6.824 18612 14269 1 20 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.747 -0.081 18612 14270 1 20 . 1 1 152 152 ARG CA C 152 60.030 60.030 59.883 0.147 18612 14271 1 20 . 1 1 152 152 ARG CB C 152 30.010 30.010 27.512 2.498 18612 14272 1 20 . 1 1 152 152 ARG H H 152 8.582 8.582 8.850 -0.268 18612 14273 1 20 . 1 1 153 153 GLU N N 153 116.730 116.730 118.638 -1.908 18612 14274 1 20 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.038 0.162 18612 14275 1 20 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.436 -0.466 18612 14276 1 20 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.524 -0.944 18612 14277 1 20 . 1 1 153 153 GLU H H 153 9.924 9.924 8.474 1.450 18612 14278 1 20 . 1 1 154 154 ASP N N 154 119.318 119.318 119.147 0.171 18612 14279 1 20 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.437 0.581 18612 14280 1 20 . 1 1 154 154 ASP CA C 154 54.392 54.392 57.278 -2.886 18612 14281 1 20 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.133 2.157 18612 14282 1 20 . 1 1 154 154 ASP H H 154 7.758 7.758 8.546 -0.788 18612 14283 1 20 . 1 1 155 155 LEU N N 155 121.863 121.863 120.349 1.514 18612 14284 1 20 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.012 -0.197 18612 14285 1 20 . 1 1 155 155 LEU CA C 155 59.170 59.170 58.008 1.163 18612 14286 1 20 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.998 0.630 18612 14287 1 20 . 1 1 155 155 LEU H H 155 7.315 7.315 7.743 -0.428 18612 14288 1 20 . 1 1 156 156 VAL N N 156 118.555 118.555 118.833 -0.278 18612 14289 1 20 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.585 -0.330 18612 14290 1 20 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.682 0.978 18612 14291 1 20 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.450 -0.220 18612 14292 1 20 . 1 1 156 156 VAL H H 156 8.490 8.490 7.621 0.869 18612 14293 1 20 . 1 1 157 157 GLU N N 157 118.568 118.568 119.944 -1.376 18612 14294 1 20 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.069 -0.159 18612 14295 1 20 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.706 -0.286 18612 14296 1 20 . 1 1 157 157 GLU H H 157 8.138 8.138 8.263 -0.125 18612 14297 1 20 . 1 1 158 158 GLU N N 158 118.484 118.484 120.131 -1.647 18612 14298 1 20 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.045 0.095 18612 14299 1 20 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.576 -2.286 18612 14300 1 20 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.722 -0.248 18612 14301 1 20 . 1 1 158 158 GLU H H 158 8.138 8.138 8.119 0.019 18612 14302 1 20 . 1 1 159 159 ILE N N 159 119.508 119.508 118.375 1.133 18612 14303 1 20 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.728 -0.300 18612 14304 1 20 . 1 1 159 159 ILE CA C 159 65.890 65.890 64.978 0.911 18612 14305 1 20 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.825 -7.824 18612 14306 1 20 . 1 1 159 159 ILE H H 159 8.482 8.482 7.807 0.675 18612 14307 1 20 . 1 1 160 160 LYS N N 160 121.513 121.513 119.495 2.018 18612 14308 1 20 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.888 -0.110 18612 14309 1 20 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.680 1.170 18612 14310 1 20 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.360 -0.110 18612 14311 1 20 . 1 1 160 160 LYS H H 160 8.424 8.424 7.825 0.599 18612 14312 1 20 . 1 1 161 161 ARG N N 161 118.966 118.966 117.640 1.326 18612 14313 1 20 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.109 -0.040 18612 14314 1 20 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.642 0.688 18612 14315 1 20 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.365 0.527 18612 14316 1 20 . 1 1 161 161 ARG H H 161 8.248 8.248 8.070 0.178 18612 14317 1 20 . 1 1 162 162 ARG N N 162 117.033 117.033 116.398 0.635 18612 14318 1 20 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.157 0.085 18612 14319 1 20 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.674 -0.616 18612 14320 1 20 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.720 1.070 18612 14321 1 20 . 1 1 162 162 ARG H H 162 7.811 7.811 7.818 -0.007 18612 14322 1 20 . 1 1 163 163 THR N N 163 108.588 108.588 108.396 0.192 18612 14323 1 20 . 1 1 163 163 THR HA H 163 4.549 4.549 4.078 0.471 18612 14324 1 20 . 1 1 163 163 THR CA C 163 61.820 61.820 63.669 -1.849 18612 14325 1 20 . 1 1 163 163 THR CB C 163 70.020 70.020 67.951 2.069 18612 14326 1 20 . 1 1 163 163 THR H H 163 7.831 7.831 8.344 -0.513 18612 14327 1 20 . 1 1 164 164 GLY N N 164 110.640 110.640 108.628 2.012 18612 14328 1 20 . 1 1 164 164 GLY CA C 164 45.713 45.713 45.239 0.474 18612 14329 1 20 . 1 1 164 164 GLY H H 164 7.847 7.847 7.254 0.593 18612 14330 1 20 . 1 1 165 165 GLN N N 165 120.993 120.993 119.713 1.280 18612 14331 1 20 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.096 -0.154 18612 14332 1 20 . 1 1 165 165 GLN CA C 165 56.077 56.077 55.295 0.782 18612 14333 1 20 . 1 1 165 165 GLN CB C 165 29.569 29.569 27.543 2.026 18612 14334 1 20 . 1 1 165 165 GLN H H 165 8.141 8.141 8.531 -0.390 18612 14335 1 20 . 1 1 167 167 LEU N N 167 122.540 122.540 116.911 5.629 18612 14336 1 20 . 1 1 167 167 LEU H H 167 8.370 8.370 8.247 0.123 18612 14337 1 20 . 1 1 168 168 SER N N 168 116.635 116.635 116.083 0.552 18612 14338 1 20 . 1 1 168 168 SER H H 168 8.269 8.269 7.623 0.646 18612 14339 1 20 . 1 1 169 169 ILE N N 169 122.767 122.767 117.737 5.030 18612 14340 1 20 . 1 1 169 169 ILE H H 169 8.165 8.165 8.157 0.008 18612 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 145 2.780 -1.103 2.561 18612 2 1 1 "Average Difference" HA 157 0.286 0.005 0.287 18612 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18612 4 1 1 "Average Difference" CA 146 1.384 -0.068 1.387 18612 5 1 1 "Average Difference" CB 138 1.581 0.055 1.586 18612 6 1 1 "Average Difference" HN 145 0.438 -0.074 0.433 18612 7 1 2 "Average Difference" N 145 2.713 -0.761 2.613 18612 8 1 2 "Average Difference" HA 157 0.275 0.009 0.276 18612 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18612 10 1 2 "Average Difference" CA 146 1.330 -0.043 1.334 18612 11 1 2 "Average Difference" CB 138 1.575 -0.017 1.581 18612 12 1 2 "Average Difference" HN 145 0.507 -0.103 0.498 18612 13 1 3 "Average Difference" N 145 2.557 -0.770 2.447 18612 14 1 3 "Average Difference" HA 157 0.283 -0.010 0.284 18612 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18612 16 1 3 "Average Difference" CA 146 1.350 -0.101 1.351 18612 17 1 3 "Average Difference" CB 138 1.460 -0.144 1.458 18612 18 1 3 "Average Difference" HN 145 0.527 -0.104 0.519 18612 19 1 4 "Average Difference" N 145 2.634 -0.634 2.565 18612 20 1 4 "Average Difference" HA 157 0.257 0.017 0.257 18612 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18612 22 1 4 "Average Difference" CA 146 1.333 -0.101 1.334 18612 23 1 4 "Average Difference" CB 138 1.607 -0.039 1.613 18612 24 1 4 "Average Difference" HN 145 0.471 -0.088 0.465 18612 25 1 5 "Average Difference" N 145 2.790 -0.660 2.721 18612 26 1 5 "Average Difference" HA 157 0.258 0.002 0.259 18612 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18612 28 1 5 "Average Difference" CA 146 1.378 -0.056 1.381 18612 29 1 5 "Average Difference" CB 138 1.649 -0.021 1.655 18612 30 1 5 "Average Difference" HN 145 0.459 -0.094 0.451 18612 31 1 6 "Average Difference" N 145 2.955 -1.045 2.773 18612 32 1 6 "Average Difference" HA 157 0.290 0.002 0.291 18612 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18612 34 1 6 "Average Difference" CA 146 1.358 -0.017 1.363 18612 35 1 6 "Average Difference" CB 138 1.420 0.012 1.425 18612 36 1 6 "Average Difference" HN 145 0.463 -0.073 0.458 18612 37 1 7 "Average Difference" N 145 2.948 -0.875 2.825 18612 38 1 7 "Average Difference" HA 157 0.282 0.029 0.282 18612 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18612 40 1 7 "Average Difference" CA 146 1.412 -0.155 1.409 18612 41 1 7 "Average Difference" CB 138 1.549 -0.030 1.554 18612 42 1 7 "Average Difference" HN 145 0.453 -0.083 0.447 18612 43 1 8 "Average Difference" N 145 2.752 -0.562 2.703 18612 44 1 8 "Average Difference" HA 157 0.265 -0.018 0.265 18612 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18612 46 1 8 "Average Difference" CA 146 1.470 -0.004 1.475 18612 47 1 8 "Average Difference" CB 138 1.630 -0.012 1.636 18612 48 1 8 "Average Difference" HN 145 0.452 -0.088 0.445 18612 49 1 9 "Average Difference" N 145 2.988 -0.771 2.897 18612 50 1 9 "Average Difference" HA 157 0.285 0.012 0.286 18612 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18612 52 1 9 "Average Difference" CA 146 1.367 -0.056 1.371 18612 53 1 9 "Average Difference" CB 138 1.687 0.033 1.693 18612 54 1 9 "Average Difference" HN 145 0.444 -0.061 0.441 18612 55 1 10 "Average Difference" N 145 2.758 -1.033 2.566 18612 56 1 10 "Average Difference" HA 157 0.295 0.023 0.295 18612 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18612 58 1 10 "Average Difference" CA 146 1.421 -0.126 1.420 18612 59 1 10 "Average Difference" CB 138 1.641 -0.054 1.646 18612 60 1 10 "Average Difference" HN 145 0.494 -0.137 0.476 18612 61 1 11 "Average Difference" N 145 3.251 -1.161 3.047 18612 62 1 11 "Average Difference" HA 157 0.255 0.042 0.252 18612 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18612 64 1 11 "Average Difference" CA 146 1.439 -0.058 1.443 18612 65 1 11 "Average Difference" CB 138 1.535 0.063 1.539 18612 66 1 11 "Average Difference" HN 145 0.430 -0.074 0.425 18612 67 1 12 "Average Difference" N 145 2.861 -0.866 2.736 18612 68 1 12 "Average Difference" HA 157 0.291 0.018 0.291 18612 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18612 70 1 12 "Average Difference" CA 146 1.367 -0.124 1.367 18612 71 1 12 "Average Difference" CB 138 1.505 0.013 1.510 18612 72 1 12 "Average Difference" HN 145 0.438 -0.059 0.435 18612 73 1 13 "Average Difference" N 145 2.889 -0.999 2.720 18612 74 1 13 "Average Difference" HA 157 0.268 0.016 0.268 18612 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18612 76 1 13 "Average Difference" CA 146 1.373 -0.108 1.373 18612 77 1 13 "Average Difference" CB 138 1.484 0.098 1.486 18612 78 1 13 "Average Difference" HN 145 0.470 -0.074 0.466 18612 79 1 14 "Average Difference" N 145 2.840 -0.990 2.672 18612 80 1 14 "Average Difference" HA 157 0.285 0.007 0.286 18612 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18612 82 1 14 "Average Difference" CA 146 1.413 0.051 1.417 18612 83 1 14 "Average Difference" CB 138 1.581 -0.155 1.579 18612 84 1 14 "Average Difference" HN 145 0.475 -0.108 0.464 18612 85 1 15 "Average Difference" N 145 2.851 -0.800 2.746 18612 86 1 15 "Average Difference" HA 157 0.286 0.004 0.287 18612 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18612 88 1 15 "Average Difference" CA 146 1.457 -0.027 1.462 18612 89 1 15 "Average Difference" CB 138 1.649 -0.003 1.655 18612 90 1 15 "Average Difference" HN 145 0.462 -0.075 0.458 18612 91 1 16 "Average Difference" N 145 2.677 -1.008 2.489 18612 92 1 16 "Average Difference" HA 157 0.289 0.025 0.289 18612 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18612 94 1 16 "Average Difference" CA 146 1.411 -0.046 1.415 18612 95 1 16 "Average Difference" CB 138 1.568 -0.003 1.573 18612 96 1 16 "Average Difference" HN 145 0.460 -0.084 0.454 18612 97 1 17 "Average Difference" N 145 2.968 -1.098 2.768 18612 98 1 17 "Average Difference" HA 157 0.263 0.002 0.264 18612 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18612 100 1 17 "Average Difference" CA 146 1.449 -0.046 1.453 18612 101 1 17 "Average Difference" CB 138 1.550 -0.033 1.555 18612 102 1 17 "Average Difference" HN 145 0.458 -0.070 0.454 18612 103 1 18 "Average Difference" N 145 2.816 -1.090 2.606 18612 104 1 18 "Average Difference" HA 157 0.291 0.013 0.292 18612 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18612 106 1 18 "Average Difference" CA 146 1.490 -0.005 1.495 18612 107 1 18 "Average Difference" CB 138 1.646 -0.066 1.650 18612 108 1 18 "Average Difference" HN 145 0.487 -0.112 0.476 18612 109 1 19 "Average Difference" N 145 2.860 -1.000 2.688 18612 110 1 19 "Average Difference" HA 157 0.277 0.002 0.277 18612 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18612 112 1 19 "Average Difference" CA 146 1.451 -0.040 1.455 18612 113 1 19 "Average Difference" CB 138 1.558 0.023 1.564 18612 114 1 19 "Average Difference" HN 145 0.482 -0.107 0.472 18612 115 1 20 "Average Difference" N 145 2.709 -1.051 2.505 18612 116 1 20 "Average Difference" HA 157 0.282 -0.020 0.282 18612 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18612 118 1 20 "Average Difference" CA 146 1.390 0.041 1.395 18612 119 1 20 "Average Difference" CB 138 1.551 -0.086 1.554 18612 120 1 20 "Average Difference" HN 145 0.491 -0.092 0.484 18612 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 18612 _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 GLU N N 2 120.329 120.329 120.558 -0.229 18612 2 1 . 1 1 2 2 GLU HA H 2 4.142 4.142 4.312 -0.170 18612 3 1 . 1 1 2 2 GLU CA C 2 59.070 59.070 57.362 1.708 18612 4 1 . 1 1 2 2 GLU CB C 2 29.500 29.500 30.180 -0.680 18612 5 1 . 1 1 2 2 GLU H H 2 8.498 8.498 8.647 -0.149 18612 6 1 . 1 1 3 3 ARG N N 3 121.547 121.547 120.262 1.285 18612 7 1 . 1 1 3 3 ARG HA H 3 4.024 4.024 4.034 -0.010 18612 8 1 . 1 1 3 3 ARG CA C 3 59.240 59.240 59.236 0.004 18612 9 1 . 1 1 3 3 ARG CB C 3 29.950 29.950 29.895 0.055 18612 10 1 . 1 1 3 3 ARG H H 3 8.238 8.238 8.442 -0.204 18612 11 1 . 1 1 4 4 ALA N N 4 121.449 121.449 121.320 0.129 18612 12 1 . 1 1 4 4 ALA HA H 4 4.203 4.203 4.119 0.084 18612 13 1 . 1 1 4 4 ALA CA C 4 55.039 55.039 55.036 0.003 18612 14 1 . 1 1 4 4 ALA CB C 4 17.910 17.910 18.025 -0.115 18612 15 1 . 1 1 4 4 ALA H H 4 8.068 8.068 8.401 -0.333 18612 16 1 . 1 1 5 5 ALA N N 5 121.000 121.000 121.297 -0.297 18612 17 1 . 1 1 5 5 ALA HA H 5 4.218 4.218 4.186 0.032 18612 18 1 . 1 1 5 5 ALA CA C 5 54.743 54.743 54.726 0.017 18612 19 1 . 1 1 5 5 ALA CB C 5 18.410 18.410 18.258 0.152 18612 20 1 . 1 1 5 5 ALA H H 5 7.831 7.831 7.935 -0.104 18612 21 1 . 1 1 6 6 LEU N N 6 121.402 121.402 118.680 2.722 18612 22 1 . 1 1 6 6 LEU HA H 6 4.161 4.161 3.999 0.162 18612 23 1 . 1 1 6 6 LEU CA C 6 57.950 57.950 58.101 -0.151 18612 24 1 . 1 1 6 6 LEU CB C 6 42.041 42.041 41.317 0.724 18612 25 1 . 1 1 6 6 LEU H H 6 7.919 7.919 7.926 -0.007 18612 26 1 . 1 1 7 7 GLU N N 7 119.203 119.203 119.624 -0.421 18612 27 1 . 1 1 7 7 GLU HA H 7 3.858 3.858 3.876 -0.018 18612 28 1 . 1 1 7 7 GLU CA C 7 60.230 60.230 60.208 0.022 18612 29 1 . 1 1 7 7 GLU CB C 7 29.540 29.540 29.547 -0.007 18612 30 1 . 1 1 7 7 GLU H H 7 8.706 8.706 8.503 0.203 18612 31 1 . 1 1 8 8 GLU N N 8 120.194 120.194 119.201 0.993 18612 32 1 . 1 1 8 8 GLU HA H 8 4.195 4.195 4.096 0.098 18612 33 1 . 1 1 8 8 GLU CA C 8 59.170 59.170 58.834 0.336 18612 34 1 . 1 1 8 8 GLU CB C 8 29.460 29.460 29.218 0.242 18612 35 1 . 1 1 8 8 GLU H H 8 7.761 7.761 7.881 -0.120 18612 36 1 . 1 1 9 9 LEU N N 9 120.526 120.526 120.786 -0.260 18612 37 1 . 1 1 9 9 LEU HA H 9 4.164 4.164 4.064 0.100 18612 38 1 . 1 1 9 9 LEU CA C 9 58.120 58.120 58.016 0.104 18612 39 1 . 1 1 9 9 LEU CB C 9 41.788 41.788 41.973 -0.185 18612 40 1 . 1 1 9 9 LEU H H 9 7.913 7.913 7.834 0.079 18612 41 1 . 1 1 10 10 VAL N N 10 120.804 120.804 119.697 1.107 18612 42 1 . 1 1 10 10 VAL HA H 10 3.457 3.457 3.515 -0.058 18612 43 1 . 1 1 10 10 VAL CA C 10 67.030 67.030 66.366 0.664 18612 44 1 . 1 1 10 10 VAL CB C 10 32.047 32.047 31.206 0.840 18612 45 1 . 1 1 10 10 VAL H H 10 8.570 8.570 8.188 0.382 18612 46 1 . 1 1 11 11 LYS N N 11 123.175 123.175 120.457 2.718 18612 47 1 . 1 1 11 11 LYS HA H 11 4.044 4.044 3.955 0.089 18612 48 1 . 1 1 11 11 LYS CA C 11 59.870 59.870 60.078 -0.209 18612 49 1 . 1 1 11 11 LYS CB C 11 32.392 32.392 32.336 0.056 18612 50 1 . 1 1 11 11 LYS H H 11 7.909 7.909 7.662 0.247 18612 51 1 . 1 1 12 12 LEU N N 12 120.772 120.772 116.859 3.913 18612 52 1 . 1 1 12 12 LEU HA H 12 4.106 4.106 4.136 -0.031 18612 53 1 . 1 1 12 12 LEU CA C 12 57.920 57.920 57.634 0.286 18612 54 1 . 1 1 12 12 LEU CB C 12 41.837 41.837 41.366 0.472 18612 55 1 . 1 1 12 12 LEU H H 12 8.436 8.436 7.796 0.640 18612 56 1 . 1 1 13 13 GLN N N 13 121.677 121.677 119.906 1.771 18612 57 1 . 1 1 13 13 GLN HA H 13 4.334 4.334 4.089 0.245 18612 58 1 . 1 1 13 13 GLN CA C 13 57.400 57.400 59.443 -2.043 18612 59 1 . 1 1 13 13 GLN CB C 13 26.520 26.520 28.338 -1.818 18612 60 1 . 1 1 13 13 GLN H H 13 8.710 8.710 7.771 0.939 18612 61 1 . 1 1 14 14 GLY N N 14 109.543 109.543 107.642 1.901 18612 62 1 . 1 1 14 14 GLY CA C 14 47.563 47.563 46.960 0.603 18612 63 1 . 1 1 14 14 GLY H H 14 8.714 8.714 8.655 0.059 18612 64 1 . 1 1 15 15 GLU N N 15 123.144 123.144 121.800 1.344 18612 65 1 . 1 1 15 15 GLU HA H 15 4.148 4.148 3.997 0.151 18612 66 1 . 1 1 15 15 GLU CA C 15 58.970 58.970 59.602 -0.632 18612 67 1 . 1 1 15 15 GLU CB C 15 29.460 29.460 29.490 -0.030 18612 68 1 . 1 1 15 15 GLU H H 15 7.913 7.913 7.908 0.005 18612 69 1 . 1 1 16 16 ARG N N 16 123.135 123.135 119.971 3.164 18612 70 1 . 1 1 16 16 ARG HA H 16 4.138 4.138 4.098 0.040 18612 71 1 . 1 1 16 16 ARG CA C 16 58.970 58.970 59.281 -0.311 18612 72 1 . 1 1 16 16 ARG CB C 16 29.400 29.400 30.289 -0.889 18612 73 1 . 1 1 16 16 ARG H H 16 8.104 8.104 7.756 0.348 18612 74 1 . 1 1 17 17 VAL N N 17 119.501 119.501 119.809 -0.308 18612 75 1 . 1 1 17 17 VAL HA H 17 3.413 3.413 3.637 -0.224 18612 76 1 . 1 1 17 17 VAL CA C 17 67.450 67.450 66.509 0.941 18612 77 1 . 1 1 17 17 VAL CB C 17 32.058 32.058 31.503 0.555 18612 78 1 . 1 1 17 17 VAL H H 17 8.192 8.192 8.192 -0.001 18612 79 1 . 1 1 18 18 ARG N N 18 119.372 119.372 119.424 -0.052 18612 80 1 . 1 1 18 18 ARG HA H 18 3.934 3.934 4.033 -0.099 18612 81 1 . 1 1 18 18 ARG CA C 18 60.060 60.060 59.756 0.305 18612 82 1 . 1 1 18 18 ARG CB C 18 30.272 30.272 29.859 0.412 18612 83 1 . 1 1 18 18 ARG H H 18 7.980 7.980 8.323 -0.343 18612 84 1 . 1 1 19 19 GLY N N 19 107.241 107.241 107.087 0.154 18612 85 1 . 1 1 19 19 GLY CA C 19 47.362 47.362 46.873 0.489 18612 86 1 . 1 1 19 19 GLY H H 19 8.362 8.362 7.966 0.396 18612 87 1 . 1 1 20 20 LEU N N 20 122.627 122.627 121.141 1.486 18612 88 1 . 1 1 20 20 LEU HA H 20 4.049 4.049 4.303 -0.254 18612 89 1 . 1 1 20 20 LEU CA C 20 57.890 57.890 57.472 0.418 18612 90 1 . 1 1 20 20 LEU CB C 20 42.420 42.420 41.875 0.545 18612 91 1 . 1 1 20 20 LEU H H 20 8.049 8.049 8.130 -0.081 18612 92 1 . 1 1 21 21 LYS N N 21 118.255 118.255 120.074 -1.819 18612 93 1 . 1 1 21 21 LYS HA H 21 4.058 4.058 3.948 0.110 18612 94 1 . 1 1 21 21 LYS CA C 21 60.010 60.010 59.556 0.454 18612 95 1 . 1 1 21 21 LYS CB C 21 32.594 32.594 32.165 0.430 18612 96 1 . 1 1 21 21 LYS H H 21 8.123 8.123 8.417 -0.294 18612 97 1 . 1 1 22 22 GLN N N 22 121.183 121.183 117.648 3.535 18612 98 1 . 1 1 22 22 GLN HA H 22 4.087 4.087 4.183 -0.096 18612 99 1 . 1 1 22 22 GLN CA C 22 58.760 58.760 58.397 0.363 18612 100 1 . 1 1 22 22 GLN CB C 22 28.600 28.600 29.000 -0.400 18612 101 1 . 1 1 22 22 GLN H H 22 8.234 8.234 7.712 0.522 18612 102 1 . 1 1 23 23 GLN N N 23 116.219 116.219 117.715 -1.496 18612 103 1 . 1 1 23 23 GLN HA H 23 4.263 4.263 4.272 -0.009 18612 104 1 . 1 1 23 23 GLN CA C 23 55.678 55.678 57.353 -1.675 18612 105 1 . 1 1 23 23 GLN CB C 23 29.270 29.270 29.709 -0.439 18612 106 1 . 1 1 23 23 GLN H H 23 7.820 7.820 7.849 -0.029 18612 107 1 . 1 1 24 24 LYS N N 24 117.349 117.349 116.264 1.085 18612 108 1 . 1 1 24 24 LYS HA H 24 3.912 3.912 4.503 -0.591 18612 109 1 . 1 1 24 24 LYS CA C 24 57.030 57.030 55.466 1.563 18612 110 1 . 1 1 24 24 LYS CB C 24 28.850 28.850 33.369 -4.519 18612 111 1 . 1 1 24 24 LYS H H 24 7.884 7.884 8.033 -0.149 18612 112 1 . 1 1 25 25 ALA N N 25 119.909 119.909 122.867 -2.958 18612 113 1 . 1 1 25 25 ALA HA H 25 4.279 4.279 4.107 0.172 18612 114 1 . 1 1 25 25 ALA CA C 25 52.020 52.020 53.587 -1.567 18612 115 1 . 1 1 25 25 ALA CB C 25 21.320 21.320 17.824 3.496 18612 116 1 . 1 1 25 25 ALA H H 25 7.620 7.620 7.804 -0.184 18612 117 1 . 1 1 26 26 SER N N 26 113.188 113.188 113.533 -0.345 18612 118 1 . 1 1 26 26 SER HA H 26 4.244 4.244 4.209 0.035 18612 119 1 . 1 1 26 26 SER CA C 26 58.390 58.390 58.893 -0.503 18612 120 1 . 1 1 26 26 SER CB C 26 63.830 63.830 62.783 1.047 18612 121 1 . 1 1 26 26 SER H H 26 8.228 8.228 8.332 -0.104 18612 122 1 . 1 1 27 27 ALA N N 27 127.550 127.550 123.721 3.829 18612 123 1 . 1 1 27 27 ALA HA H 27 3.984 3.984 3.971 0.013 18612 124 1 . 1 1 27 27 ALA CA C 27 55.582 55.582 54.611 0.971 18612 125 1 . 1 1 27 27 ALA CB C 27 18.770 18.770 17.841 0.929 18612 126 1 . 1 1 27 27 ALA H H 27 8.769 8.769 8.440 0.329 18612 127 1 . 1 1 28 28 GLU N N 28 117.317 117.317 118.913 -1.596 18612 128 1 . 1 1 28 28 GLU HA H 28 4.074 4.074 4.122 -0.048 18612 129 1 . 1 1 28 28 GLU CA C 28 59.700 59.700 59.193 0.507 18612 130 1 . 1 1 28 28 GLU CB C 28 29.080 29.080 29.438 -0.358 18612 131 1 . 1 1 28 28 GLU H H 28 8.830 8.830 8.415 0.415 18612 132 1 . 1 1 29 29 LEU N N 29 122.971 122.971 119.508 3.463 18612 133 1 . 1 1 29 29 LEU HA H 29 4.311 4.311 4.233 0.078 18612 134 1 . 1 1 29 29 LEU CA C 29 57.570 57.570 57.662 -0.092 18612 135 1 . 1 1 29 29 LEU CB C 29 41.605 41.605 41.535 0.070 18612 136 1 . 1 1 29 29 LEU H H 29 7.401 7.401 7.904 -0.503 18612 137 1 . 1 1 30 30 ILE N N 30 118.784 118.784 119.926 -1.142 18612 138 1 . 1 1 30 30 ILE HA H 30 3.397 3.397 3.629 -0.232 18612 139 1 . 1 1 30 30 ILE CA C 30 66.310 66.310 65.063 1.247 18612 140 1 . 1 1 30 30 ILE CB C 30 37.823 37.823 37.320 0.503 18612 141 1 . 1 1 30 30 ILE H H 30 8.019 8.019 8.552 -0.533 18612 142 1 . 1 1 31 31 GLU N N 31 118.215 118.215 119.323 -1.109 18612 143 1 . 1 1 31 31 GLU HA H 31 3.968 3.968 3.981 -0.013 18612 144 1 . 1 1 31 31 GLU CA C 31 59.840 59.840 59.835 0.005 18612 145 1 . 1 1 31 31 GLU CB C 31 29.440 29.440 29.316 0.124 18612 146 1 . 1 1 31 31 GLU H H 31 8.367 8.367 8.319 0.048 18612 147 1 . 1 1 32 32 GLU N N 32 120.284 120.284 119.667 0.617 18612 148 1 . 1 1 32 32 GLU HA H 32 4.154 4.154 4.044 0.110 18612 149 1 . 1 1 32 32 GLU CA C 32 59.380 59.380 59.586 -0.206 18612 150 1 . 1 1 32 32 GLU CB C 32 29.840 29.840 29.571 0.269 18612 151 1 . 1 1 32 32 GLU H H 32 7.667 7.667 7.842 -0.175 18612 152 1 . 1 1 33 33 GLU N N 33 120.010 120.010 119.179 0.831 18612 153 1 . 1 1 33 33 GLU HA H 33 4.218 4.218 4.100 0.118 18612 154 1 . 1 1 33 33 GLU CA C 33 58.380 58.380 59.277 -0.897 18612 155 1 . 1 1 33 33 GLU CB C 33 28.180 28.180 29.692 -1.513 18612 156 1 . 1 1 33 33 GLU H H 33 8.156 8.156 8.268 -0.112 18612 157 1 . 1 1 34 34 VAL N N 34 125.322 125.322 119.301 6.021 18612 158 1 . 1 1 34 34 VAL HA H 34 3.642 3.642 3.662 -0.020 18612 159 1 . 1 1 34 34 VAL CA C 34 66.850 66.850 66.365 0.485 18612 160 1 . 1 1 34 34 VAL CB C 34 31.840 31.840 31.112 0.728 18612 161 1 . 1 1 34 34 VAL H H 34 9.243 9.243 8.084 1.159 18612 162 1 . 1 1 35 35 ALA N N 35 123.214 123.214 122.100 1.114 18612 163 1 . 1 1 35 35 ALA HA H 35 4.098 4.098 3.966 0.132 18612 164 1 . 1 1 35 35 ALA CA C 35 55.742 55.742 55.404 0.338 18612 165 1 . 1 1 35 35 ALA CB C 35 17.250 17.250 18.284 -1.034 18612 166 1 . 1 1 35 35 ALA H H 35 8.160 8.160 8.064 0.096 18612 167 1 . 1 1 36 36 LYS N N 36 117.979 117.979 118.830 -0.851 18612 168 1 . 1 1 36 36 LYS HA H 36 3.995 3.995 4.016 -0.021 18612 169 1 . 1 1 36 36 LYS CA C 36 59.800 59.800 59.349 0.451 18612 170 1 . 1 1 36 36 LYS CB C 36 32.862 32.862 32.298 0.564 18612 171 1 . 1 1 36 36 LYS H H 36 7.607 7.607 7.722 -0.115 18612 172 1 . 1 1 37 37 LEU N N 37 120.957 120.957 121.042 -0.085 18612 173 1 . 1 1 37 37 LEU HA H 37 4.003 4.003 4.071 -0.068 18612 174 1 . 1 1 37 37 LEU CA C 37 58.510 58.510 58.140 0.370 18612 175 1 . 1 1 37 37 LEU CB C 37 42.030 42.030 41.792 0.238 18612 176 1 . 1 1 37 37 LEU H H 37 7.762 7.762 8.017 -0.255 18612 177 1 . 1 1 38 38 LEU N N 38 118.910 118.910 119.875 -0.965 18612 178 1 . 1 1 38 38 LEU HA H 38 3.976 3.976 3.886 0.090 18612 179 1 . 1 1 38 38 LEU CA C 38 58.270 58.270 58.250 0.020 18612 180 1 . 1 1 38 38 LEU CB C 38 40.958 40.958 41.136 -0.178 18612 181 1 . 1 1 38 38 LEU H H 38 8.636 8.636 7.883 0.753 18612 182 1 . 1 1 39 39 LYS N N 39 120.804 120.804 118.938 1.866 18612 183 1 . 1 1 39 39 LYS HA H 39 4.080 4.080 4.002 0.078 18612 184 1 . 1 1 39 39 LYS CA C 39 59.451 59.451 59.197 0.254 18612 185 1 . 1 1 39 39 LYS CB C 39 32.658 32.658 32.118 0.540 18612 186 1 . 1 1 39 39 LYS H H 39 7.864 7.864 7.699 0.165 18612 187 1 . 1 1 40 40 LEU N N 40 120.940 120.940 120.827 0.114 18612 188 1 . 1 1 40 40 LEU HA H 40 4.110 4.110 4.006 0.104 18612 189 1 . 1 1 40 40 LEU CA C 40 57.940 57.940 58.206 -0.266 18612 190 1 . 1 1 40 40 LEU CB C 40 43.086 43.086 41.722 1.364 18612 191 1 . 1 1 40 40 LEU H H 40 7.831 7.831 8.156 -0.325 18612 192 1 . 1 1 41 41 LYS N N 41 117.563 117.563 118.778 -1.215 18612 193 1 . 1 1 41 41 LYS HA H 41 3.850 3.850 3.922 -0.072 18612 194 1 . 1 1 41 41 LYS CA C 41 60.080 60.080 59.609 0.471 18612 195 1 . 1 1 41 41 LYS CB C 41 32.503 32.503 31.933 0.570 18612 196 1 . 1 1 41 41 LYS H H 41 8.493 8.493 8.209 0.284 18612 197 1 . 1 1 42 42 ALA N N 42 121.396 121.396 121.108 0.288 18612 198 1 . 1 1 42 42 ALA HA H 42 4.189 4.189 4.132 0.057 18612 199 1 . 1 1 42 42 ALA CA C 42 54.280 54.280 54.427 -0.147 18612 200 1 . 1 1 42 42 ALA CB C 42 17.900 17.900 18.225 -0.325 18612 201 1 . 1 1 42 42 ALA H H 42 7.918 7.918 7.669 0.249 18612 202 1 . 1 1 43 43 GLN N N 43 116.883 116.883 117.900 -1.017 18612 203 1 . 1 1 43 43 GLN HA H 43 4.136 4.136 4.094 0.042 18612 204 1 . 1 1 43 43 GLN CA C 43 57.410 57.410 58.275 -0.865 18612 205 1 . 1 1 43 43 GLN CB C 43 29.580 29.580 28.891 0.689 18612 206 1 . 1 1 43 43 GLN H H 43 7.591 7.591 7.614 -0.023 18612 207 1 . 1 1 44 44 LEU N N 44 119.828 119.828 117.562 2.266 18612 208 1 . 1 1 44 44 LEU HA H 44 4.208 4.208 4.053 0.155 18612 209 1 . 1 1 44 44 LEU CA C 44 56.077 56.077 56.764 -0.687 18612 210 1 . 1 1 44 44 LEU CB C 44 42.427 42.427 42.043 0.384 18612 211 1 . 1 1 44 44 LEU H H 44 7.574 7.574 7.683 -0.109 18612 212 1 . 1 1 45 45 GLY N N 45 106.906 106.906 105.466 1.440 18612 213 1 . 1 1 45 45 GLY CA C 45 44.524 44.524 44.117 0.407 18612 214 1 . 1 1 45 45 GLY H H 45 7.687 7.687 7.633 0.054 18612 215 1 . 1 1 46 46 PRO HA H 46 4.447 4.447 4.478 -0.031 18612 216 1 . 1 1 46 46 PRO CA C 46 63.110 63.110 62.832 0.278 18612 217 1 . 1 1 46 46 PRO CB C 46 32.430 32.430 32.289 0.141 18612 218 1 . 1 1 47 47 ASP N N 47 121.060 121.060 119.892 1.168 18612 219 1 . 1 1 47 47 ASP HA H 47 4.578 4.578 4.656 -0.078 18612 220 1 . 1 1 47 47 ASP CA C 47 54.482 54.482 54.263 0.219 18612 221 1 . 1 1 47 47 ASP CB C 47 41.003 41.003 42.129 -1.126 18612 222 1 . 1 1 47 47 ASP H H 47 8.446 8.446 8.377 0.069 18612 223 1 . 1 1 48 48 GLU N N 48 123.347 123.347 122.808 0.539 18612 224 1 . 1 1 48 48 GLU HA H 48 4.244 4.244 4.332 -0.088 18612 225 1 . 1 1 48 48 GLU CA C 48 56.930 56.930 57.363 -0.433 18612 226 1 . 1 1 48 48 GLU CB C 48 30.547 30.547 30.344 0.203 18612 227 1 . 1 1 48 48 GLU H H 48 8.577 8.577 8.663 -0.086 18612 228 1 . 1 1 49 49 SER N N 49 116.751 116.751 115.498 1.253 18612 229 1 . 1 1 49 49 SER HA H 49 4.349 4.349 4.268 0.081 18612 230 1 . 1 1 49 49 SER CA C 49 59.380 59.380 59.862 -0.482 18612 231 1 . 1 1 49 49 SER CB C 49 63.460 63.460 63.307 0.153 18612 232 1 . 1 1 49 49 SER H H 49 8.399 8.399 8.243 0.156 18612 233 1 . 1 1 50 50 LYS N N 50 121.935 121.935 121.350 0.585 18612 234 1 . 1 1 50 50 LYS HA H 50 4.441 4.441 4.194 0.247 18612 235 1 . 1 1 50 50 LYS CA C 50 56.520 56.520 57.181 -0.661 18612 236 1 . 1 1 50 50 LYS CB C 50 30.455 30.455 32.709 -2.254 18612 237 1 . 1 1 50 50 LYS H H 50 8.058 8.058 7.906 0.152 18612 238 1 . 1 1 51 51 GLN N N 51 122.155 122.155 119.701 2.454 18612 239 1 . 1 1 51 51 GLN HA H 51 4.203 4.203 4.279 -0.076 18612 240 1 . 1 1 51 51 GLN CA C 51 57.209 57.209 56.356 0.853 18612 241 1 . 1 1 51 51 GLN CB C 51 30.788 30.788 29.388 1.400 18612 242 1 . 1 1 51 51 GLN H H 51 8.273 8.273 8.234 0.039 18612 243 1 . 1 1 52 52 LYS N N 52 122.761 122.761 120.616 2.145 18612 244 1 . 1 1 52 52 LYS HA H 52 4.315 4.315 4.380 -0.065 18612 245 1 . 1 1 52 52 LYS CA C 52 56.480 56.480 55.950 0.530 18612 246 1 . 1 1 52 52 LYS CB C 52 32.922 32.922 33.454 -0.532 18612 247 1 . 1 1 52 52 LYS H H 52 8.251 8.251 8.212 0.039 18612 248 1 . 1 1 53 53 PHE N N 53 121.326 121.326 120.070 1.256 18612 249 1 . 1 1 53 53 PHE HA H 53 4.644 4.644 4.553 0.091 18612 250 1 . 1 1 53 53 PHE CA C 53 57.640 57.640 57.640 0.000 18612 251 1 . 1 1 53 53 PHE CB C 53 39.588 39.588 39.021 0.567 18612 252 1 . 1 1 53 53 PHE H H 53 8.153 8.153 8.196 -0.043 18612 253 1 . 1 1 54 54 VAL N N 54 122.941 122.941 120.356 2.585 18612 254 1 . 1 1 54 54 VAL HA H 54 4.043 4.043 4.116 -0.073 18612 255 1 . 1 1 54 54 VAL CA C 54 61.980 61.980 62.393 -0.413 18612 256 1 . 1 1 54 54 VAL CB C 54 33.181 33.181 32.403 0.778 18612 257 1 . 1 1 54 54 VAL H H 54 7.960 7.960 7.808 0.152 18612 258 1 . 1 1 55 55 LEU N N 55 126.751 126.751 124.641 2.110 18612 259 1 . 1 1 55 55 LEU HA H 55 4.313 4.313 4.478 -0.165 18612 260 1 . 1 1 55 55 LEU CA C 55 55.060 55.060 54.940 0.120 18612 261 1 . 1 1 55 55 LEU CB C 55 42.315 42.315 42.985 -0.670 18612 262 1 . 1 1 55 55 LEU H H 55 8.226 8.226 8.210 0.016 18612 263 1 . 1 1 56 56 LYS N N 56 123.614 123.614 121.412 2.202 18612 264 1 . 1 1 56 56 LYS HA H 56 4.372 4.372 4.439 -0.067 18612 265 1 . 1 1 56 56 LYS CA C 56 55.912 55.912 56.115 -0.203 18612 266 1 . 1 1 56 56 LYS CB C 56 33.191 33.191 33.343 -0.152 18612 267 1 . 1 1 56 56 LYS H H 56 8.320 8.320 8.285 0.035 18612 268 1 . 1 1 57 57 THR N N 57 115.794 115.794 117.069 -1.275 18612 269 1 . 1 1 57 57 THR HA H 57 4.349 4.349 4.642 -0.293 18612 270 1 . 1 1 57 57 THR CA C 57 58.960 58.960 59.878 -0.918 18612 271 1 . 1 1 57 57 THR CB C 57 70.740 70.740 69.083 1.657 18612 272 1 . 1 1 57 57 THR H H 57 7.892 7.892 8.189 -0.297 18612 273 1 . 1 1 59 59 LYS N N 59 121.755 121.755 120.962 0.793 18612 274 1 . 1 1 59 59 LYS HA H 59 4.227 4.227 4.401 -0.174 18612 275 1 . 1 1 59 59 LYS CA C 59 56.520 56.520 56.032 0.488 18612 276 1 . 1 1 59 59 LYS CB C 59 33.094 33.094 33.259 -0.165 18612 277 1 . 1 1 59 59 LYS H H 59 8.300 8.300 8.235 0.065 18612 278 1 . 1 1 60 60 ALA N N 60 125.263 125.263 124.408 0.855 18612 279 1 . 1 1 60 60 ALA HA H 60 4.278 4.278 4.390 -0.112 18612 280 1 . 1 1 60 60 ALA CA C 60 52.864 52.864 52.667 0.197 18612 281 1 . 1 1 60 60 ALA CB C 60 18.980 18.980 18.994 -0.014 18612 282 1 . 1 1 60 60 ALA H H 60 8.290 8.290 8.334 -0.044 18612 283 1 . 1 1 61 61 LEU N N 61 121.255 121.255 120.927 0.328 18612 284 1 . 1 1 61 61 LEU HA H 61 4.280 4.280 4.328 -0.048 18612 285 1 . 1 1 61 61 LEU CA C 61 55.585 55.585 55.309 0.276 18612 286 1 . 1 1 61 61 LEU CB C 61 42.245 42.245 42.278 -0.033 18612 287 1 . 1 1 61 61 LEU H H 61 8.144 8.144 7.886 0.258 18612 288 1 . 1 1 62 62 GLU N N 62 121.401 121.401 120.456 0.945 18612 289 1 . 1 1 62 62 GLU HA H 62 4.276 4.276 4.309 -0.033 18612 290 1 . 1 1 62 62 GLU CA C 62 56.930 56.930 56.350 0.580 18612 291 1 . 1 1 62 62 GLU CB C 62 30.235 30.235 30.329 -0.094 18612 292 1 . 1 1 62 62 GLU H H 62 8.266 8.266 8.405 -0.139 18612 293 1 . 1 1 64 64 LYS N N 64 120.575 120.575 122.285 -1.710 18612 294 1 . 1 1 64 64 LYS HA H 64 4.244 4.244 4.418 -0.174 18612 295 1 . 1 1 64 64 LYS CA C 64 56.085 56.085 56.260 -0.175 18612 296 1 . 1 1 64 64 LYS CB C 64 29.470 29.470 33.119 -3.649 18612 297 1 . 1 1 64 64 LYS H H 64 8.106 8.106 8.288 -0.182 18612 298 1 . 1 1 65 65 ILE N N 65 122.492 122.492 119.246 3.246 18612 299 1 . 1 1 65 65 ILE HA H 65 4.140 4.140 4.264 -0.124 18612 300 1 . 1 1 65 65 ILE CA C 65 61.180 61.180 61.114 0.066 18612 301 1 . 1 1 65 65 ILE CB C 65 38.550 38.550 39.143 -0.593 18612 302 1 . 1 1 65 65 ILE H H 65 8.135 8.135 8.166 -0.031 18612 303 1 . 1 1 66 66 ARG N N 66 125.714 125.714 122.879 2.835 18612 304 1 . 1 1 66 66 ARG HA H 66 4.468 4.468 4.407 0.061 18612 305 1 . 1 1 66 66 ARG CA C 66 56.067 56.067 56.357 -0.290 18612 306 1 . 1 1 66 66 ARG CB C 66 31.026 31.026 30.471 0.555 18612 307 1 . 1 1 66 66 ARG H H 66 8.402 8.402 8.467 -0.065 18612 308 1 . 1 1 67 67 THR N N 67 115.622 115.622 113.706 1.916 18612 309 1 . 1 1 67 67 THR HA H 67 4.445 4.445 4.411 0.034 18612 310 1 . 1 1 67 67 THR CA C 67 61.650 61.650 62.218 -0.568 18612 311 1 . 1 1 67 67 THR CB C 67 69.620 69.620 69.737 -0.117 18612 312 1 . 1 1 67 67 THR H H 67 8.281 8.281 8.118 0.163 18612 313 1 . 1 1 68 68 THR N N 68 116.774 116.774 116.818 -0.044 18612 314 1 . 1 1 68 68 THR HA H 68 4.503 4.503 4.393 0.110 18612 315 1 . 1 1 68 68 THR CA C 68 61.050 61.050 63.181 -2.131 18612 316 1 . 1 1 68 68 THR CB C 68 69.210 69.210 69.235 -0.025 18612 317 1 . 1 1 68 68 THR H H 68 8.076 8.076 8.259 -0.183 18612 318 1 . 1 1 69 69 GLU N N 69 124.048 124.048 121.228 2.820 18612 319 1 . 1 1 69 69 GLU HA H 69 4.376 4.376 4.452 -0.076 18612 320 1 . 1 1 69 69 GLU CA C 69 56.400 56.400 56.380 0.020 18612 321 1 . 1 1 69 69 GLU CB C 69 30.618 30.618 30.211 0.407 18612 322 1 . 1 1 69 69 GLU H H 69 8.515 8.515 8.309 0.206 18612 323 1 . 1 1 70 70 THR N N 70 118.988 118.988 113.347 5.641 18612 324 1 . 1 1 70 70 THR HA H 70 3.741 3.741 4.452 -0.711 18612 325 1 . 1 1 70 70 THR CA C 70 64.680 64.680 62.385 2.295 18612 326 1 . 1 1 70 70 THR CB C 70 68.770 68.770 69.813 -1.043 18612 327 1 . 1 1 70 70 THR H H 70 8.259 8.259 7.638 0.621 18612 328 1 . 1 1 71 71 GLN N N 71 125.858 125.858 126.562 -0.704 18612 329 1 . 1 1 71 71 GLN HA H 71 4.294 4.294 4.494 -0.200 18612 330 1 . 1 1 71 71 GLN CA C 71 57.400 57.400 57.112 0.288 18612 331 1 . 1 1 71 71 GLN CB C 71 32.071 32.071 30.264 1.807 18612 332 1 . 1 1 71 71 GLN H H 71 8.795 8.795 8.815 -0.020 18612 333 1 . 1 1 72 72 VAL N N 72 113.505 113.505 112.388 1.117 18612 334 1 . 1 1 72 72 VAL HA H 72 4.898 4.898 4.980 -0.082 18612 335 1 . 1 1 72 72 VAL CA C 72 58.620 58.620 59.333 -0.713 18612 336 1 . 1 1 72 72 VAL CB C 72 35.404 35.404 35.349 0.055 18612 337 1 . 1 1 72 72 VAL H H 72 7.325 7.325 7.491 -0.166 18612 338 1 . 1 1 73 73 LEU N N 73 128.725 128.725 121.495 7.230 18612 339 1 . 1 1 73 73 LEU HA H 73 5.092 5.092 4.868 0.224 18612 340 1 . 1 1 73 73 LEU CA C 73 52.740 52.740 53.739 -0.999 18612 341 1 . 1 1 73 73 LEU CB C 73 45.081 45.081 45.849 -0.768 18612 342 1 . 1 1 73 73 LEU H H 73 8.170 8.170 8.163 0.007 18612 343 1 . 1 1 74 74 VAL N N 74 127.634 127.634 122.993 4.641 18612 344 1 . 1 1 74 74 VAL HA H 74 4.766 4.766 4.647 0.119 18612 345 1 . 1 1 74 74 VAL CA C 74 62.090 62.090 60.986 1.104 18612 346 1 . 1 1 74 74 VAL CB C 74 31.690 31.690 32.599 -0.909 18612 347 1 . 1 1 74 74 VAL H H 74 8.913 8.913 8.276 0.637 18612 348 1 . 1 1 75 75 ALA N N 75 132.602 132.602 130.184 2.418 18612 349 1 . 1 1 75 75 ALA HA H 75 4.807 4.807 4.748 0.059 18612 350 1 . 1 1 75 75 ALA CA C 75 50.900 50.900 50.413 0.487 18612 351 1 . 1 1 75 75 ALA CB C 75 23.920 23.920 22.078 1.842 18612 352 1 . 1 1 75 75 ALA H H 75 9.421 9.421 8.918 0.503 18612 353 1 . 1 1 76 76 SER N N 76 111.274 111.274 116.021 -4.747 18612 354 1 . 1 1 76 76 SER HA H 76 4.951 4.951 4.926 0.025 18612 355 1 . 1 1 76 76 SER CA C 76 56.940 56.940 56.728 0.212 18612 356 1 . 1 1 76 76 SER CB C 76 65.960 65.960 65.347 0.613 18612 357 1 . 1 1 76 76 SER H H 76 8.106 8.106 8.394 -0.289 18612 358 1 . 1 1 77 77 ALA N N 77 125.393 125.393 126.088 -0.695 18612 359 1 . 1 1 77 77 ALA HA H 77 4.461 4.461 4.525 -0.064 18612 360 1 . 1 1 77 77 ALA CA C 77 52.754 52.754 52.062 0.692 18612 361 1 . 1 1 77 77 ALA CB C 77 19.740 19.740 19.649 0.091 18612 362 1 . 1 1 77 77 ALA H H 77 9.004 9.004 8.501 0.503 18612 363 1 . 1 1 78 78 GLN N N 78 116.290 116.290 118.360 -2.070 18612 364 1 . 1 1 78 78 GLN HA H 78 4.443 4.443 4.263 0.180 18612 365 1 . 1 1 78 78 GLN CA C 78 56.630 56.630 56.075 0.555 18612 366 1 . 1 1 78 78 GLN CB C 78 30.553 30.553 29.867 0.686 18612 367 1 . 1 1 78 78 GLN H H 78 7.985 7.985 8.111 -0.126 18612 368 1 . 1 1 81 81 LEU HA H 81 4.563 4.563 4.529 0.035 18612 369 1 . 1 1 81 81 LEU CA C 81 47.000 47.000 54.692 -7.692 18612 370 1 . 1 1 81 81 LEU CB C 81 41.021 41.021 42.737 -1.716 18612 371 1 . 1 1 82 82 LEU HA H 82 4.798 4.798 4.327 0.471 18612 372 1 . 1 1 83 83 GLU HA H 83 3.906 3.906 4.026 -0.120 18612 373 1 . 1 1 85 85 ARG N N 85 119.948 119.948 119.327 0.621 18612 374 1 . 1 1 85 85 ARG HA H 85 3.871 3.871 4.066 -0.195 18612 375 1 . 1 1 85 85 ARG CA C 85 60.680 60.680 59.240 1.440 18612 376 1 . 1 1 85 85 ARG CB C 85 31.921 31.921 29.841 2.080 18612 377 1 . 1 1 85 85 ARG H H 85 8.229 8.229 8.064 0.165 18612 378 1 . 1 1 86 86 LEU N N 86 120.227 120.227 120.372 -0.145 18612 379 1 . 1 1 86 86 LEU HA H 86 3.826 3.826 3.991 -0.165 18612 380 1 . 1 1 86 86 LEU CA C 86 58.190 58.190 58.203 -0.013 18612 381 1 . 1 1 86 86 LEU CB C 86 41.588 41.588 41.718 -0.130 18612 382 1 . 1 1 86 86 LEU H H 86 8.459 8.459 8.182 0.277 18612 383 1 . 1 1 87 87 LYS N N 87 120.470 120.470 119.682 0.788 18612 384 1 . 1 1 87 87 LYS HA H 87 4.021 4.021 4.015 0.006 18612 385 1 . 1 1 87 87 LYS CA C 87 59.380 59.380 59.430 -0.050 18612 386 1 . 1 1 87 87 LYS CB C 87 32.898 32.898 32.239 0.659 18612 387 1 . 1 1 87 87 LYS H H 87 7.945 7.945 7.858 0.087 18612 388 1 . 1 1 88 88 LEU N N 88 119.799 119.799 120.738 -0.939 18612 389 1 . 1 1 88 88 LEU HA H 88 4.207 4.207 4.057 0.150 18612 390 1 . 1 1 88 88 LEU CA C 88 57.680 57.680 58.099 -0.419 18612 391 1 . 1 1 88 88 LEU CB C 88 41.225 41.225 41.808 -0.583 18612 392 1 . 1 1 88 88 LEU H H 88 7.547 7.547 7.936 -0.389 18612 393 1 . 1 1 89 89 VAL N N 89 118.828 118.828 117.965 0.863 18612 394 1 . 1 1 89 89 VAL HA H 89 3.318 3.318 3.572 -0.254 18612 395 1 . 1 1 89 89 VAL CA C 89 67.750 67.750 66.599 1.151 18612 396 1 . 1 1 89 89 VAL CB C 89 31.378 31.378 31.052 0.326 18612 397 1 . 1 1 89 89 VAL H H 89 8.347 8.347 8.341 0.006 18612 398 1 . 1 1 90 90 SER N N 90 114.835 114.835 116.207 -1.372 18612 399 1 . 1 1 90 90 SER HA H 90 4.207 4.207 4.103 0.104 18612 400 1 . 1 1 90 90 SER CA C 90 62.000 62.000 62.097 -0.097 18612 401 1 . 1 1 90 90 SER CB C 90 62.770 62.770 62.820 -0.050 18612 402 1 . 1 1 90 90 SER H H 90 7.942 7.942 8.041 -0.099 18612 403 1 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.044 -0.001 18612 404 1 . 1 1 91 91 GLU CA C 91 59.440 59.440 59.485 -0.045 18612 405 1 . 1 1 91 91 GLU CB C 91 30.234 30.234 29.649 0.585 18612 406 1 . 1 1 92 92 LEU N N 92 119.720 119.720 119.765 -0.045 18612 407 1 . 1 1 92 92 LEU HA H 92 3.948 3.948 4.015 -0.067 18612 408 1 . 1 1 92 92 LEU CA C 92 58.120 58.120 58.136 -0.016 18612 409 1 . 1 1 92 92 LEU CB C 92 40.576 40.576 41.867 -1.291 18612 410 1 . 1 1 92 92 LEU H H 92 8.379 8.379 8.152 0.227 18612 411 1 . 1 1 93 93 GLN N N 93 120.938 120.938 119.574 1.364 18612 412 1 . 1 1 93 93 GLN HA H 93 4.553 4.553 4.457 0.096 18612 413 1 . 1 1 93 93 GLN CA C 93 59.050 59.050 58.692 0.358 18612 414 1 . 1 1 93 93 GLN CB C 93 27.980 27.980 28.700 -0.720 18612 415 1 . 1 1 93 93 GLN H H 93 8.751 8.751 8.357 0.394 18612 416 1 . 1 1 94 94 ASP N N 94 122.442 122.442 119.559 2.883 18612 417 1 . 1 1 94 94 ASP HA H 94 4.459 4.459 4.509 -0.050 18612 418 1 . 1 1 94 94 ASP CA C 94 57.100 57.100 56.427 0.673 18612 419 1 . 1 1 94 94 ASP CB C 94 40.261 40.261 41.123 -0.862 18612 420 1 . 1 1 94 94 ASP H H 94 8.470 8.470 8.274 0.196 18612 421 1 . 1 1 95 95 ALA N N 95 120.437 120.437 120.634 -0.197 18612 422 1 . 1 1 95 95 ALA HA H 95 4.512 4.512 4.403 0.109 18612 423 1 . 1 1 95 95 ALA CA C 95 51.745 51.745 53.444 -1.699 18612 424 1 . 1 1 95 95 ALA CB C 95 20.020 20.020 19.777 0.243 18612 425 1 . 1 1 95 95 ALA H H 95 7.340 7.340 7.936 -0.596 18612 426 1 . 1 1 96 96 GLY N N 96 106.865 106.865 106.452 0.413 18612 427 1 . 1 1 96 96 GLY CA C 96 45.290 45.290 44.806 0.484 18612 428 1 . 1 1 96 96 GLY H H 96 7.987 7.987 7.822 0.165 18612 429 1 . 1 1 97 97 ILE N N 97 122.489 122.489 116.655 5.834 18612 430 1 . 1 1 97 97 ILE HA H 97 4.254 4.254 4.424 -0.170 18612 431 1 . 1 1 97 97 ILE CA C 97 58.650 58.650 58.447 0.203 18612 432 1 . 1 1 97 97 ILE CB C 97 37.973 37.973 40.037 -2.064 18612 433 1 . 1 1 97 97 ILE H H 97 8.062 8.062 7.886 0.176 18612 434 1 . 1 1 98 98 LYS N N 98 127.459 127.459 123.743 3.716 18612 435 1 . 1 1 98 98 LYS HA H 98 4.507 4.507 4.314 0.192 18612 436 1 . 1 1 98 98 LYS CA C 98 55.921 55.921 56.251 -0.330 18612 437 1 . 1 1 98 98 LYS CB C 98 31.434 31.434 31.825 -0.391 18612 438 1 . 1 1 98 98 LYS H H 98 8.574 8.574 8.607 -0.033 18612 439 1 . 1 1 99 99 ALA N N 99 130.423 130.423 128.676 1.747 18612 440 1 . 1 1 99 99 ALA HA H 99 5.764 5.764 4.889 0.875 18612 441 1 . 1 1 99 99 ALA CA C 99 49.211 49.211 51.156 -1.945 18612 442 1 . 1 1 99 99 ALA CB C 99 24.870 24.870 20.679 4.191 18612 443 1 . 1 1 99 99 ALA H H 99 7.813 7.813 8.270 -0.457 18612 444 1 . 1 1 100 100 GLU N N 100 118.988 118.988 121.956 -2.968 18612 445 1 . 1 1 100 100 GLU HA H 100 4.835 4.835 4.697 0.138 18612 446 1 . 1 1 100 100 GLU CA C 100 54.706 54.706 55.092 -0.386 18612 447 1 . 1 1 100 100 GLU CB C 100 35.921 35.921 33.380 2.541 18612 448 1 . 1 1 100 100 GLU H H 100 8.226 8.226 8.364 -0.138 18612 449 1 . 1 1 101 101 LEU N N 101 120.024 120.024 120.661 -0.637 18612 450 1 . 1 1 101 101 LEU HA H 101 4.714 4.714 4.624 0.090 18612 451 1 . 1 1 101 101 LEU CA C 101 54.760 54.760 54.185 0.575 18612 452 1 . 1 1 101 101 LEU CB C 101 44.084 44.084 43.747 0.337 18612 453 1 . 1 1 101 101 LEU H H 101 8.478 8.478 8.458 0.020 18612 454 1 . 1 1 102 102 LEU N N 102 118.623 118.623 122.854 -4.231 18612 455 1 . 1 1 102 102 LEU HA H 102 4.034 4.034 4.381 -0.347 18612 456 1 . 1 1 102 102 LEU CA C 102 58.460 58.460 54.240 4.220 18612 457 1 . 1 1 102 102 LEU CB C 102 41.225 41.225 44.346 -3.121 18612 458 1 . 1 1 102 102 LEU H H 102 8.763 8.763 7.794 0.969 18612 459 1 . 1 1 103 103 TYR N N 103 115.970 115.970 113.920 2.050 18612 460 1 . 1 1 103 103 TYR HA H 103 4.582 4.582 4.471 0.111 18612 461 1 . 1 1 103 103 TYR CA C 103 55.973 55.973 57.377 -1.404 18612 462 1 . 1 1 103 103 TYR CB C 103 38.732 38.732 37.258 1.474 18612 463 1 . 1 1 103 103 TYR H H 103 7.378 7.378 7.905 -0.527 18612 464 1 . 1 1 104 104 LYS N N 104 120.577 120.577 121.196 -0.619 18612 465 1 . 1 1 104 104 LYS HA H 104 4.139 4.139 4.205 -0.066 18612 466 1 . 1 1 104 104 LYS CA C 104 56.480 56.480 56.470 0.010 18612 467 1 . 1 1 104 104 LYS CB C 104 32.922 32.922 32.356 0.566 18612 468 1 . 1 1 104 104 LYS H H 104 7.906 7.906 7.868 0.038 18612 469 1 . 1 1 110 110 LEU HA H 110 4.029 4.029 4.004 0.025 18612 470 1 . 1 1 112 112 GLN HA H 112 3.999 3.999 4.130 -0.131 18612 471 1 . 1 1 113 113 LEU N N 113 120.147 120.147 120.276 -0.129 18612 472 1 . 1 1 113 113 LEU HA H 113 3.983 3.983 4.201 -0.218 18612 473 1 . 1 1 113 113 LEU CA C 113 58.420 58.420 57.620 0.800 18612 474 1 . 1 1 113 113 LEU CB C 113 40.593 40.593 41.335 -0.742 18612 475 1 . 1 1 113 113 LEU H H 113 8.365 8.365 8.465 -0.100 18612 476 1 . 1 1 114 114 GLN N N 114 119.995 119.995 118.770 1.225 18612 477 1 . 1 1 114 114 GLN HA H 114 4.037 4.037 4.017 0.020 18612 478 1 . 1 1 114 114 GLN CA C 114 58.970 58.970 59.125 -0.155 18612 479 1 . 1 1 114 114 GLN CB C 114 28.190 28.190 28.507 -0.317 18612 480 1 . 1 1 114 114 GLN H H 114 8.126 8.126 8.093 0.034 18612 481 1 . 1 1 115 115 TYR N N 115 120.358 120.358 120.075 0.283 18612 482 1 . 1 1 115 115 TYR HA H 115 4.295 4.295 4.301 -0.006 18612 483 1 . 1 1 115 115 TYR CA C 115 61.030 61.030 61.134 -0.104 18612 484 1 . 1 1 115 115 TYR CB C 115 37.769 37.769 38.456 -0.687 18612 485 1 . 1 1 115 115 TYR H H 115 7.819 7.819 8.269 -0.450 18612 486 1 . 1 1 116 116 CYS N N 116 116.264 116.264 118.366 -2.101 18612 487 1 . 1 1 116 116 CYS HA H 116 3.816 3.816 3.989 -0.173 18612 488 1 . 1 1 116 116 CYS CA C 116 64.230 64.230 62.153 2.077 18612 489 1 . 1 1 116 116 CYS CB C 116 27.320 27.320 27.600 -0.280 18612 490 1 . 1 1 116 116 CYS H H 116 7.710 7.710 8.115 -0.405 18612 491 1 . 1 1 117 117 GLU N N 117 119.526 119.526 119.593 -0.067 18612 492 1 . 1 1 117 117 GLU HA H 117 3.848 3.848 4.051 -0.203 18612 493 1 . 1 1 117 117 GLU CA C 117 59.150 59.150 59.238 -0.088 18612 494 1 . 1 1 117 117 GLU CB C 117 29.700 29.700 29.672 0.028 18612 495 1 . 1 1 117 117 GLU H H 117 7.912 7.912 8.077 -0.165 18612 496 1 . 1 1 118 118 GLU N N 118 119.875 119.875 118.356 1.519 18612 497 1 . 1 1 118 118 GLU HA H 118 3.969 3.969 4.187 -0.218 18612 498 1 . 1 1 118 118 GLU CA C 118 58.780 58.780 58.327 0.453 18612 499 1 . 1 1 118 118 GLU CB C 118 29.810 29.810 29.879 -0.069 18612 500 1 . 1 1 118 118 GLU H H 118 7.988 7.988 7.855 0.133 18612 501 1 . 1 1 119 119 ALA N N 119 119.118 119.118 120.811 -1.693 18612 502 1 . 1 1 119 119 ALA HA H 119 4.166 4.166 4.223 -0.057 18612 503 1 . 1 1 119 119 ALA CA C 119 52.654 52.654 52.740 -0.086 18612 504 1 . 1 1 119 119 ALA CB C 119 19.080 19.080 19.040 0.039 18612 505 1 . 1 1 119 119 ALA H H 119 8.137 8.137 7.604 0.533 18612 506 1 . 1 1 120 120 GLY N N 120 106.604 106.604 106.301 0.303 18612 507 1 . 1 1 120 120 GLY CA C 120 46.377 46.377 44.606 1.771 18612 508 1 . 1 1 120 120 GLY H H 120 7.550 7.550 7.772 -0.222 18612 509 1 . 1 1 121 121 ILE N N 121 124.026 124.026 116.614 7.412 18612 510 1 . 1 1 121 121 ILE HA H 121 4.011 4.011 4.311 -0.300 18612 511 1 . 1 1 121 121 ILE CA C 121 63.050 63.050 62.176 0.874 18612 512 1 . 1 1 121 121 ILE CB C 121 40.051 40.051 36.922 3.129 18612 513 1 . 1 1 121 121 ILE H H 121 7.918 7.918 7.942 -0.024 18612 514 1 . 1 1 123 123 LEU N N 123 119.541 119.541 117.671 1.870 18612 515 1 . 1 1 123 123 LEU HA H 123 5.503 5.503 4.847 0.656 18612 516 1 . 1 1 123 123 LEU CA C 123 53.686 53.686 54.007 -0.321 18612 517 1 . 1 1 123 123 LEU CB C 123 47.057 47.057 45.141 1.916 18612 518 1 . 1 1 123 123 LEU H H 123 6.973 6.973 7.888 -0.915 18612 519 1 . 1 1 124 124 VAL N N 124 119.580 119.580 120.194 -0.614 18612 520 1 . 1 1 124 124 VAL HA H 124 5.036 5.036 4.893 0.143 18612 521 1 . 1 1 124 124 VAL CA C 124 59.580 59.580 60.521 -0.941 18612 522 1 . 1 1 124 124 VAL CB C 124 35.257 35.257 36.026 -0.769 18612 523 1 . 1 1 124 124 VAL H H 124 8.823 8.823 8.386 0.437 18612 524 1 . 1 1 125 125 ALA N N 125 130.810 130.810 126.285 4.525 18612 525 1 . 1 1 125 125 ALA HA H 125 5.156 5.156 5.111 0.045 18612 526 1 . 1 1 125 125 ALA CA C 125 49.195 49.195 50.694 -1.499 18612 527 1 . 1 1 125 125 ALA CB C 125 20.060 20.060 21.900 -1.840 18612 528 1 . 1 1 125 125 ALA H H 125 9.083 9.083 8.932 0.151 18612 529 1 . 1 1 126 126 ILE N N 126 124.925 124.925 124.730 0.195 18612 530 1 . 1 1 126 126 ILE HA H 126 4.503 4.503 4.958 -0.455 18612 531 1 . 1 1 126 126 ILE CA C 126 60.960 60.960 59.897 1.063 18612 532 1 . 1 1 126 126 ILE CB C 126 39.805 39.805 38.424 1.381 18612 533 1 . 1 1 126 126 ILE H H 126 9.564 9.564 8.335 1.229 18612 534 1 . 1 1 127 127 ILE HA H 127 4.643 4.643 4.431 0.212 18612 535 1 . 1 1 127 127 ILE CA C 127 59.440 59.440 60.299 -0.859 18612 536 1 . 1 1 127 127 ILE CB C 127 41.002 41.002 39.642 1.360 18612 537 1 . 1 1 129 129 GLU N N 129 121.547 121.547 120.186 1.361 18612 538 1 . 1 1 129 129 GLU HA H 129 3.948 3.948 4.131 -0.183 18612 539 1 . 1 1 129 129 GLU CA C 129 60.400 60.400 58.129 2.271 18612 540 1 . 1 1 129 129 GLU CB C 129 30.302 30.302 29.641 0.661 18612 541 1 . 1 1 129 129 GLU H H 129 9.035 9.035 8.464 0.571 18612 542 1 . 1 1 130 130 GLN N N 130 120.221 120.221 119.080 1.141 18612 543 1 . 1 1 130 130 GLN HA H 130 3.877 3.877 4.099 -0.222 18612 544 1 . 1 1 130 130 GLN CA C 130 58.420 58.420 59.176 -0.756 18612 545 1 . 1 1 130 130 GLN CB C 130 28.400 28.400 28.547 -0.147 18612 546 1 . 1 1 130 130 GLN H H 130 8.914 8.914 8.531 0.383 18612 547 1 . 1 1 131 131 GLU N N 131 120.680 120.680 119.818 0.862 18612 548 1 . 1 1 131 131 GLU HA H 131 3.939 3.939 4.171 -0.232 18612 549 1 . 1 1 131 131 GLU CA C 131 61.210 61.210 58.934 2.276 18612 550 1 . 1 1 131 131 GLU CB C 131 28.170 28.170 29.185 -1.015 18612 551 1 . 1 1 131 131 GLU H H 131 8.871 8.871 8.371 0.500 18612 552 1 . 1 1 132 132 LEU N N 132 118.303 118.303 119.637 -1.334 18612 553 1 . 1 1 132 132 LEU HA H 132 4.362 4.362 4.126 0.236 18612 554 1 . 1 1 132 132 LEU CA C 132 56.116 56.116 58.026 -1.910 18612 555 1 . 1 1 132 132 LEU CB C 132 41.823 41.823 41.710 0.113 18612 556 1 . 1 1 132 132 LEU H H 132 8.152 8.152 8.195 -0.043 18612 557 1 . 1 1 133 133 LYS N N 133 120.924 120.924 118.261 2.663 18612 558 1 . 1 1 133 133 LYS HA H 133 4.081 4.081 4.128 -0.047 18612 559 1 . 1 1 133 133 LYS CA C 133 59.580 59.580 58.903 0.677 18612 560 1 . 1 1 133 133 LYS CB C 133 32.472 32.472 32.555 -0.083 18612 561 1 . 1 1 133 133 LYS H H 133 7.631 7.631 7.625 0.006 18612 562 1 . 1 1 134 134 ASP N N 134 118.256 118.256 116.815 1.441 18612 563 1 . 1 1 134 134 ASP HA H 134 4.669 4.669 4.609 0.060 18612 564 1 . 1 1 134 134 ASP CA C 134 55.151 55.151 55.702 -0.551 18612 565 1 . 1 1 134 134 ASP CB C 134 41.381 41.381 41.662 -0.281 18612 566 1 . 1 1 134 134 ASP H H 134 7.985 7.985 7.911 0.074 18612 567 1 . 1 1 135 135 GLY N N 135 109.383 109.383 106.198 3.185 18612 568 1 . 1 1 135 135 GLY CA C 135 46.563 46.563 45.110 1.453 18612 569 1 . 1 1 135 135 GLY H H 135 8.019 8.019 8.041 -0.022 18612 570 1 . 1 1 136 136 VAL N N 136 117.112 117.112 118.504 -1.392 18612 571 1 . 1 1 136 136 VAL HA H 136 4.903 4.903 4.021 0.882 18612 572 1 . 1 1 136 136 VAL CA C 136 59.950 59.950 62.163 -2.213 18612 573 1 . 1 1 136 136 VAL CB C 136 35.885 35.885 33.155 2.730 18612 574 1 . 1 1 136 136 VAL H H 136 8.229 8.229 7.866 0.363 18612 575 1 . 1 1 137 137 ILE N N 137 121.971 121.971 121.671 0.300 18612 576 1 . 1 1 137 137 ILE HA H 137 4.174 4.174 4.405 -0.231 18612 577 1 . 1 1 137 137 ILE CA C 137 58.560 58.560 60.200 -1.640 18612 578 1 . 1 1 137 137 ILE CB C 137 40.789 40.789 39.685 1.104 18612 579 1 . 1 1 137 137 ILE H H 137 8.975 8.975 8.301 0.674 18612 580 1 . 1 1 138 138 LYS N N 138 126.613 126.613 126.353 0.260 18612 581 1 . 1 1 138 138 LYS HA H 138 4.924 4.924 5.031 -0.107 18612 582 1 . 1 1 138 138 LYS CA C 138 55.715 55.715 54.855 0.860 18612 583 1 . 1 1 138 138 LYS CB C 138 33.217 33.217 34.658 -1.441 18612 584 1 . 1 1 138 138 LYS H H 138 7.726 7.726 8.326 -0.600 18612 585 1 . 1 1 139 139 LEU N N 139 129.177 129.177 125.956 3.221 18612 586 1 . 1 1 139 139 LEU HA H 139 5.203 5.203 4.788 0.415 18612 587 1 . 1 1 139 139 LEU CA C 139 53.290 53.290 53.670 -0.380 18612 588 1 . 1 1 139 139 LEU CB C 139 44.760 44.760 44.083 0.677 18612 589 1 . 1 1 139 139 LEU H H 139 9.404 9.404 8.531 0.873 18612 590 1 . 1 1 140 140 ARG N N 140 128.243 128.243 125.166 3.076 18612 591 1 . 1 1 140 140 ARG HA H 140 5.262 5.262 4.588 0.674 18612 592 1 . 1 1 140 140 ARG CA C 140 53.685 53.685 55.854 -2.169 18612 593 1 . 1 1 140 140 ARG CB C 140 27.990 27.990 31.326 -3.336 18612 594 1 . 1 1 140 140 ARG H H 140 9.540 9.540 8.543 0.997 18612 595 1 . 1 1 142 142 VAL N N 142 129.670 129.670 122.433 7.237 18612 596 1 . 1 1 142 142 VAL HA H 142 3.547 3.547 3.710 -0.163 18612 597 1 . 1 1 142 142 VAL CA C 142 65.950 65.950 65.496 0.454 18612 598 1 . 1 1 142 142 VAL CB C 142 32.688 32.688 31.258 1.430 18612 599 1 . 1 1 142 142 VAL H H 142 8.336 8.336 8.007 0.329 18612 600 1 . 1 1 143 143 THR N N 143 111.061 111.061 113.482 -2.421 18612 601 1 . 1 1 143 143 THR HA H 143 4.157 4.157 4.147 0.010 18612 602 1 . 1 1 143 143 THR CA C 143 69.400 69.400 64.692 4.709 18612 603 1 . 1 1 143 143 THR CB C 143 70.020 70.020 68.867 1.153 18612 604 1 . 1 1 143 143 THR H H 143 8.248 8.248 7.950 0.298 18612 605 1 . 1 1 144 144 SER N N 144 115.158 115.158 115.762 -0.605 18612 606 1 . 1 1 144 144 SER HA H 144 4.514 4.514 4.401 0.113 18612 607 1 . 1 1 144 144 SER CA C 144 58.370 58.370 60.270 -1.900 18612 608 1 . 1 1 144 144 SER CB C 144 64.500 64.500 63.653 0.847 18612 609 1 . 1 1 144 144 SER H H 144 7.812 7.812 8.326 -0.514 18612 610 1 . 1 1 145 145 ARG N N 145 116.527 116.527 119.472 -2.945 18612 611 1 . 1 1 145 145 ARG HA H 145 3.826 3.826 4.530 -0.704 18612 612 1 . 1 1 145 145 ARG CA C 145 58.300 58.300 55.944 2.356 18612 613 1 . 1 1 145 145 ARG CB C 145 28.200 28.200 32.100 -3.900 18612 614 1 . 1 1 145 145 ARG H H 145 7.836 7.836 7.834 0.002 18612 615 1 . 1 1 146 146 GLU N N 146 119.889 119.889 116.174 3.715 18612 616 1 . 1 1 146 146 GLU HA H 146 4.269 4.269 4.371 -0.102 18612 617 1 . 1 1 146 146 GLU CA C 146 56.930 56.930 56.933 -0.003 18612 618 1 . 1 1 146 146 GLU CB C 146 31.638 31.638 31.780 -0.142 18612 619 1 . 1 1 146 146 GLU H H 146 7.675 7.675 8.428 -0.753 18612 620 1 . 1 1 147 147 GLU N N 147 124.286 124.286 119.310 4.976 18612 621 1 . 1 1 147 147 GLU HA H 147 5.319 5.319 4.768 0.551 18612 622 1 . 1 1 147 147 GLU CA C 147 54.935 54.935 55.513 -0.578 18612 623 1 . 1 1 147 147 GLU CB C 147 33.740 33.740 32.744 0.996 18612 624 1 . 1 1 147 147 GLU H H 147 8.602 8.602 8.141 0.461 18612 625 1 . 1 1 148 148 VAL N N 148 120.587 120.587 120.133 0.454 18612 626 1 . 1 1 148 148 VAL HA H 148 4.534 4.534 4.419 0.115 18612 627 1 . 1 1 148 148 VAL CA C 148 59.660 59.660 59.951 -0.291 18612 628 1 . 1 1 148 148 VAL CB C 148 35.690 35.690 35.915 -0.225 18612 629 1 . 1 1 148 148 VAL H H 148 8.536 8.536 8.197 0.339 18612 630 1 . 1 1 149 149 ASP N N 149 125.031 125.031 124.420 0.611 18612 631 1 . 1 1 149 149 ASP HA H 149 5.154 5.154 4.980 0.174 18612 632 1 . 1 1 149 149 ASP CA C 149 53.913 53.913 53.748 0.165 18612 633 1 . 1 1 149 149 ASP CB C 149 40.781 40.781 41.870 -1.089 18612 634 1 . 1 1 149 149 ASP H H 149 8.411 8.411 8.344 0.067 18612 635 1 . 1 1 150 150 VAL N N 150 123.264 123.264 119.697 3.567 18612 636 1 . 1 1 150 150 VAL HA H 150 4.400 4.400 4.652 -0.252 18612 637 1 . 1 1 150 150 VAL CA C 150 59.640 59.640 59.461 0.179 18612 638 1 . 1 1 150 150 VAL CB C 150 35.025 35.025 35.726 -0.701 18612 639 1 . 1 1 150 150 VAL H H 150 9.061 9.061 8.790 0.271 18612 640 1 . 1 1 151 151 ARG N N 151 125.112 125.112 120.275 4.837 18612 641 1 . 1 1 151 151 ARG HA H 151 4.408 4.408 4.651 -0.243 18612 642 1 . 1 1 151 151 ARG CA C 151 57.110 57.110 54.879 2.231 18612 643 1 . 1 1 151 151 ARG CB C 151 29.890 29.890 30.788 -0.898 18612 644 1 . 1 1 151 151 ARG H H 151 9.048 9.048 8.626 0.422 18612 645 1 . 1 1 152 152 ARG N N 152 124.828 124.828 120.393 4.435 18612 646 1 . 1 1 152 152 ARG HA H 152 3.666 3.666 3.806 -0.140 18612 647 1 . 1 1 152 152 ARG CA C 152 60.030 60.030 60.063 -0.033 18612 648 1 . 1 1 152 152 ARG CB C 152 30.010 30.010 28.703 1.307 18612 649 1 . 1 1 152 152 ARG H H 152 8.582 8.582 8.780 -0.198 18612 650 1 . 1 1 153 153 GLU N N 153 116.730 116.730 118.441 -1.711 18612 651 1 . 1 1 153 153 GLU HA H 153 4.200 4.200 4.090 0.110 18612 652 1 . 1 1 153 153 GLU CA C 153 58.970 58.970 59.552 -0.582 18612 653 1 . 1 1 153 153 GLU CB C 153 28.580 28.580 29.283 -0.703 18612 654 1 . 1 1 153 153 GLU H H 153 9.924 9.924 8.438 1.486 18612 655 1 . 1 1 154 154 ASP N N 154 119.318 119.318 118.930 0.388 18612 656 1 . 1 1 154 154 ASP HA H 154 5.018 5.018 4.468 0.550 18612 657 1 . 1 1 154 154 ASP CA C 154 54.392 54.392 56.942 -2.550 18612 658 1 . 1 1 154 154 ASP CB C 154 42.290 42.290 40.388 1.903 18612 659 1 . 1 1 154 154 ASP H H 154 7.758 7.758 8.524 -0.766 18612 660 1 . 1 1 155 155 LEU N N 155 121.863 121.863 120.586 1.277 18612 661 1 . 1 1 155 155 LEU HA H 155 3.815 3.815 4.137 -0.322 18612 662 1 . 1 1 155 155 LEU CA C 155 59.170 59.170 57.970 1.200 18612 663 1 . 1 1 155 155 LEU CB C 155 42.628 42.628 41.905 0.723 18612 664 1 . 1 1 155 155 LEU H H 155 7.315 7.315 7.785 -0.470 18612 665 1 . 1 1 156 156 VAL N N 156 118.555 118.555 118.639 -0.084 18612 666 1 . 1 1 156 156 VAL HA H 156 3.255 3.255 3.609 -0.354 18612 667 1 . 1 1 156 156 VAL CA C 156 67.660 67.660 66.699 0.961 18612 668 1 . 1 1 156 156 VAL CB C 156 31.230 31.230 31.326 -0.096 18612 669 1 . 1 1 156 156 VAL H H 156 8.490 8.490 7.769 0.721 18612 670 1 . 1 1 157 157 GLU N N 157 118.568 118.568 119.554 -0.986 18612 671 1 . 1 1 157 157 GLU HA H 157 3.910 3.910 4.011 -0.101 18612 672 1 . 1 1 157 157 GLU CA C 157 59.420 59.420 59.703 -0.283 18612 673 1 . 1 1 157 157 GLU H H 157 8.138 8.138 8.084 0.054 18612 674 1 . 1 1 158 158 GLU N N 158 118.484 118.484 120.115 -1.631 18612 675 1 . 1 1 158 158 GLU HA H 158 4.140 4.140 4.082 0.058 18612 676 1 . 1 1 158 158 GLU CA C 158 57.290 57.290 59.467 -2.177 18612 677 1 . 1 1 158 158 GLU CB C 158 29.474 29.474 29.595 -0.121 18612 678 1 . 1 1 158 158 GLU H H 158 8.138 8.138 7.950 0.188 18612 679 1 . 1 1 159 159 ILE N N 159 119.508 119.508 118.724 0.784 18612 680 1 . 1 1 159 159 ILE HA H 159 3.428 3.428 3.708 -0.280 18612 681 1 . 1 1 159 159 ILE CA C 159 65.890 65.890 65.237 0.653 18612 682 1 . 1 1 159 159 ILE CB C 159 30.000 30.000 37.689 -7.689 18612 683 1 . 1 1 159 159 ILE H H 159 8.482 8.482 7.872 0.611 18612 684 1 . 1 1 160 160 LYS N N 160 121.513 121.513 120.128 1.385 18612 685 1 . 1 1 160 160 LYS HA H 160 3.778 3.778 3.978 -0.200 18612 686 1 . 1 1 160 160 LYS CA C 160 60.850 60.850 59.560 1.290 18612 687 1 . 1 1 160 160 LYS CB C 160 32.250 32.250 32.176 0.074 18612 688 1 . 1 1 160 160 LYS H H 160 8.424 8.424 7.955 0.469 18612 689 1 . 1 1 161 161 ARG N N 161 118.966 118.966 117.974 0.992 18612 690 1 . 1 1 161 161 ARG HA H 161 4.069 4.069 4.078 -0.009 18612 691 1 . 1 1 161 161 ARG CA C 161 59.330 59.330 58.776 0.554 18612 692 1 . 1 1 161 161 ARG CB C 161 30.892 30.892 30.150 0.742 18612 693 1 . 1 1 161 161 ARG H H 161 8.248 8.248 7.941 0.307 18612 694 1 . 1 1 162 162 ARG N N 162 117.033 117.033 117.997 -0.964 18612 695 1 . 1 1 162 162 ARG HA H 162 4.242 4.242 4.156 0.086 18612 696 1 . 1 1 162 162 ARG CA C 162 58.058 58.058 58.628 -0.570 18612 697 1 . 1 1 162 162 ARG CB C 162 31.790 31.790 30.432 1.358 18612 698 1 . 1 1 162 162 ARG H H 162 7.811 7.811 7.908 -0.097 18612 699 1 . 1 1 163 163 THR N N 163 108.588 108.588 111.332 -2.744 18612 700 1 . 1 1 163 163 THR HA H 163 4.549 4.549 4.288 0.261 18612 701 1 . 1 1 163 163 THR CA C 163 61.820 61.820 63.335 -1.515 18612 702 1 . 1 1 163 163 THR CB C 163 70.020 70.020 68.963 1.056 18612 703 1 . 1 1 163 163 THR H H 163 7.831 7.831 7.983 -0.152 18612 704 1 . 1 1 164 164 GLY N N 164 110.640 110.640 109.827 0.813 18612 705 1 . 1 1 164 164 GLY CA C 164 45.713 45.713 44.796 0.917 18612 706 1 . 1 1 164 164 GLY H H 164 7.847 7.847 7.644 0.203 18612 707 1 . 1 1 165 165 GLN N N 165 120.993 120.993 120.397 0.596 18612 708 1 . 1 1 165 165 GLN HA H 165 3.942 3.942 4.507 -0.565 18612 709 1 . 1 1 165 165 GLN CA C 165 56.077 56.077 54.076 2.001 18612 710 1 . 1 1 165 165 GLN CB C 165 29.569 29.569 29.594 -0.025 18612 711 1 . 1 1 165 165 GLN H H 165 8.141 8.141 8.308 -0.167 18612 712 1 . 1 1 167 167 LEU N N 167 122.540 122.540 122.109 0.431 18612 713 1 . 1 1 167 167 LEU H H 167 8.370 8.370 8.234 0.136 18612 714 1 . 1 1 168 168 SER N N 168 116.635 116.635 116.840 -0.205 18612 715 1 . 1 1 168 168 SER H H 168 8.269 8.269 8.279 -0.010 18612 716 1 . 1 1 169 169 ILE N N 169 122.767 122.767 121.926 0.841 18612 717 1 . 1 1 169 169 ILE H H 169 8.165 8.165 8.190 -0.025 18612 stop_ save_