data_19939 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19939 _Entry.PDB_ID 2MOE 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 19939 _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 79 79 SER C C 79 174.960 174.960 174.089 0.871 19939 2 1 1 . 1 1 79 79 SER CA C 79 58.539 58.539 59.078 -0.539 19939 3 1 1 . 1 1 79 79 SER CB C 79 64.005 64.005 64.076 -0.072 19939 4 1 1 . 1 1 80 80 THR N N 80 115.664 115.664 117.912 -2.248 19939 5 1 1 . 1 1 80 80 THR HA H 80 4.389 4.389 4.529 -0.140 19939 6 1 1 . 1 1 80 80 THR C C 80 174.574 174.574 173.958 0.616 19939 7 1 1 . 1 1 80 80 THR CA C 80 62.123 62.123 61.894 0.229 19939 8 1 1 . 1 1 80 80 THR CB C 80 69.660 69.660 69.913 -0.253 19939 9 1 1 . 1 1 80 80 THR H H 80 8.340 8.340 7.708 0.632 19939 10 1 1 . 1 1 81 81 GLU N N 81 123.120 123.120 124.758 -1.638 19939 11 1 1 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.552 -0.237 19939 12 1 1 . 1 1 81 81 GLU C C 81 176.123 176.123 175.818 0.305 19939 13 1 1 . 1 1 81 81 GLU CA C 81 56.672 56.672 55.130 1.542 19939 14 1 1 . 1 1 81 81 GLU CB C 81 30.260 30.260 31.258 -0.998 19939 15 1 1 . 1 1 81 81 GLU H H 81 8.434 8.434 8.610 -0.176 19939 16 1 1 . 1 1 82 82 CYS N N 82 120.924 120.924 118.997 1.927 19939 17 1 1 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.838 -0.353 19939 18 1 1 . 1 1 82 82 CYS C C 82 174.341 174.341 174.609 -0.268 19939 19 1 1 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.596 0.860 19939 20 1 1 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.742 -0.753 19939 21 1 1 . 1 1 82 82 CYS H H 82 8.392 8.392 8.179 0.213 19939 22 1 1 . 1 1 83 83 ARG N N 83 124.156 124.156 121.609 2.547 19939 23 1 1 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.183 0.184 19939 24 1 1 . 1 1 83 83 ARG C C 83 176.140 176.140 176.101 0.039 19939 25 1 1 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.636 -0.368 19939 26 1 1 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.995 -0.133 19939 27 1 1 . 1 1 83 83 ARG H H 83 8.478 8.478 8.171 0.307 19939 28 1 1 . 1 1 84 84 LYS N N 84 122.766 122.766 120.246 2.520 19939 29 1 1 . 1 1 84 84 LYS C C 84 176.555 176.555 175.776 0.779 19939 30 1 1 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.372 -1.397 19939 31 1 1 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.514 0.820 19939 32 1 1 . 1 1 84 84 LYS H H 84 8.413 8.413 8.425 -0.012 19939 33 1 1 . 1 1 85 85 SER N N 85 118.305 118.305 115.003 3.302 19939 34 1 1 . 1 1 85 85 SER HA H 85 4.408 4.408 4.404 0.004 19939 35 1 1 . 1 1 85 85 SER C C 85 173.669 173.669 173.256 0.413 19939 36 1 1 . 1 1 85 85 SER CA C 85 58.288 58.288 58.418 -0.130 19939 37 1 1 . 1 1 85 85 SER CB C 85 63.932 63.932 64.261 -0.329 19939 38 1 1 . 1 1 85 85 SER H H 85 8.440 8.440 8.454 -0.014 19939 39 1 1 . 1 1 86 86 VAL N N 86 123.628 123.628 123.408 0.220 19939 40 1 1 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.419 -0.134 19939 41 1 1 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.706 0.463 19939 42 1 1 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.996 0.384 19939 43 1 1 . 1 1 86 86 VAL H H 86 8.279 8.279 7.928 0.351 19939 44 1 1 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.449 -0.248 19939 45 1 1 . 1 1 87 87 PRO C C 87 175.673 175.673 176.258 -0.585 19939 46 1 1 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.872 0.750 19939 47 1 1 . 1 1 87 87 PRO CB C 87 32.040 32.040 31.964 0.076 19939 48 1 1 . 1 1 88 88 CYS N N 88 120.983 120.983 121.509 -0.526 19939 49 1 1 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.349 -0.105 19939 50 1 1 . 1 1 88 88 CYS C C 88 176.345 176.345 176.048 0.297 19939 51 1 1 . 1 1 88 88 CYS CA C 88 61.162 61.162 59.366 1.796 19939 52 1 1 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.965 -2.045 19939 53 1 1 . 1 1 88 88 CYS H H 88 8.393 8.393 8.310 0.083 19939 54 1 1 . 1 1 89 89 GLY N N 89 115.997 115.997 111.979 4.018 19939 55 1 1 . 1 1 89 89 GLY C C 89 174.168 174.168 173.016 1.152 19939 56 1 1 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.257 0.193 19939 57 1 1 . 1 1 89 89 GLY H H 89 9.011 9.011 8.602 0.409 19939 58 1 1 . 1 1 90 90 TRP N N 90 121.603 121.603 119.477 2.126 19939 59 1 1 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.001 -0.029 19939 60 1 1 . 1 1 90 90 TRP C C 90 175.327 175.327 175.689 -0.362 19939 61 1 1 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.545 0.924 19939 62 1 1 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.338 -1.833 19939 63 1 1 . 1 1 90 90 TRP H H 90 8.406 8.406 7.472 0.934 19939 64 1 1 . 1 1 91 91 GLU N N 91 119.691 119.691 121.792 -2.101 19939 65 1 1 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.855 -0.004 19939 66 1 1 . 1 1 91 91 GLU C C 91 174.309 174.309 175.461 -1.152 19939 67 1 1 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.758 0.307 19939 68 1 1 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.888 0.525 19939 69 1 1 . 1 1 91 91 GLU H H 91 8.963 8.963 8.601 0.362 19939 70 1 1 . 1 1 92 92 ARG N N 92 126.749 126.749 123.824 2.925 19939 71 1 1 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.865 -0.430 19939 72 1 1 . 1 1 92 92 ARG C C 92 174.635 174.635 175.108 -0.473 19939 73 1 1 . 1 1 92 92 ARG CA C 92 54.831 54.831 54.795 0.036 19939 74 1 1 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.379 0.774 19939 75 1 1 . 1 1 92 92 ARG H H 92 8.944 8.944 8.559 0.385 19939 76 1 1 . 1 1 93 93 VAL N N 93 130.450 130.450 123.111 7.339 19939 77 1 1 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.308 -0.179 19939 78 1 1 . 1 1 93 93 VAL C C 93 173.391 173.391 173.776 -0.385 19939 79 1 1 . 1 1 93 93 VAL CA C 93 61.554 61.554 61.422 0.132 19939 80 1 1 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.608 -1.282 19939 81 1 1 . 1 1 93 93 VAL H H 93 9.096 9.096 8.469 0.627 19939 82 1 1 . 1 1 94 94 VAL N N 94 125.534 125.534 121.787 3.747 19939 83 1 1 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.939 -0.284 19939 84 1 1 . 1 1 94 94 VAL C C 94 175.830 175.830 175.003 0.827 19939 85 1 1 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.760 0.535 19939 86 1 1 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.723 -0.659 19939 87 1 1 . 1 1 94 94 VAL H H 94 8.341 8.341 8.292 0.049 19939 88 1 1 . 1 1 95 95 LYS N N 95 128.357 128.357 127.194 1.163 19939 89 1 1 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.828 0.056 19939 90 1 1 . 1 1 95 95 LYS C C 95 175.169 175.169 175.692 -0.523 19939 91 1 1 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.775 -0.039 19939 92 1 1 . 1 1 95 95 LYS CB C 95 36.190 36.190 36.269 -0.079 19939 93 1 1 . 1 1 95 95 LYS H H 95 9.158 9.158 8.729 0.429 19939 94 1 1 . 1 1 96 96 GLN N N 96 128.341 128.341 123.397 4.944 19939 95 1 1 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.302 0.168 19939 96 1 1 . 1 1 96 96 GLN C C 96 175.665 175.665 176.079 -0.414 19939 97 1 1 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.745 -0.938 19939 98 1 1 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.195 0.924 19939 99 1 1 . 1 1 96 96 GLN H H 96 8.943 8.943 8.542 0.401 19939 100 1 1 . 1 1 97 97 ARG N N 97 127.147 127.147 122.185 4.962 19939 101 1 1 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.107 0.332 19939 102 1 1 . 1 1 97 97 ARG C C 97 178.214 178.214 176.058 2.156 19939 103 1 1 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.147 1.573 19939 104 1 1 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.328 -0.003 19939 105 1 1 . 1 1 97 97 ARG H H 97 9.117 9.117 8.213 0.904 19939 106 1 1 . 1 1 98 98 LEU N N 98 125.934 125.934 120.358 5.576 19939 107 1 1 . 1 1 98 98 LEU HA H 98 4.342 4.342 3.614 0.728 19939 108 1 1 . 1 1 98 98 LEU C C 98 176.647 176.647 176.691 -0.044 19939 109 1 1 . 1 1 98 98 LEU CA C 98 55.683 55.683 56.531 -0.848 19939 110 1 1 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.403 2.660 19939 111 1 1 . 1 1 98 98 LEU H H 98 9.054 9.054 8.214 0.840 19939 112 1 1 . 1 1 99 99 PHE N N 99 119.325 119.325 115.584 3.741 19939 113 1 1 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.631 0.320 19939 114 1 1 . 1 1 99 99 PHE C C 99 173.854 173.854 175.429 -1.575 19939 115 1 1 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.321 -0.617 19939 116 1 1 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.979 1.776 19939 117 1 1 . 1 1 99 99 PHE H H 99 8.245 8.245 7.786 0.459 19939 118 1 1 . 1 1 100 100 GLY N N 100 104.714 104.714 109.683 -4.969 19939 119 1 1 . 1 1 100 100 GLY C C 100 176.173 176.173 174.266 1.907 19939 120 1 1 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.583 -1.459 19939 121 1 1 . 1 1 100 100 GLY H H 100 8.111 8.111 7.889 0.222 19939 122 1 1 . 1 1 101 101 LYS N N 101 122.597 122.597 119.587 3.010 19939 123 1 1 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.271 -0.159 19939 124 1 1 . 1 1 101 101 LYS C C 101 179.615 179.615 176.339 3.276 19939 125 1 1 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.123 1.547 19939 126 1 1 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.832 -0.058 19939 127 1 1 . 1 1 101 101 LYS H H 101 9.134 9.134 8.376 0.758 19939 128 1 1 . 1 1 102 102 THR N N 102 108.650 108.650 108.197 0.453 19939 129 1 1 . 1 1 102 102 THR HA H 102 4.339 4.339 4.418 -0.079 19939 130 1 1 . 1 1 102 102 THR C C 102 172.966 172.966 173.383 -0.417 19939 131 1 1 . 1 1 102 102 THR CA C 102 61.304 61.304 60.484 0.820 19939 132 1 1 . 1 1 102 102 THR CB C 102 68.948 68.948 68.751 0.197 19939 133 1 1 . 1 1 102 102 THR H H 102 8.982 8.982 7.566 1.416 19939 134 1 1 . 1 1 103 103 ALA N N 103 123.171 123.171 125.410 -2.239 19939 135 1 1 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.999 -0.632 19939 136 1 1 . 1 1 103 103 ALA C C 103 178.082 178.082 178.206 -0.124 19939 137 1 1 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.821 0.294 19939 138 1 1 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.407 -0.466 19939 139 1 1 . 1 1 103 103 ALA H H 103 6.932 6.932 7.464 -0.532 19939 140 1 1 . 1 1 104 104 GLY N N 104 111.443 111.443 110.517 0.926 19939 141 1 1 . 1 1 104 104 GLY C C 104 175.274 175.274 174.368 0.906 19939 142 1 1 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.587 -0.103 19939 143 1 1 . 1 1 104 104 GLY H H 104 8.545 8.545 8.663 -0.118 19939 144 1 1 . 1 1 105 105 ARG N N 105 119.647 119.647 121.197 -1.550 19939 145 1 1 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.375 0.042 19939 146 1 1 . 1 1 105 105 ARG C C 105 174.184 174.184 174.809 -0.625 19939 147 1 1 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.029 0.716 19939 148 1 1 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.492 -0.751 19939 149 1 1 . 1 1 105 105 ARG H H 105 7.646 7.646 7.646 -0.000 19939 150 1 1 . 1 1 106 106 PHE N N 106 117.619 117.619 119.298 -1.679 19939 151 1 1 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.808 0.615 19939 152 1 1 . 1 1 106 106 PHE C C 106 175.443 175.443 175.248 0.195 19939 153 1 1 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.334 -0.146 19939 154 1 1 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.507 1.021 19939 155 1 1 . 1 1 106 106 PHE H H 106 8.745 8.745 8.368 0.377 19939 156 1 1 . 1 1 107 107 ASP N N 107 119.340 119.340 125.007 -5.667 19939 157 1 1 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.189 -0.011 19939 158 1 1 . 1 1 107 107 ASP C C 107 173.615 173.615 174.572 -0.957 19939 159 1 1 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.897 -0.194 19939 160 1 1 . 1 1 107 107 ASP CB C 107 45.290 45.290 44.120 1.170 19939 161 1 1 . 1 1 107 107 ASP H H 107 8.858 8.858 8.479 0.379 19939 162 1 1 . 1 1 108 108 VAL N N 108 121.639 121.639 117.692 3.947 19939 163 1 1 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.257 -0.344 19939 164 1 1 . 1 1 108 108 VAL C C 108 174.762 174.762 174.155 0.607 19939 165 1 1 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.191 0.641 19939 166 1 1 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.557 -1.618 19939 167 1 1 . 1 1 108 108 VAL H H 108 8.550 8.550 8.504 0.046 19939 168 1 1 . 1 1 109 109 TYR N N 109 121.685 121.685 119.498 2.187 19939 169 1 1 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.020 0.399 19939 170 1 1 . 1 1 109 109 TYR C C 109 173.430 173.430 173.389 0.041 19939 171 1 1 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.547 -1.087 19939 172 1 1 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.279 1.762 19939 173 1 1 . 1 1 109 109 TYR H H 109 8.894 8.894 8.484 0.410 19939 174 1 1 . 1 1 110 110 PHE N N 110 117.355 117.355 116.980 0.375 19939 175 1 1 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.575 0.270 19939 176 1 1 . 1 1 110 110 PHE C C 110 175.425 175.425 174.546 0.879 19939 177 1 1 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.329 1.368 19939 178 1 1 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.642 2.477 19939 179 1 1 . 1 1 110 110 PHE H H 110 8.898 8.898 7.610 1.288 19939 180 1 1 . 1 1 111 111 ILE N N 111 121.807 121.807 123.319 -1.512 19939 181 1 1 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.918 0.312 19939 182 1 1 . 1 1 111 111 ILE C C 111 176.355 176.355 176.572 -0.217 19939 183 1 1 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.186 -0.207 19939 184 1 1 . 1 1 111 111 ILE CB C 111 39.901 39.901 39.419 0.482 19939 185 1 1 . 1 1 111 111 ILE H H 111 9.660 9.660 8.755 0.905 19939 186 1 1 . 1 1 112 112 SER N N 112 126.063 126.063 124.328 1.735 19939 187 1 1 . 1 1 112 112 SER HA H 112 3.051 3.051 4.032 -0.981 19939 188 1 1 . 1 1 112 112 SER CA C 112 56.697 56.697 59.929 -3.232 19939 189 1 1 . 1 1 112 112 SER CB C 112 63.153 63.153 62.854 0.299 19939 190 1 1 . 1 1 112 112 SER H H 112 9.416 9.416 9.051 0.365 19939 191 1 1 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.263 -0.004 19939 192 1 1 . 1 1 113 113 PRO C C 113 177.214 177.214 177.273 -0.059 19939 193 1 1 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.677 0.237 19939 194 1 1 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.703 -0.275 19939 195 1 1 . 1 1 114 114 GLN N N 114 112.298 112.298 115.763 -3.465 19939 196 1 1 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.282 0.101 19939 197 1 1 . 1 1 114 114 GLN C C 114 175.990 175.990 176.773 -0.783 19939 198 1 1 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.613 0.201 19939 199 1 1 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.381 0.268 19939 200 1 1 . 1 1 114 114 GLN H H 114 7.175 7.175 8.275 -1.100 19939 201 1 1 . 1 1 115 115 GLY N N 115 108.911 108.911 106.530 2.381 19939 202 1 1 . 1 1 115 115 GLY C C 115 174.162 174.162 173.370 0.792 19939 203 1 1 . 1 1 115 115 GLY CA C 115 45.319 45.319 44.803 0.516 19939 204 1 1 . 1 1 115 115 GLY H H 115 8.150 8.150 7.710 0.440 19939 205 1 1 . 1 1 116 116 LEU N N 116 121.038 121.038 121.541 -0.503 19939 206 1 1 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.178 0.004 19939 207 1 1 . 1 1 116 116 LEU C C 116 175.187 175.187 175.597 -0.410 19939 208 1 1 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.015 0.757 19939 209 1 1 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.100 0.443 19939 210 1 1 . 1 1 116 116 LEU H H 116 7.166 7.166 7.741 -0.575 19939 211 1 1 . 1 1 117 117 LYS N N 117 121.584 121.584 124.540 -2.956 19939 212 1 1 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.195 1.074 19939 213 1 1 . 1 1 117 117 LYS C C 117 175.984 175.984 174.990 0.994 19939 214 1 1 . 1 1 117 117 LYS CA C 117 55.433 55.433 56.315 -0.882 19939 215 1 1 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.218 1.345 19939 216 1 1 . 1 1 117 117 LYS H H 117 8.238 8.238 8.231 0.007 19939 217 1 1 . 1 1 118 118 PHE N N 118 121.828 121.828 123.585 -1.757 19939 218 1 1 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.715 0.197 19939 219 1 1 . 1 1 118 118 PHE C C 118 176.449 176.449 173.732 2.717 19939 220 1 1 . 1 1 118 118 PHE CA C 118 58.006 58.006 56.934 1.072 19939 221 1 1 . 1 1 118 118 PHE CB C 118 42.968 42.968 43.176 -0.208 19939 222 1 1 . 1 1 118 118 PHE H H 118 9.639 9.639 7.997 1.642 19939 223 1 1 . 1 1 119 119 ARG N N 119 119.546 119.546 119.146 0.400 19939 224 1 1 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.468 0.643 19939 225 1 1 . 1 1 119 119 ARG C C 119 174.704 174.704 175.591 -0.887 19939 226 1 1 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.681 -0.510 19939 227 1 1 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.523 0.297 19939 228 1 1 . 1 1 119 119 ARG H H 119 9.589 9.589 8.815 0.774 19939 229 1 1 . 1 1 120 120 SER N N 120 110.737 110.737 116.701 -5.964 19939 230 1 1 . 1 1 120 120 SER HA H 120 4.341 4.341 4.791 -0.450 19939 231 1 1 . 1 1 120 120 SER C C 120 172.793 172.793 174.450 -1.657 19939 232 1 1 . 1 1 120 120 SER CA C 120 56.032 56.032 57.186 -1.154 19939 233 1 1 . 1 1 120 120 SER CB C 120 66.492 66.492 66.005 0.487 19939 234 1 1 . 1 1 120 120 SER H H 120 7.625 7.625 7.789 -0.164 19939 235 1 1 . 1 1 121 121 LYS N N 121 125.451 125.451 125.236 0.215 19939 236 1 1 . 1 1 121 121 LYS HA H 121 3.634 3.634 3.884 -0.250 19939 237 1 1 . 1 1 121 121 LYS C C 121 178.826 178.826 178.279 0.547 19939 238 1 1 . 1 1 121 121 LYS CA C 121 59.635 59.635 60.158 -0.523 19939 239 1 1 . 1 1 121 121 LYS CB C 121 31.154 31.154 31.714 -0.560 19939 240 1 1 . 1 1 121 121 LYS H H 121 8.816 8.816 8.873 -0.057 19939 241 1 1 . 1 1 122 122 SER N N 122 115.374 115.374 115.668 -0.294 19939 242 1 1 . 1 1 122 122 SER HA H 122 4.136 4.136 4.233 -0.097 19939 243 1 1 . 1 1 122 122 SER C C 122 177.427 177.427 176.434 0.993 19939 244 1 1 . 1 1 122 122 SER CA C 122 61.492 61.492 61.401 0.091 19939 245 1 1 . 1 1 122 122 SER CB C 122 62.342 62.342 62.318 0.024 19939 246 1 1 . 1 1 122 122 SER H H 122 8.834 8.834 8.271 0.563 19939 247 1 1 . 1 1 123 123 SER N N 123 118.263 118.263 117.780 0.483 19939 248 1 1 . 1 1 123 123 SER HA H 123 4.418 4.418 4.372 0.046 19939 249 1 1 . 1 1 123 123 SER C C 123 178.017 178.017 176.468 1.549 19939 250 1 1 . 1 1 123 123 SER CA C 123 61.540 61.540 61.035 0.505 19939 251 1 1 . 1 1 123 123 SER CB C 123 62.967 62.967 62.976 -0.009 19939 252 1 1 . 1 1 123 123 SER H H 123 8.043 8.043 8.264 -0.221 19939 253 1 1 . 1 1 124 124 LEU N N 124 126.780 126.780 123.525 3.255 19939 254 1 1 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.737 -0.089 19939 255 1 1 . 1 1 124 124 LEU C C 124 177.987 177.987 177.639 0.348 19939 256 1 1 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.469 0.794 19939 257 1 1 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.593 0.708 19939 258 1 1 . 1 1 124 124 LEU H H 124 7.686 7.686 7.500 0.186 19939 259 1 1 . 1 1 125 125 ALA N N 125 121.665 121.665 120.308 1.357 19939 260 1 1 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.962 -0.272 19939 261 1 1 . 1 1 125 125 ALA C C 125 180.032 180.032 179.630 0.402 19939 262 1 1 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.013 0.674 19939 263 1 1 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.375 -0.495 19939 264 1 1 . 1 1 125 125 ALA H H 125 8.912 8.912 8.104 0.808 19939 265 1 1 . 1 1 126 126 ASN N N 126 115.720 115.720 117.880 -2.160 19939 266 1 1 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.586 -0.093 19939 267 1 1 . 1 1 126 126 ASN C C 126 177.174 177.174 177.358 -0.184 19939 268 1 1 . 1 1 126 126 ASN CA C 126 56.371 56.371 56.385 -0.014 19939 269 1 1 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.726 -0.203 19939 270 1 1 . 1 1 126 126 ASN H H 126 7.963 7.963 7.834 0.129 19939 271 1 1 . 1 1 127 127 TYR N N 127 121.605 121.605 122.396 -0.791 19939 272 1 1 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.199 0.090 19939 273 1 1 . 1 1 127 127 TYR C C 127 177.895 177.895 177.076 0.819 19939 274 1 1 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.683 -0.107 19939 275 1 1 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.465 0.586 19939 276 1 1 . 1 1 127 127 TYR H H 127 7.746 7.746 8.309 -0.563 19939 277 1 1 . 1 1 128 128 LEU N N 128 119.365 119.365 117.995 1.370 19939 278 1 1 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.515 0.283 19939 279 1 1 . 1 1 128 128 LEU C C 128 179.418 179.418 178.453 0.965 19939 280 1 1 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.744 -0.008 19939 281 1 1 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.602 -0.709 19939 282 1 1 . 1 1 128 128 LEU H H 128 8.600 8.600 8.238 0.362 19939 283 1 1 . 1 1 129 129 HIS N N 129 115.982 115.982 117.121 -1.139 19939 284 1 1 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.195 0.319 19939 285 1 1 . 1 1 129 129 HIS C C 129 178.014 178.014 177.342 0.672 19939 286 1 1 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.081 -1.004 19939 287 1 1 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.783 -0.437 19939 288 1 1 . 1 1 129 129 HIS H H 129 8.041 8.041 7.668 0.373 19939 289 1 1 . 1 1 130 130 LYS N N 130 119.804 119.804 119.371 0.433 19939 290 1 1 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.967 0.115 19939 291 1 1 . 1 1 130 130 LYS C C 130 177.320 177.320 178.349 -1.029 19939 292 1 1 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.787 -0.426 19939 293 1 1 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.278 0.292 19939 294 1 1 . 1 1 130 130 LYS H H 130 8.136 8.136 8.045 0.091 19939 295 1 1 . 1 1 131 131 ASN N N 131 115.918 115.918 114.223 1.695 19939 296 1 1 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.606 0.050 19939 297 1 1 . 1 1 131 131 ASN C C 131 175.335 175.335 175.385 -0.050 19939 298 1 1 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.247 0.343 19939 299 1 1 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.933 0.347 19939 300 1 1 . 1 1 131 131 ASN H H 131 7.663 7.663 7.676 -0.013 19939 301 1 1 . 1 1 132 132 GLY N N 132 108.472 108.472 107.093 1.379 19939 302 1 1 . 1 1 132 132 GLY C C 132 174.647 174.647 173.783 0.864 19939 303 1 1 . 1 1 132 132 GLY CA C 132 46.329 46.329 44.869 1.460 19939 304 1 1 . 1 1 132 132 GLY H H 132 7.854 7.854 7.250 0.604 19939 305 1 1 . 1 1 133 133 GLU N N 133 120.028 120.028 121.793 -1.765 19939 306 1 1 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.370 -0.010 19939 307 1 1 . 1 1 133 133 GLU C C 133 177.324 177.324 175.459 1.865 19939 308 1 1 . 1 1 133 133 GLU CA C 133 56.712 56.712 56.248 0.465 19939 309 1 1 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.242 -0.353 19939 310 1 1 . 1 1 133 133 GLU H H 133 8.142 8.142 7.653 0.489 19939 311 1 1 . 1 1 134 134 THR N N 134 114.986 114.986 116.571 -1.585 19939 312 1 1 . 1 1 134 134 THR HA H 134 4.362 4.362 4.548 -0.186 19939 313 1 1 . 1 1 134 134 THR C C 134 174.926 174.926 175.016 -0.090 19939 314 1 1 . 1 1 134 134 THR CA C 134 62.028 62.028 61.934 0.094 19939 315 1 1 . 1 1 134 134 THR CB C 134 69.927 69.927 69.597 0.329 19939 316 1 1 . 1 1 134 134 THR H H 134 8.363 8.363 8.460 -0.097 19939 317 1 1 . 1 1 135 135 SER N N 135 118.353 118.353 117.049 1.304 19939 318 1 1 . 1 1 135 135 SER HA H 135 4.530 4.530 4.350 0.180 19939 319 1 1 . 1 1 135 135 SER C C 135 174.284 174.284 174.919 -0.635 19939 320 1 1 . 1 1 135 135 SER CA C 135 59.506 59.506 60.304 -0.798 19939 321 1 1 . 1 1 135 135 SER CB C 135 63.812 63.812 63.335 0.477 19939 322 1 1 . 1 1 135 135 SER H H 135 8.580 8.580 8.159 0.421 19939 323 1 1 . 1 1 136 136 LEU N N 136 122.995 122.995 122.649 0.346 19939 324 1 1 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.269 0.187 19939 325 1 1 . 1 1 136 136 LEU C C 136 175.105 175.105 176.074 -0.969 19939 326 1 1 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.821 -1.300 19939 327 1 1 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.783 1.693 19939 328 1 1 . 1 1 136 136 LEU H H 136 8.048 8.048 7.662 0.386 19939 329 1 1 . 1 1 137 137 LYS N N 137 121.086 121.086 120.732 0.354 19939 330 1 1 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.369 -0.303 19939 331 1 1 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.216 -0.015 19939 332 1 1 . 1 1 137 137 LYS H H 137 8.786 8.786 8.133 0.653 19939 333 1 1 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.070 -0.114 19939 334 1 1 . 1 1 138 138 PRO C C 138 177.652 177.652 176.665 0.987 19939 335 1 1 . 1 1 138 138 PRO CA C 138 66.037 66.037 64.930 1.107 19939 336 1 1 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.813 -0.344 19939 337 1 1 . 1 1 139 139 GLU N N 139 113.380 113.380 114.959 -1.579 19939 338 1 1 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.525 -0.380 19939 339 1 1 . 1 1 139 139 GLU C C 139 176.688 176.688 176.749 -0.061 19939 340 1 1 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.059 1.712 19939 341 1 1 . 1 1 139 139 GLU CB C 139 28.534 28.534 29.446 -0.912 19939 342 1 1 . 1 1 139 139 GLU H H 139 8.889 8.889 8.047 0.842 19939 343 1 1 . 1 1 140 140 ASP N N 140 119.519 119.519 119.929 -0.410 19939 344 1 1 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.529 -0.225 19939 345 1 1 . 1 1 140 140 ASP C C 140 174.537 174.537 176.679 -2.142 19939 346 1 1 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.603 0.305 19939 347 1 1 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.437 -0.564 19939 348 1 1 . 1 1 140 140 ASP H H 140 8.027 8.027 8.308 -0.281 19939 349 1 1 . 1 1 141 141 PHE N N 141 118.825 118.825 118.381 0.444 19939 350 1 1 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.010 -0.143 19939 351 1 1 . 1 1 141 141 PHE C C 141 173.522 173.522 174.525 -1.003 19939 352 1 1 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.682 0.586 19939 353 1 1 . 1 1 141 141 PHE CB C 141 39.479 39.479 38.808 0.671 19939 354 1 1 . 1 1 141 141 PHE H H 141 7.539 7.539 7.556 -0.017 19939 355 1 1 . 1 1 142 142 ASP N N 142 122.733 122.733 124.618 -1.885 19939 356 1 1 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.343 0.539 19939 357 1 1 . 1 1 142 142 ASP C C 142 176.424 176.424 175.428 0.996 19939 358 1 1 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.898 0.725 19939 359 1 1 . 1 1 142 142 ASP CB C 142 41.683 41.683 41.531 0.152 19939 360 1 1 . 1 1 142 142 ASP H H 142 8.546 8.546 8.187 0.359 19939 361 1 1 . 1 1 143 143 PHE N N 143 127.545 127.545 120.319 7.226 19939 362 1 1 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.904 -0.396 19939 363 1 1 . 1 1 143 143 PHE C C 143 174.878 174.878 176.016 -1.138 19939 364 1 1 . 1 1 143 143 PHE CA C 143 59.002 59.002 56.632 2.370 19939 365 1 1 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.494 0.010 19939 366 1 1 . 1 1 143 143 PHE H H 143 9.406 9.406 7.965 1.441 19939 367 1 1 . 1 1 144 144 THR N N 144 114.719 114.719 116.671 -1.952 19939 368 1 1 . 1 1 144 144 THR HA H 144 4.581 4.581 3.765 0.816 19939 369 1 1 . 1 1 144 144 THR CA C 144 62.519 62.519 61.779 0.740 19939 370 1 1 . 1 1 144 144 THR CB C 144 70.241 70.241 69.385 0.856 19939 371 1 1 . 1 1 144 144 THR H H 144 8.360 8.360 7.125 1.235 19939 372 1 1 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.375 -0.383 19939 373 1 1 . 1 1 145 145 VAL C C 145 176.097 176.097 175.587 0.510 19939 374 1 1 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.443 0.299 19939 375 1 1 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.067 0.448 19939 376 1 1 . 1 1 145 145 VAL H H 145 8.856 8.856 8.311 0.545 19939 377 1 1 . 1 1 146 146 LEU N N 146 124.454 124.454 118.641 5.813 19939 378 1 1 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.567 -0.201 19939 379 1 1 . 1 1 146 146 LEU C C 146 176.924 176.924 176.156 0.768 19939 380 1 1 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.073 0.890 19939 381 1 1 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.642 0.795 19939 382 1 1 . 1 1 146 146 LEU H H 146 8.082 8.082 7.432 0.650 19939 383 1 1 . 1 1 147 147 SER N N 147 117.581 117.581 111.871 5.710 19939 384 1 1 . 1 1 147 147 SER HA H 147 4.589 4.589 3.965 0.624 19939 385 1 1 . 1 1 147 147 SER C C 147 173.419 173.419 174.295 -0.876 19939 386 1 1 . 1 1 147 147 SER CA C 147 58.281 58.281 58.336 -0.055 19939 387 1 1 . 1 1 147 147 SER CB C 147 63.886 63.886 62.634 1.252 19939 388 1 1 . 1 1 147 147 SER H H 147 8.216 8.216 7.647 0.569 19939 389 1 2 . 1 1 79 79 SER C C 79 174.960 174.960 174.348 0.612 19939 390 1 2 . 1 1 79 79 SER CA C 79 58.539 58.539 59.681 -1.142 19939 391 1 2 . 1 1 79 79 SER CB C 79 64.005 64.005 61.656 2.349 19939 392 1 2 . 1 1 80 80 THR N N 80 115.664 115.664 117.278 -1.614 19939 393 1 2 . 1 1 80 80 THR HA H 80 4.389 4.389 4.471 -0.082 19939 394 1 2 . 1 1 80 80 THR C C 80 174.574 174.574 173.548 1.026 19939 395 1 2 . 1 1 80 80 THR CA C 80 62.123 62.123 62.205 -0.082 19939 396 1 2 . 1 1 80 80 THR CB C 80 69.660 69.660 70.196 -0.536 19939 397 1 2 . 1 1 80 80 THR H H 80 8.340 8.340 7.876 0.464 19939 398 1 2 . 1 1 81 81 GLU N N 81 123.120 123.120 120.966 2.154 19939 399 1 2 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.305 0.010 19939 400 1 2 . 1 1 81 81 GLU C C 81 176.123 176.123 175.928 0.195 19939 401 1 2 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.240 0.432 19939 402 1 2 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.170 1.090 19939 403 1 2 . 1 1 81 81 GLU H H 81 8.434 8.434 8.516 -0.082 19939 404 1 2 . 1 1 82 82 CYS N N 82 120.924 120.924 121.875 -0.951 19939 405 1 2 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.106 0.379 19939 406 1 2 . 1 1 82 82 CYS C C 82 174.341 174.341 175.801 -1.460 19939 407 1 2 . 1 1 82 82 CYS CA C 82 58.456 58.456 60.379 -1.923 19939 408 1 2 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.023 -0.034 19939 409 1 2 . 1 1 82 82 CYS H H 82 8.392 8.392 8.614 -0.222 19939 410 1 2 . 1 1 83 83 ARG N N 83 124.156 124.156 120.609 3.547 19939 411 1 2 . 1 1 83 83 ARG HA H 83 4.367 4.367 3.942 0.425 19939 412 1 2 . 1 1 83 83 ARG C C 83 176.140 176.140 174.764 1.376 19939 413 1 2 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.541 -1.273 19939 414 1 2 . 1 1 83 83 ARG CB C 83 30.862 30.862 29.318 1.544 19939 415 1 2 . 1 1 83 83 ARG H H 83 8.478 8.478 8.451 0.027 19939 416 1 2 . 1 1 84 84 LYS N N 84 122.766 122.766 119.478 3.288 19939 417 1 2 . 1 1 84 84 LYS C C 84 176.555 176.555 176.180 0.375 19939 418 1 2 . 1 1 84 84 LYS CA C 84 55.975 55.975 58.048 -2.073 19939 419 1 2 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.585 0.749 19939 420 1 2 . 1 1 84 84 LYS H H 84 8.413 8.413 7.933 0.480 19939 421 1 2 . 1 1 85 85 SER N N 85 118.305 118.305 117.094 1.211 19939 422 1 2 . 1 1 85 85 SER HA H 85 4.408 4.408 4.476 -0.068 19939 423 1 2 . 1 1 85 85 SER C C 85 173.669 173.669 172.914 0.755 19939 424 1 2 . 1 1 85 85 SER CA C 85 58.288 58.288 58.512 -0.224 19939 425 1 2 . 1 1 85 85 SER CB C 85 63.932 63.932 65.024 -1.092 19939 426 1 2 . 1 1 85 85 SER H H 85 8.440 8.440 8.640 -0.200 19939 427 1 2 . 1 1 86 86 VAL N N 86 123.628 123.628 122.772 0.856 19939 428 1 2 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.437 -0.152 19939 429 1 2 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.276 0.893 19939 430 1 2 . 1 1 86 86 VAL CB C 86 33.380 33.380 33.376 0.004 19939 431 1 2 . 1 1 86 86 VAL H H 86 8.279 8.279 8.021 0.258 19939 432 1 2 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.635 -0.434 19939 433 1 2 . 1 1 87 87 PRO C C 87 175.673 175.673 176.856 -1.183 19939 434 1 2 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.636 0.986 19939 435 1 2 . 1 1 87 87 PRO CB C 87 32.040 32.040 31.968 0.072 19939 436 1 2 . 1 1 88 88 CYS N N 88 120.983 120.983 121.118 -0.135 19939 437 1 2 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.603 -0.359 19939 438 1 2 . 1 1 88 88 CYS C C 88 176.345 176.345 176.158 0.187 19939 439 1 2 . 1 1 88 88 CYS CA C 88 61.162 61.162 59.242 1.921 19939 440 1 2 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.995 -2.075 19939 441 1 2 . 1 1 88 88 CYS H H 88 8.393 8.393 8.365 0.028 19939 442 1 2 . 1 1 89 89 GLY N N 89 115.997 115.997 110.972 5.025 19939 443 1 2 . 1 1 89 89 GLY C C 89 174.168 174.168 173.504 0.664 19939 444 1 2 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.969 0.481 19939 445 1 2 . 1 1 89 89 GLY H H 89 9.011 9.011 8.533 0.478 19939 446 1 2 . 1 1 90 90 TRP N N 90 121.603 121.603 119.856 1.747 19939 447 1 2 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.198 -0.226 19939 448 1 2 . 1 1 90 90 TRP C C 90 175.327 175.327 176.563 -1.236 19939 449 1 2 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.614 0.855 19939 450 1 2 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.899 -1.394 19939 451 1 2 . 1 1 90 90 TRP H H 90 8.406 8.406 7.508 0.898 19939 452 1 2 . 1 1 91 91 GLU N N 91 119.691 119.691 119.752 -0.061 19939 453 1 2 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.830 0.021 19939 454 1 2 . 1 1 91 91 GLU C C 91 174.309 174.309 175.752 -1.443 19939 455 1 2 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.587 -0.522 19939 456 1 2 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.310 0.103 19939 457 1 2 . 1 1 91 91 GLU H H 91 8.963 8.963 8.633 0.330 19939 458 1 2 . 1 1 92 92 ARG N N 92 126.749 126.749 122.459 4.290 19939 459 1 2 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.043 -0.608 19939 460 1 2 . 1 1 92 92 ARG C C 92 174.635 174.635 175.503 -0.868 19939 461 1 2 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.525 -0.694 19939 462 1 2 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.137 1.016 19939 463 1 2 . 1 1 92 92 ARG H H 92 8.944 8.944 8.578 0.366 19939 464 1 2 . 1 1 93 93 VAL N N 93 130.450 130.450 125.999 4.451 19939 465 1 2 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.300 -0.171 19939 466 1 2 . 1 1 93 93 VAL C C 93 173.391 173.391 173.908 -0.517 19939 467 1 2 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.691 0.863 19939 468 1 2 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.901 -0.575 19939 469 1 2 . 1 1 93 93 VAL H H 93 9.096 9.096 8.131 0.965 19939 470 1 2 . 1 1 94 94 VAL N N 94 125.534 125.534 121.916 3.618 19939 471 1 2 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.060 -0.405 19939 472 1 2 . 1 1 94 94 VAL C C 94 175.830 175.830 175.220 0.610 19939 473 1 2 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.259 1.036 19939 474 1 2 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.550 -1.486 19939 475 1 2 . 1 1 94 94 VAL H H 94 8.341 8.341 8.192 0.149 19939 476 1 2 . 1 1 95 95 LYS N N 95 128.357 128.357 126.923 1.434 19939 477 1 2 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.794 0.090 19939 478 1 2 . 1 1 95 95 LYS C C 95 175.169 175.169 175.630 -0.461 19939 479 1 2 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.144 -0.408 19939 480 1 2 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.617 0.573 19939 481 1 2 . 1 1 95 95 LYS H H 95 9.158 9.158 9.000 0.158 19939 482 1 2 . 1 1 96 96 GLN N N 96 128.341 128.341 123.133 5.208 19939 483 1 2 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.828 -0.358 19939 484 1 2 . 1 1 96 96 GLN C C 96 175.665 175.665 175.834 -0.169 19939 485 1 2 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.429 0.378 19939 486 1 2 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.630 0.489 19939 487 1 2 . 1 1 96 96 GLN H H 96 8.943 8.943 8.517 0.426 19939 488 1 2 . 1 1 97 97 ARG N N 97 127.147 127.147 121.891 5.256 19939 489 1 2 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.294 0.145 19939 490 1 2 . 1 1 97 97 ARG C C 97 178.214 178.214 176.555 1.659 19939 491 1 2 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.621 2.098 19939 492 1 2 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.406 -0.081 19939 493 1 2 . 1 1 97 97 ARG H H 97 9.117 9.117 8.343 0.774 19939 494 1 2 . 1 1 98 98 LEU N N 98 125.934 125.934 121.887 4.047 19939 495 1 2 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.155 0.187 19939 496 1 2 . 1 1 98 98 LEU C C 98 176.647 176.647 175.966 0.681 19939 497 1 2 . 1 1 98 98 LEU CA C 98 55.683 55.683 55.769 -0.086 19939 498 1 2 . 1 1 98 98 LEU CB C 98 44.063 44.063 42.752 1.312 19939 499 1 2 . 1 1 98 98 LEU H H 98 9.054 9.054 8.507 0.547 19939 500 1 2 . 1 1 99 99 PHE N N 99 119.325 119.325 118.183 1.142 19939 501 1 2 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.689 0.262 19939 502 1 2 . 1 1 99 99 PHE C C 99 173.854 173.854 175.987 -2.133 19939 503 1 2 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.437 -0.733 19939 504 1 2 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.631 1.124 19939 505 1 2 . 1 1 99 99 PHE H H 99 8.245 8.245 7.718 0.527 19939 506 1 2 . 1 1 100 100 GLY N N 100 104.714 104.714 110.563 -5.849 19939 507 1 2 . 1 1 100 100 GLY C C 100 176.173 176.173 174.622 1.551 19939 508 1 2 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.352 -0.228 19939 509 1 2 . 1 1 100 100 GLY H H 100 8.111 8.111 7.945 0.166 19939 510 1 2 . 1 1 101 101 LYS N N 101 122.597 122.597 120.540 2.057 19939 511 1 2 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.096 0.016 19939 512 1 2 . 1 1 101 101 LYS C C 101 179.615 179.615 176.572 3.043 19939 513 1 2 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.153 1.517 19939 514 1 2 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.523 0.251 19939 515 1 2 . 1 1 101 101 LYS H H 101 9.134 9.134 8.691 0.443 19939 516 1 2 . 1 1 102 102 THR N N 102 108.650 108.650 107.315 1.335 19939 517 1 2 . 1 1 102 102 THR HA H 102 4.339 4.339 4.340 -0.001 19939 518 1 2 . 1 1 102 102 THR C C 102 172.966 172.966 174.756 -1.790 19939 519 1 2 . 1 1 102 102 THR CA C 102 61.304 61.304 61.075 0.230 19939 520 1 2 . 1 1 102 102 THR CB C 102 68.948 68.948 69.276 -0.328 19939 521 1 2 . 1 1 102 102 THR H H 102 8.982 8.982 7.582 1.400 19939 522 1 2 . 1 1 103 103 ALA N N 103 123.171 123.171 125.549 -2.378 19939 523 1 2 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.901 -0.534 19939 524 1 2 . 1 1 103 103 ALA C C 103 178.082 178.082 177.577 0.505 19939 525 1 2 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.545 0.570 19939 526 1 2 . 1 1 103 103 ALA CB C 103 17.941 17.941 17.630 0.311 19939 527 1 2 . 1 1 103 103 ALA H H 103 6.932 6.932 7.888 -0.956 19939 528 1 2 . 1 1 104 104 GLY N N 104 111.443 111.443 111.239 0.204 19939 529 1 2 . 1 1 104 104 GLY C C 104 175.274 175.274 174.225 1.049 19939 530 1 2 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.429 0.055 19939 531 1 2 . 1 1 104 104 GLY H H 104 8.545 8.545 7.738 0.807 19939 532 1 2 . 1 1 105 105 ARG N N 105 119.647 119.647 121.778 -2.131 19939 533 1 2 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.334 0.083 19939 534 1 2 . 1 1 105 105 ARG C C 105 174.184 174.184 174.830 -0.646 19939 535 1 2 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.302 0.442 19939 536 1 2 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.275 -0.534 19939 537 1 2 . 1 1 105 105 ARG H H 105 7.646 7.646 8.010 -0.364 19939 538 1 2 . 1 1 106 106 PHE N N 106 117.619 117.619 120.378 -2.759 19939 539 1 2 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.725 0.698 19939 540 1 2 . 1 1 106 106 PHE C C 106 175.443 175.443 175.494 -0.051 19939 541 1 2 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.569 -0.381 19939 542 1 2 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.357 1.171 19939 543 1 2 . 1 1 106 106 PHE H H 106 8.745 8.745 8.425 0.320 19939 544 1 2 . 1 1 107 107 ASP N N 107 119.340 119.340 125.942 -6.602 19939 545 1 2 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.185 -0.007 19939 546 1 2 . 1 1 107 107 ASP C C 107 173.615 173.615 174.776 -1.161 19939 547 1 2 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.736 -0.033 19939 548 1 2 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.154 2.136 19939 549 1 2 . 1 1 107 107 ASP H H 107 8.858 8.858 8.737 0.121 19939 550 1 2 . 1 1 108 108 VAL N N 108 121.639 121.639 119.239 2.400 19939 551 1 2 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.397 -0.484 19939 552 1 2 . 1 1 108 108 VAL C C 108 174.762 174.762 174.428 0.334 19939 553 1 2 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.600 1.232 19939 554 1 2 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.431 -1.492 19939 555 1 2 . 1 1 108 108 VAL H H 108 8.550 8.550 8.568 -0.018 19939 556 1 2 . 1 1 109 109 TYR N N 109 121.685 121.685 117.675 4.010 19939 557 1 2 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.856 0.563 19939 558 1 2 . 1 1 109 109 TYR C C 109 173.430 173.430 173.324 0.106 19939 559 1 2 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.327 -0.867 19939 560 1 2 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.863 2.178 19939 561 1 2 . 1 1 109 109 TYR H H 109 8.894 8.894 7.866 1.028 19939 562 1 2 . 1 1 110 110 PHE N N 110 117.355 117.355 116.750 0.605 19939 563 1 2 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.688 0.157 19939 564 1 2 . 1 1 110 110 PHE C C 110 175.425 175.425 174.968 0.457 19939 565 1 2 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.815 1.882 19939 566 1 2 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.166 2.952 19939 567 1 2 . 1 1 110 110 PHE H H 110 8.898 8.898 7.084 1.814 19939 568 1 2 . 1 1 111 111 ILE N N 111 121.807 121.807 122.276 -0.469 19939 569 1 2 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.982 0.248 19939 570 1 2 . 1 1 111 111 ILE C C 111 176.355 176.355 176.308 0.047 19939 571 1 2 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.095 -0.116 19939 572 1 2 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.152 -0.251 19939 573 1 2 . 1 1 111 111 ILE H H 111 9.660 9.660 8.601 1.059 19939 574 1 2 . 1 1 112 112 SER N N 112 126.063 126.063 123.198 2.865 19939 575 1 2 . 1 1 112 112 SER HA H 112 3.051 3.051 3.429 -0.378 19939 576 1 2 . 1 1 112 112 SER CA C 112 56.697 56.697 57.221 -0.524 19939 577 1 2 . 1 1 112 112 SER CB C 112 63.153 63.153 62.872 0.281 19939 578 1 2 . 1 1 112 112 SER H H 112 9.416 9.416 8.825 0.591 19939 579 1 2 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.091 0.168 19939 580 1 2 . 1 1 113 113 PRO C C 113 177.214 177.214 177.611 -0.397 19939 581 1 2 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.191 -0.277 19939 582 1 2 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.721 -0.293 19939 583 1 2 . 1 1 114 114 GLN N N 114 112.298 112.298 115.656 -3.358 19939 584 1 2 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.234 0.149 19939 585 1 2 . 1 1 114 114 GLN C C 114 175.990 175.990 176.980 -0.990 19939 586 1 2 . 1 1 114 114 GLN CA C 114 55.814 55.814 56.143 -0.329 19939 587 1 2 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.377 0.272 19939 588 1 2 . 1 1 114 114 GLN H H 114 7.175 7.175 8.143 -0.968 19939 589 1 2 . 1 1 115 115 GLY N N 115 108.911 108.911 106.156 2.755 19939 590 1 2 . 1 1 115 115 GLY C C 115 174.162 174.162 173.837 0.325 19939 591 1 2 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.032 0.286 19939 592 1 2 . 1 1 115 115 GLY H H 115 8.150 8.150 8.305 -0.155 19939 593 1 2 . 1 1 116 116 LEU N N 116 121.038 121.038 121.925 -0.887 19939 594 1 2 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.098 0.084 19939 595 1 2 . 1 1 116 116 LEU C C 116 175.187 175.187 175.688 -0.501 19939 596 1 2 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.266 0.506 19939 597 1 2 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.190 0.353 19939 598 1 2 . 1 1 116 116 LEU H H 116 7.166 7.166 7.397 -0.231 19939 599 1 2 . 1 1 117 117 LYS N N 117 121.584 121.584 121.531 0.053 19939 600 1 2 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.270 0.999 19939 601 1 2 . 1 1 117 117 LYS C C 117 175.984 175.984 175.232 0.752 19939 602 1 2 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.843 -0.410 19939 603 1 2 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.401 1.163 19939 604 1 2 . 1 1 117 117 LYS H H 117 8.238 8.238 7.944 0.294 19939 605 1 2 . 1 1 118 118 PHE N N 118 121.828 121.828 122.021 -0.193 19939 606 1 2 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.623 0.289 19939 607 1 2 . 1 1 118 118 PHE C C 118 176.449 176.449 174.031 2.418 19939 608 1 2 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.045 0.961 19939 609 1 2 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.307 0.661 19939 610 1 2 . 1 1 118 118 PHE H H 118 9.639 9.639 8.479 1.160 19939 611 1 2 . 1 1 119 119 ARG N N 119 119.546 119.546 120.459 -0.913 19939 612 1 2 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.151 0.960 19939 613 1 2 . 1 1 119 119 ARG C C 119 174.704 174.704 175.032 -0.328 19939 614 1 2 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.477 -0.306 19939 615 1 2 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.814 0.006 19939 616 1 2 . 1 1 119 119 ARG H H 119 9.589 9.589 8.477 1.112 19939 617 1 2 . 1 1 120 120 SER N N 120 110.737 110.737 116.691 -5.954 19939 618 1 2 . 1 1 120 120 SER HA H 120 4.341 4.341 4.850 -0.509 19939 619 1 2 . 1 1 120 120 SER C C 120 172.793 172.793 175.123 -2.330 19939 620 1 2 . 1 1 120 120 SER CA C 120 56.032 56.032 57.446 -1.414 19939 621 1 2 . 1 1 120 120 SER CB C 120 66.492 66.492 66.011 0.481 19939 622 1 2 . 1 1 120 120 SER H H 120 7.625 7.625 7.905 -0.280 19939 623 1 2 . 1 1 121 121 LYS N N 121 125.451 125.451 124.466 0.985 19939 624 1 2 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.132 -0.498 19939 625 1 2 . 1 1 121 121 LYS C C 121 178.826 178.826 178.151 0.675 19939 626 1 2 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.530 0.105 19939 627 1 2 . 1 1 121 121 LYS CB C 121 31.154 31.154 31.535 -0.381 19939 628 1 2 . 1 1 121 121 LYS H H 121 8.816 8.816 8.999 -0.183 19939 629 1 2 . 1 1 122 122 SER N N 122 115.374 115.374 116.783 -1.409 19939 630 1 2 . 1 1 122 122 SER HA H 122 4.136 4.136 4.341 -0.205 19939 631 1 2 . 1 1 122 122 SER C C 122 177.427 177.427 176.730 0.697 19939 632 1 2 . 1 1 122 122 SER CA C 122 61.492 61.492 61.344 0.148 19939 633 1 2 . 1 1 122 122 SER CB C 122 62.342 62.342 62.363 -0.021 19939 634 1 2 . 1 1 122 122 SER H H 122 8.834 8.834 8.396 0.438 19939 635 1 2 . 1 1 123 123 SER N N 123 118.263 118.263 116.928 1.335 19939 636 1 2 . 1 1 123 123 SER HA H 123 4.418 4.418 4.358 0.060 19939 637 1 2 . 1 1 123 123 SER C C 123 178.017 178.017 176.464 1.553 19939 638 1 2 . 1 1 123 123 SER CA C 123 61.540 61.540 61.086 0.454 19939 639 1 2 . 1 1 123 123 SER CB C 123 62.967 62.967 62.744 0.223 19939 640 1 2 . 1 1 123 123 SER H H 123 8.043 8.043 8.120 -0.077 19939 641 1 2 . 1 1 124 124 LEU N N 124 126.780 126.780 122.891 3.889 19939 642 1 2 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.570 0.078 19939 643 1 2 . 1 1 124 124 LEU C C 124 177.987 177.987 177.689 0.298 19939 644 1 2 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.742 0.521 19939 645 1 2 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.447 0.854 19939 646 1 2 . 1 1 124 124 LEU H H 124 7.686 7.686 7.754 -0.068 19939 647 1 2 . 1 1 125 125 ALA N N 125 121.665 121.665 119.953 1.712 19939 648 1 2 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.992 -0.302 19939 649 1 2 . 1 1 125 125 ALA C C 125 180.032 180.032 179.661 0.371 19939 650 1 2 . 1 1 125 125 ALA CA C 125 55.687 55.687 54.982 0.705 19939 651 1 2 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.250 -0.370 19939 652 1 2 . 1 1 125 125 ALA H H 125 8.912 8.912 8.405 0.507 19939 653 1 2 . 1 1 126 126 ASN N N 126 115.720 115.720 117.870 -2.150 19939 654 1 2 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.617 -0.124 19939 655 1 2 . 1 1 126 126 ASN C C 126 177.174 177.174 176.996 0.178 19939 656 1 2 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.665 0.706 19939 657 1 2 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.746 -0.223 19939 658 1 2 . 1 1 126 126 ASN H H 126 7.963 7.963 8.013 -0.050 19939 659 1 2 . 1 1 127 127 TYR N N 127 121.605 121.605 122.106 -0.501 19939 660 1 2 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.235 0.054 19939 661 1 2 . 1 1 127 127 TYR C C 127 177.895 177.895 177.710 0.185 19939 662 1 2 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.770 -0.194 19939 663 1 2 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.440 0.611 19939 664 1 2 . 1 1 127 127 TYR H H 127 7.746 7.746 8.448 -0.702 19939 665 1 2 . 1 1 128 128 LEU N N 128 119.365 119.365 117.952 1.413 19939 666 1 2 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.454 0.344 19939 667 1 2 . 1 1 128 128 LEU C C 128 179.418 179.418 178.480 0.938 19939 668 1 2 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.714 0.022 19939 669 1 2 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.501 -0.608 19939 670 1 2 . 1 1 128 128 LEU H H 128 8.600 8.600 8.221 0.379 19939 671 1 2 . 1 1 129 129 HIS N N 129 115.982 115.982 117.207 -1.225 19939 672 1 2 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.165 0.349 19939 673 1 2 . 1 1 129 129 HIS C C 129 178.014 178.014 177.343 0.671 19939 674 1 2 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.155 -1.077 19939 675 1 2 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.792 -0.446 19939 676 1 2 . 1 1 129 129 HIS H H 129 8.041 8.041 7.674 0.367 19939 677 1 2 . 1 1 130 130 LYS N N 130 119.804 119.804 118.552 1.252 19939 678 1 2 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.982 0.100 19939 679 1 2 . 1 1 130 130 LYS C C 130 177.320 177.320 178.350 -1.030 19939 680 1 2 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.930 -0.569 19939 681 1 2 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.254 0.316 19939 682 1 2 . 1 1 130 130 LYS H H 130 8.136 8.136 7.985 0.151 19939 683 1 2 . 1 1 131 131 ASN N N 131 115.918 115.918 115.065 0.853 19939 684 1 2 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.548 0.108 19939 685 1 2 . 1 1 131 131 ASN C C 131 175.335 175.335 175.665 -0.330 19939 686 1 2 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.347 0.243 19939 687 1 2 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.972 0.307 19939 688 1 2 . 1 1 131 131 ASN H H 131 7.663 7.663 7.638 0.025 19939 689 1 2 . 1 1 132 132 GLY N N 132 108.472 108.472 107.571 0.901 19939 690 1 2 . 1 1 132 132 GLY C C 132 174.647 174.647 173.682 0.965 19939 691 1 2 . 1 1 132 132 GLY CA C 132 46.329 46.329 44.967 1.362 19939 692 1 2 . 1 1 132 132 GLY H H 132 7.854 7.854 7.454 0.400 19939 693 1 2 . 1 1 133 133 GLU N N 133 120.028 120.028 121.971 -1.943 19939 694 1 2 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.386 -0.026 19939 695 1 2 . 1 1 133 133 GLU C C 133 177.324 177.324 175.623 1.701 19939 696 1 2 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.492 1.220 19939 697 1 2 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.442 -0.553 19939 698 1 2 . 1 1 133 133 GLU H H 133 8.142 8.142 7.576 0.566 19939 699 1 2 . 1 1 134 134 THR N N 134 114.986 114.986 117.070 -2.084 19939 700 1 2 . 1 1 134 134 THR HA H 134 4.362 4.362 4.579 -0.217 19939 701 1 2 . 1 1 134 134 THR C C 134 174.926 174.926 175.425 -0.499 19939 702 1 2 . 1 1 134 134 THR CA C 134 62.028 62.028 62.059 -0.031 19939 703 1 2 . 1 1 134 134 THR CB C 134 69.927 69.927 69.933 -0.006 19939 704 1 2 . 1 1 134 134 THR H H 134 8.363 8.363 8.283 0.080 19939 705 1 2 . 1 1 135 135 SER N N 135 118.353 118.353 117.881 0.472 19939 706 1 2 . 1 1 135 135 SER HA H 135 4.530 4.530 4.330 0.200 19939 707 1 2 . 1 1 135 135 SER C C 135 174.284 174.284 174.767 -0.483 19939 708 1 2 . 1 1 135 135 SER CA C 135 59.506 59.506 59.448 0.058 19939 709 1 2 . 1 1 135 135 SER CB C 135 63.812 63.812 63.408 0.404 19939 710 1 2 . 1 1 135 135 SER H H 135 8.580 8.580 8.365 0.215 19939 711 1 2 . 1 1 136 136 LEU N N 136 122.995 122.995 122.059 0.936 19939 712 1 2 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.312 0.144 19939 713 1 2 . 1 1 136 136 LEU C C 136 175.105 175.105 176.057 -0.952 19939 714 1 2 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.418 -0.897 19939 715 1 2 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.076 2.400 19939 716 1 2 . 1 1 136 136 LEU H H 136 8.048 8.048 7.858 0.190 19939 717 1 2 . 1 1 137 137 LYS N N 137 121.086 121.086 121.781 -0.695 19939 718 1 2 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.310 -0.244 19939 719 1 2 . 1 1 137 137 LYS CB C 137 33.201 33.201 31.883 1.319 19939 720 1 2 . 1 1 137 137 LYS H H 137 8.786 8.786 7.956 0.830 19939 721 1 2 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.416 -0.460 19939 722 1 2 . 1 1 138 138 PRO C C 138 177.652 177.652 177.756 -0.104 19939 723 1 2 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.363 0.674 19939 724 1 2 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.896 -0.427 19939 725 1 2 . 1 1 139 139 GLU N N 139 113.380 113.380 115.467 -2.087 19939 726 1 2 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.884 0.261 19939 727 1 2 . 1 1 139 139 GLU C C 139 176.688 176.688 177.020 -0.332 19939 728 1 2 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.659 1.112 19939 729 1 2 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.222 0.312 19939 730 1 2 . 1 1 139 139 GLU H H 139 8.889 8.889 8.625 0.264 19939 731 1 2 . 1 1 140 140 ASP N N 140 119.519 119.519 119.177 0.342 19939 732 1 2 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.271 0.033 19939 733 1 2 . 1 1 140 140 ASP C C 140 174.537 174.537 175.905 -1.368 19939 734 1 2 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.424 0.484 19939 735 1 2 . 1 1 140 140 ASP CB C 140 40.873 40.873 40.906 -0.033 19939 736 1 2 . 1 1 140 140 ASP H H 140 8.027 8.027 8.292 -0.265 19939 737 1 2 . 1 1 141 141 PHE N N 141 118.825 118.825 119.037 -0.212 19939 738 1 2 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.241 -0.374 19939 739 1 2 . 1 1 141 141 PHE C C 141 173.522 173.522 173.731 -0.209 19939 740 1 2 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.070 1.198 19939 741 1 2 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.503 -0.024 19939 742 1 2 . 1 1 141 141 PHE H H 141 7.539 7.539 7.143 0.396 19939 743 1 2 . 1 1 142 142 ASP N N 142 122.733 122.733 123.415 -0.682 19939 744 1 2 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.359 0.522 19939 745 1 2 . 1 1 142 142 ASP C C 142 176.424 176.424 175.242 1.182 19939 746 1 2 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.332 1.291 19939 747 1 2 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.023 -0.340 19939 748 1 2 . 1 1 142 142 ASP H H 142 8.546 8.546 8.037 0.509 19939 749 1 2 . 1 1 143 143 PHE N N 143 127.545 127.545 120.580 6.965 19939 750 1 2 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.374 0.134 19939 751 1 2 . 1 1 143 143 PHE C C 143 174.878 174.878 176.435 -1.557 19939 752 1 2 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.989 0.013 19939 753 1 2 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.510 -0.006 19939 754 1 2 . 1 1 143 143 PHE H H 143 9.406 9.406 8.444 0.962 19939 755 1 2 . 1 1 144 144 THR N N 144 114.719 114.719 114.801 -0.082 19939 756 1 2 . 1 1 144 144 THR HA H 144 4.581 4.581 4.193 0.388 19939 757 1 2 . 1 1 144 144 THR CA C 144 62.519 62.519 64.361 -1.842 19939 758 1 2 . 1 1 144 144 THR CB C 144 70.241 70.241 68.641 1.600 19939 759 1 2 . 1 1 144 144 THR H H 144 8.360 8.360 8.516 -0.156 19939 760 1 2 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.867 0.125 19939 761 1 2 . 1 1 145 145 VAL C C 145 176.097 176.097 175.110 0.987 19939 762 1 2 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.213 0.529 19939 763 1 2 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.672 0.843 19939 764 1 2 . 1 1 145 145 VAL H H 145 8.856 8.856 7.613 1.243 19939 765 1 2 . 1 1 146 146 LEU N N 146 124.454 124.454 122.177 2.277 19939 766 1 2 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.652 -0.286 19939 767 1 2 . 1 1 146 146 LEU C C 146 176.924 176.924 176.600 0.324 19939 768 1 2 . 1 1 146 146 LEU CA C 146 54.963 54.963 55.719 -0.756 19939 769 1 2 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.522 -0.083 19939 770 1 2 . 1 1 146 146 LEU H H 146 8.082 8.082 8.154 -0.072 19939 771 1 2 . 1 1 147 147 SER N N 147 117.581 117.581 120.799 -3.218 19939 772 1 2 . 1 1 147 147 SER HA H 147 4.589 4.589 4.458 0.131 19939 773 1 2 . 1 1 147 147 SER C C 147 173.419 173.419 173.971 -0.552 19939 774 1 2 . 1 1 147 147 SER CA C 147 58.281 58.281 59.038 -0.757 19939 775 1 2 . 1 1 147 147 SER CB C 147 63.886 63.886 63.957 -0.071 19939 776 1 2 . 1 1 147 147 SER H H 147 8.216 8.216 9.175 -0.959 19939 777 1 3 . 1 1 79 79 SER C C 79 174.960 174.960 175.011 -0.051 19939 778 1 3 . 1 1 79 79 SER CA C 79 58.539 58.539 58.041 0.498 19939 779 1 3 . 1 1 79 79 SER CB C 79 64.005 64.005 64.127 -0.122 19939 780 1 3 . 1 1 80 80 THR N N 80 115.664 115.664 113.495 2.169 19939 781 1 3 . 1 1 80 80 THR HA H 80 4.389 4.389 4.361 0.028 19939 782 1 3 . 1 1 80 80 THR C C 80 174.574 174.574 174.611 -0.037 19939 783 1 3 . 1 1 80 80 THR CA C 80 62.123 62.123 61.626 0.497 19939 784 1 3 . 1 1 80 80 THR CB C 80 69.660 69.660 69.614 0.047 19939 785 1 3 . 1 1 80 80 THR H H 80 8.340 8.340 8.114 0.226 19939 786 1 3 . 1 1 81 81 GLU N N 81 123.120 123.120 122.370 0.750 19939 787 1 3 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.223 0.092 19939 788 1 3 . 1 1 81 81 GLU C C 81 176.123 176.123 176.290 -0.167 19939 789 1 3 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.229 0.443 19939 790 1 3 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.168 1.092 19939 791 1 3 . 1 1 81 81 GLU H H 81 8.434 8.434 8.689 -0.255 19939 792 1 3 . 1 1 82 82 CYS N N 82 120.924 120.924 124.109 -3.185 19939 793 1 3 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.082 0.403 19939 794 1 3 . 1 1 82 82 CYS C C 82 174.341 174.341 174.429 -0.088 19939 795 1 3 . 1 1 82 82 CYS CA C 82 58.456 58.456 60.094 -1.638 19939 796 1 3 . 1 1 82 82 CYS CB C 82 27.989 27.989 26.860 1.129 19939 797 1 3 . 1 1 82 82 CYS H H 82 8.392 8.392 8.643 -0.251 19939 798 1 3 . 1 1 83 83 ARG N N 83 124.156 124.156 122.865 1.291 19939 799 1 3 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.236 0.131 19939 800 1 3 . 1 1 83 83 ARG C C 83 176.140 176.140 176.089 0.051 19939 801 1 3 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.320 -0.052 19939 802 1 3 . 1 1 83 83 ARG CB C 83 30.862 30.862 31.599 -0.738 19939 803 1 3 . 1 1 83 83 ARG H H 83 8.478 8.478 8.292 0.186 19939 804 1 3 . 1 1 84 84 LYS N N 84 122.766 122.766 121.356 1.410 19939 805 1 3 . 1 1 84 84 LYS C C 84 176.555 176.555 175.760 0.795 19939 806 1 3 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.300 -1.325 19939 807 1 3 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.922 1.411 19939 808 1 3 . 1 1 84 84 LYS H H 84 8.413 8.413 8.524 -0.111 19939 809 1 3 . 1 1 85 85 SER N N 85 118.305 118.305 118.187 0.118 19939 810 1 3 . 1 1 85 85 SER HA H 85 4.408 4.408 4.357 0.051 19939 811 1 3 . 1 1 85 85 SER C C 85 173.669 173.669 172.869 0.800 19939 812 1 3 . 1 1 85 85 SER CA C 85 58.288 58.288 58.265 0.023 19939 813 1 3 . 1 1 85 85 SER CB C 85 63.932 63.932 63.748 0.184 19939 814 1 3 . 1 1 85 85 SER H H 85 8.440 8.440 7.958 0.482 19939 815 1 3 . 1 1 86 86 VAL N N 86 123.628 123.628 124.492 -0.864 19939 816 1 3 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.452 -0.167 19939 817 1 3 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.591 0.578 19939 818 1 3 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.078 1.302 19939 819 1 3 . 1 1 86 86 VAL H H 86 8.279 8.279 8.125 0.154 19939 820 1 3 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.625 -0.424 19939 821 1 3 . 1 1 87 87 PRO C C 87 175.673 175.673 177.407 -1.734 19939 822 1 3 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.025 1.597 19939 823 1 3 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.397 -0.357 19939 824 1 3 . 1 1 88 88 CYS N N 88 120.983 120.983 123.247 -2.264 19939 825 1 3 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.281 -0.037 19939 826 1 3 . 1 1 88 88 CYS C C 88 176.345 176.345 176.173 0.172 19939 827 1 3 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.449 -0.287 19939 828 1 3 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.844 -0.924 19939 829 1 3 . 1 1 88 88 CYS H H 88 8.393 8.393 8.439 -0.046 19939 830 1 3 . 1 1 89 89 GLY N N 89 115.997 115.997 115.012 0.985 19939 831 1 3 . 1 1 89 89 GLY C C 89 174.168 174.168 173.556 0.612 19939 832 1 3 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.815 0.636 19939 833 1 3 . 1 1 89 89 GLY H H 89 9.011 9.011 8.559 0.452 19939 834 1 3 . 1 1 90 90 TRP N N 90 121.603 121.603 121.310 0.293 19939 835 1 3 . 1 1 90 90 TRP HA H 90 4.972 4.972 4.981 -0.009 19939 836 1 3 . 1 1 90 90 TRP C C 90 175.327 175.327 176.500 -1.173 19939 837 1 3 . 1 1 90 90 TRP CA C 90 57.469 57.469 57.175 0.294 19939 838 1 3 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.758 -1.253 19939 839 1 3 . 1 1 90 90 TRP H H 90 8.406 8.406 7.652 0.754 19939 840 1 3 . 1 1 91 91 GLU N N 91 119.691 119.691 121.160 -1.469 19939 841 1 3 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.838 0.013 19939 842 1 3 . 1 1 91 91 GLU C C 91 174.309 174.309 175.173 -0.864 19939 843 1 3 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.972 0.092 19939 844 1 3 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.758 -0.345 19939 845 1 3 . 1 1 91 91 GLU H H 91 8.963 8.963 8.536 0.427 19939 846 1 3 . 1 1 92 92 ARG N N 92 126.749 126.749 123.640 3.109 19939 847 1 3 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.179 -0.744 19939 848 1 3 . 1 1 92 92 ARG C C 92 174.635 174.635 174.962 -0.327 19939 849 1 3 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.279 -0.448 19939 850 1 3 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.371 0.782 19939 851 1 3 . 1 1 92 92 ARG H H 92 8.944 8.944 8.586 0.358 19939 852 1 3 . 1 1 93 93 VAL N N 93 130.450 130.450 126.813 3.637 19939 853 1 3 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.343 -0.214 19939 854 1 3 . 1 1 93 93 VAL C C 93 173.391 173.391 173.927 -0.536 19939 855 1 3 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.547 1.007 19939 856 1 3 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.170 -0.844 19939 857 1 3 . 1 1 93 93 VAL H H 93 9.096 9.096 8.299 0.797 19939 858 1 3 . 1 1 94 94 VAL N N 94 125.534 125.534 120.838 4.696 19939 859 1 3 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.168 -0.513 19939 860 1 3 . 1 1 94 94 VAL C C 94 175.830 175.830 175.235 0.595 19939 861 1 3 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.233 1.062 19939 862 1 3 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.339 -1.275 19939 863 1 3 . 1 1 94 94 VAL H H 94 8.341 8.341 8.258 0.083 19939 864 1 3 . 1 1 95 95 LYS N N 95 128.357 128.357 125.461 2.896 19939 865 1 3 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.693 0.191 19939 866 1 3 . 1 1 95 95 LYS C C 95 175.169 175.169 175.180 -0.011 19939 867 1 3 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.828 -0.092 19939 868 1 3 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.235 0.955 19939 869 1 3 . 1 1 95 95 LYS H H 95 9.158 9.158 8.992 0.166 19939 870 1 3 . 1 1 96 96 GLN N N 96 128.341 128.341 126.023 2.318 19939 871 1 3 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.191 0.279 19939 872 1 3 . 1 1 96 96 GLN C C 96 175.665 175.665 176.141 -0.476 19939 873 1 3 . 1 1 96 96 GLN CA C 96 54.807 54.807 56.070 -1.263 19939 874 1 3 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.592 0.527 19939 875 1 3 . 1 1 96 96 GLN H H 96 8.943 8.943 8.665 0.278 19939 876 1 3 . 1 1 97 97 ARG N N 97 127.147 127.147 125.095 2.052 19939 877 1 3 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.205 0.234 19939 878 1 3 . 1 1 97 97 ARG C C 97 178.214 178.214 175.951 2.263 19939 879 1 3 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.007 1.712 19939 880 1 3 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.279 0.046 19939 881 1 3 . 1 1 97 97 ARG H H 97 9.117 9.117 8.202 0.915 19939 882 1 3 . 1 1 98 98 LEU N N 98 125.934 125.934 119.709 6.225 19939 883 1 3 . 1 1 98 98 LEU HA H 98 4.342 4.342 3.567 0.775 19939 884 1 3 . 1 1 98 98 LEU C C 98 176.647 176.647 176.203 0.444 19939 885 1 3 . 1 1 98 98 LEU CA C 98 55.683 55.683 55.816 -0.133 19939 886 1 3 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.570 2.493 19939 887 1 3 . 1 1 98 98 LEU H H 98 9.054 9.054 8.116 0.938 19939 888 1 3 . 1 1 99 99 PHE N N 99 119.325 119.325 114.397 4.928 19939 889 1 3 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.541 0.410 19939 890 1 3 . 1 1 99 99 PHE C C 99 173.854 173.854 175.648 -1.794 19939 891 1 3 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.481 -0.777 19939 892 1 3 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.173 1.582 19939 893 1 3 . 1 1 99 99 PHE H H 99 8.245 8.245 7.731 0.514 19939 894 1 3 . 1 1 100 100 GLY N N 100 104.714 104.714 109.840 -5.126 19939 895 1 3 . 1 1 100 100 GLY C C 100 176.173 176.173 173.689 2.484 19939 896 1 3 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.096 -0.972 19939 897 1 3 . 1 1 100 100 GLY H H 100 8.111 8.111 8.754 -0.643 19939 898 1 3 . 1 1 101 101 LYS N N 101 122.597 122.597 120.457 2.140 19939 899 1 3 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.451 -0.339 19939 900 1 3 . 1 1 101 101 LYS C C 101 179.615 179.615 177.749 1.866 19939 901 1 3 . 1 1 101 101 LYS CA C 101 59.670 59.670 59.063 0.607 19939 902 1 3 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.442 0.332 19939 903 1 3 . 1 1 101 101 LYS H H 101 9.134 9.134 8.533 0.601 19939 904 1 3 . 1 1 102 102 THR N N 102 108.650 108.650 112.865 -4.215 19939 905 1 3 . 1 1 102 102 THR HA H 102 4.339 4.339 4.400 -0.061 19939 906 1 3 . 1 1 102 102 THR C C 102 172.966 172.966 174.150 -1.184 19939 907 1 3 . 1 1 102 102 THR CA C 102 61.304 61.304 61.292 0.012 19939 908 1 3 . 1 1 102 102 THR CB C 102 68.948 68.948 69.188 -0.240 19939 909 1 3 . 1 1 102 102 THR H H 102 8.982 8.982 7.836 1.146 19939 910 1 3 . 1 1 103 103 ALA N N 103 123.171 123.171 124.097 -0.926 19939 911 1 3 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.999 -0.632 19939 912 1 3 . 1 1 103 103 ALA C C 103 178.082 178.082 178.606 -0.524 19939 913 1 3 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.811 0.304 19939 914 1 3 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.731 -0.790 19939 915 1 3 . 1 1 103 103 ALA H H 103 6.932 6.932 7.797 -0.865 19939 916 1 3 . 1 1 104 104 GLY N N 104 111.443 111.443 110.462 0.981 19939 917 1 3 . 1 1 104 104 GLY C C 104 175.274 175.274 174.628 0.646 19939 918 1 3 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.960 -0.476 19939 919 1 3 . 1 1 104 104 GLY H H 104 8.545 8.545 8.659 -0.114 19939 920 1 3 . 1 1 105 105 ARG N N 105 119.647 119.647 121.992 -2.345 19939 921 1 3 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.353 0.064 19939 922 1 3 . 1 1 105 105 ARG C C 105 174.184 174.184 174.981 -0.797 19939 923 1 3 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.413 0.331 19939 924 1 3 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.138 -0.397 19939 925 1 3 . 1 1 105 105 ARG H H 105 7.646 7.646 7.918 -0.272 19939 926 1 3 . 1 1 106 106 PHE N N 106 117.619 117.619 119.334 -1.715 19939 927 1 3 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.618 0.805 19939 928 1 3 . 1 1 106 106 PHE C C 106 175.443 175.443 175.523 -0.080 19939 929 1 3 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.498 -0.311 19939 930 1 3 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.969 0.559 19939 931 1 3 . 1 1 106 106 PHE H H 106 8.745 8.745 8.309 0.436 19939 932 1 3 . 1 1 107 107 ASP N N 107 119.340 119.340 124.033 -4.693 19939 933 1 3 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.181 -0.003 19939 934 1 3 . 1 1 107 107 ASP C C 107 173.615 173.615 174.651 -1.036 19939 935 1 3 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.683 0.020 19939 936 1 3 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.491 1.799 19939 937 1 3 . 1 1 107 107 ASP H H 107 8.858 8.858 8.470 0.388 19939 938 1 3 . 1 1 108 108 VAL N N 108 121.639 121.639 118.276 3.363 19939 939 1 3 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.379 -0.466 19939 940 1 3 . 1 1 108 108 VAL C C 108 174.762 174.762 173.945 0.817 19939 941 1 3 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.912 0.920 19939 942 1 3 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.689 -1.750 19939 943 1 3 . 1 1 108 108 VAL H H 108 8.550 8.550 8.498 0.052 19939 944 1 3 . 1 1 109 109 TYR N N 109 121.685 121.685 117.805 3.880 19939 945 1 3 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.874 0.545 19939 946 1 3 . 1 1 109 109 TYR C C 109 173.430 173.430 173.352 0.078 19939 947 1 3 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.238 -0.778 19939 948 1 3 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.012 2.029 19939 949 1 3 . 1 1 109 109 TYR H H 109 8.894 8.894 8.079 0.815 19939 950 1 3 . 1 1 110 110 PHE N N 110 117.355 117.355 117.105 0.250 19939 951 1 3 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.704 0.141 19939 952 1 3 . 1 1 110 110 PHE C C 110 175.425 175.425 175.147 0.278 19939 953 1 3 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.859 1.838 19939 954 1 3 . 1 1 110 110 PHE CB C 110 44.118 44.118 40.812 3.306 19939 955 1 3 . 1 1 110 110 PHE H H 110 8.898 8.898 6.977 1.921 19939 956 1 3 . 1 1 111 111 ILE N N 111 121.807 121.807 122.160 -0.353 19939 957 1 3 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.778 0.452 19939 958 1 3 . 1 1 111 111 ILE C C 111 176.355 176.355 175.687 0.668 19939 959 1 3 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.265 -0.286 19939 960 1 3 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.233 -0.332 19939 961 1 3 . 1 1 111 111 ILE H H 111 9.660 9.660 9.098 0.562 19939 962 1 3 . 1 1 112 112 SER N N 112 126.063 126.063 122.277 3.786 19939 963 1 3 . 1 1 112 112 SER HA H 112 3.051 3.051 4.023 -0.972 19939 964 1 3 . 1 1 112 112 SER CA C 112 56.697 56.697 55.531 1.167 19939 965 1 3 . 1 1 112 112 SER CB C 112 63.153 63.153 63.927 -0.774 19939 966 1 3 . 1 1 112 112 SER H H 112 9.416 9.416 8.355 1.061 19939 967 1 3 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.284 -0.025 19939 968 1 3 . 1 1 113 113 PRO C C 113 177.214 177.214 177.658 -0.444 19939 969 1 3 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.725 0.189 19939 970 1 3 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.630 -0.202 19939 971 1 3 . 1 1 114 114 GLN N N 114 112.298 112.298 117.453 -5.155 19939 972 1 3 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.257 0.126 19939 973 1 3 . 1 1 114 114 GLN C C 114 175.990 175.990 176.837 -0.847 19939 974 1 3 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.510 0.305 19939 975 1 3 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.629 0.020 19939 976 1 3 . 1 1 114 114 GLN H H 114 7.175 7.175 8.061 -0.886 19939 977 1 3 . 1 1 115 115 GLY N N 115 108.911 108.911 106.239 2.672 19939 978 1 3 . 1 1 115 115 GLY C C 115 174.162 174.162 174.030 0.132 19939 979 1 3 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.296 0.023 19939 980 1 3 . 1 1 115 115 GLY H H 115 8.150 8.150 7.774 0.376 19939 981 1 3 . 1 1 116 116 LEU N N 116 121.038 121.038 121.982 -0.944 19939 982 1 3 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.158 0.024 19939 983 1 3 . 1 1 116 116 LEU C C 116 175.187 175.187 175.570 -0.383 19939 984 1 3 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.349 0.423 19939 985 1 3 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.951 -0.408 19939 986 1 3 . 1 1 116 116 LEU H H 116 7.166 7.166 7.684 -0.518 19939 987 1 3 . 1 1 117 117 LYS N N 117 121.584 121.584 120.326 1.258 19939 988 1 3 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.502 0.767 19939 989 1 3 . 1 1 117 117 LYS C C 117 175.984 175.984 175.251 0.733 19939 990 1 3 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.254 0.179 19939 991 1 3 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.299 0.264 19939 992 1 3 . 1 1 117 117 LYS H H 117 8.238 8.238 7.733 0.505 19939 993 1 3 . 1 1 118 118 PHE N N 118 121.828 121.828 120.023 1.805 19939 994 1 3 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.559 0.353 19939 995 1 3 . 1 1 118 118 PHE C C 118 176.449 176.449 173.387 3.062 19939 996 1 3 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.614 0.392 19939 997 1 3 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.526 0.442 19939 998 1 3 . 1 1 118 118 PHE H H 118 9.639 9.639 7.965 1.674 19939 999 1 3 . 1 1 119 119 ARG N N 119 119.546 119.546 120.603 -1.057 19939 1000 1 3 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.281 0.830 19939 1001 1 3 . 1 1 119 119 ARG C C 119 174.704 174.704 174.922 -0.218 19939 1002 1 3 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.611 -0.440 19939 1003 1 3 . 1 1 119 119 ARG CB C 119 31.820 31.820 32.990 -1.170 19939 1004 1 3 . 1 1 119 119 ARG H H 119 9.589 9.589 8.737 0.852 19939 1005 1 3 . 1 1 120 120 SER N N 120 110.737 110.737 115.328 -4.591 19939 1006 1 3 . 1 1 120 120 SER HA H 120 4.341 4.341 4.932 -0.591 19939 1007 1 3 . 1 1 120 120 SER C C 120 172.793 172.793 174.812 -2.019 19939 1008 1 3 . 1 1 120 120 SER CA C 120 56.032 56.032 57.278 -1.246 19939 1009 1 3 . 1 1 120 120 SER CB C 120 66.492 66.492 66.393 0.099 19939 1010 1 3 . 1 1 120 120 SER H H 120 7.625 7.625 7.657 -0.032 19939 1011 1 3 . 1 1 121 121 LYS N N 121 125.451 125.451 122.667 2.784 19939 1012 1 3 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.292 -0.658 19939 1013 1 3 . 1 1 121 121 LYS C C 121 178.826 178.826 178.574 0.252 19939 1014 1 3 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.580 0.055 19939 1015 1 3 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.057 -0.903 19939 1016 1 3 . 1 1 121 121 LYS H H 121 8.816 8.816 8.985 -0.169 19939 1017 1 3 . 1 1 122 122 SER N N 122 115.374 115.374 115.642 -0.268 19939 1018 1 3 . 1 1 122 122 SER HA H 122 4.136 4.136 4.303 -0.167 19939 1019 1 3 . 1 1 122 122 SER C C 122 177.427 177.427 176.319 1.108 19939 1020 1 3 . 1 1 122 122 SER CA C 122 61.492 61.492 61.268 0.224 19939 1021 1 3 . 1 1 122 122 SER CB C 122 62.342 62.342 62.762 -0.420 19939 1022 1 3 . 1 1 122 122 SER H H 122 8.834 8.834 8.349 0.485 19939 1023 1 3 . 1 1 123 123 SER N N 123 118.263 118.263 118.468 -0.205 19939 1024 1 3 . 1 1 123 123 SER HA H 123 4.418 4.418 4.247 0.171 19939 1025 1 3 . 1 1 123 123 SER C C 123 178.017 178.017 176.639 1.378 19939 1026 1 3 . 1 1 123 123 SER CA C 123 61.540 61.540 61.439 0.101 19939 1027 1 3 . 1 1 123 123 SER CB C 123 62.967 62.967 62.893 0.074 19939 1028 1 3 . 1 1 123 123 SER H H 123 8.043 8.043 7.870 0.173 19939 1029 1 3 . 1 1 124 124 LEU N N 124 126.780 126.780 122.678 4.102 19939 1030 1 3 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.573 0.075 19939 1031 1 3 . 1 1 124 124 LEU C C 124 177.987 177.987 177.910 0.077 19939 1032 1 3 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.312 0.951 19939 1033 1 3 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.206 1.095 19939 1034 1 3 . 1 1 124 124 LEU H H 124 7.686 7.686 7.613 0.073 19939 1035 1 3 . 1 1 125 125 ALA N N 125 121.665 121.665 120.578 1.087 19939 1036 1 3 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.974 -0.284 19939 1037 1 3 . 1 1 125 125 ALA C C 125 180.032 180.032 179.657 0.375 19939 1038 1 3 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.105 0.582 19939 1039 1 3 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.354 -0.474 19939 1040 1 3 . 1 1 125 125 ALA H H 125 8.912 8.912 8.088 0.824 19939 1041 1 3 . 1 1 126 126 ASN N N 126 115.720 115.720 118.008 -2.288 19939 1042 1 3 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.637 -0.144 19939 1043 1 3 . 1 1 126 126 ASN C C 126 177.174 177.174 177.336 -0.162 19939 1044 1 3 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.558 0.813 19939 1045 1 3 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.427 0.096 19939 1046 1 3 . 1 1 126 126 ASN H H 126 7.963 7.963 8.099 -0.136 19939 1047 1 3 . 1 1 127 127 TYR N N 127 121.605 121.605 122.917 -1.312 19939 1048 1 3 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.269 0.020 19939 1049 1 3 . 1 1 127 127 TYR C C 127 177.895 177.895 177.293 0.602 19939 1050 1 3 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.701 -0.125 19939 1051 1 3 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.388 0.663 19939 1052 1 3 . 1 1 127 127 TYR H H 127 7.746 7.746 8.424 -0.678 19939 1053 1 3 . 1 1 128 128 LEU N N 128 119.365 119.365 118.290 1.075 19939 1054 1 3 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.446 0.352 19939 1055 1 3 . 1 1 128 128 LEU C C 128 179.418 179.418 178.760 0.658 19939 1056 1 3 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.664 0.072 19939 1057 1 3 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.739 -0.846 19939 1058 1 3 . 1 1 128 128 LEU H H 128 8.600 8.600 8.258 0.342 19939 1059 1 3 . 1 1 129 129 HIS N N 129 115.982 115.982 116.977 -0.995 19939 1060 1 3 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.228 0.286 19939 1061 1 3 . 1 1 129 129 HIS C C 129 178.014 178.014 177.538 0.476 19939 1062 1 3 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.007 -0.929 19939 1063 1 3 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.820 -0.474 19939 1064 1 3 . 1 1 129 129 HIS H H 129 8.041 8.041 7.744 0.297 19939 1065 1 3 . 1 1 130 130 LYS N N 130 119.804 119.804 119.189 0.615 19939 1066 1 3 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.985 0.097 19939 1067 1 3 . 1 1 130 130 LYS C C 130 177.320 177.320 178.285 -0.965 19939 1068 1 3 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.769 -0.408 19939 1069 1 3 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.338 0.232 19939 1070 1 3 . 1 1 130 130 LYS H H 130 8.136 8.136 7.955 0.181 19939 1071 1 3 . 1 1 131 131 ASN N N 131 115.918 115.918 114.279 1.639 19939 1072 1 3 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.621 0.035 19939 1073 1 3 . 1 1 131 131 ASN C C 131 175.335 175.335 176.062 -0.727 19939 1074 1 3 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.300 0.290 19939 1075 1 3 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.816 0.464 19939 1076 1 3 . 1 1 131 131 ASN H H 131 7.663 7.663 7.663 0.000 19939 1077 1 3 . 1 1 132 132 GLY N N 132 108.472 108.472 107.487 0.985 19939 1078 1 3 . 1 1 132 132 GLY C C 132 174.647 174.647 173.748 0.899 19939 1079 1 3 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.060 1.269 19939 1080 1 3 . 1 1 132 132 GLY H H 132 7.854 7.854 7.430 0.424 19939 1081 1 3 . 1 1 133 133 GLU N N 133 120.028 120.028 121.909 -1.881 19939 1082 1 3 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.407 -0.047 19939 1083 1 3 . 1 1 133 133 GLU C C 133 177.324 177.324 175.007 2.317 19939 1084 1 3 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.194 1.518 19939 1085 1 3 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.679 -0.790 19939 1086 1 3 . 1 1 133 133 GLU H H 133 8.142 8.142 7.679 0.463 19939 1087 1 3 . 1 1 134 134 THR N N 134 114.986 114.986 116.184 -1.198 19939 1088 1 3 . 1 1 134 134 THR HA H 134 4.362 4.362 4.664 -0.302 19939 1089 1 3 . 1 1 134 134 THR C C 134 174.926 174.926 175.539 -0.613 19939 1090 1 3 . 1 1 134 134 THR CA C 134 62.028 62.028 61.075 0.953 19939 1091 1 3 . 1 1 134 134 THR CB C 134 69.927 69.927 69.735 0.192 19939 1092 1 3 . 1 1 134 134 THR H H 134 8.363 8.363 8.280 0.083 19939 1093 1 3 . 1 1 135 135 SER N N 135 118.353 118.353 118.023 0.330 19939 1094 1 3 . 1 1 135 135 SER HA H 135 4.530 4.530 4.210 0.320 19939 1095 1 3 . 1 1 135 135 SER C C 135 174.284 174.284 175.177 -0.893 19939 1096 1 3 . 1 1 135 135 SER CA C 135 59.506 59.506 59.840 -0.334 19939 1097 1 3 . 1 1 135 135 SER CB C 135 63.812 63.812 63.158 0.654 19939 1098 1 3 . 1 1 135 135 SER H H 135 8.580 8.580 8.158 0.422 19939 1099 1 3 . 1 1 136 136 LEU N N 136 122.995 122.995 123.990 -0.995 19939 1100 1 3 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.311 0.145 19939 1101 1 3 . 1 1 136 136 LEU C C 136 175.105 175.105 175.899 -0.794 19939 1102 1 3 . 1 1 136 136 LEU CA C 136 54.521 54.521 54.670 -0.149 19939 1103 1 3 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.617 1.859 19939 1104 1 3 . 1 1 136 136 LEU H H 136 8.048 8.048 7.727 0.321 19939 1105 1 3 . 1 1 137 137 LYS N N 137 121.086 121.086 121.826 -0.740 19939 1106 1 3 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.968 -0.902 19939 1107 1 3 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.546 -0.345 19939 1108 1 3 . 1 1 137 137 LYS H H 137 8.786 8.786 8.096 0.690 19939 1109 1 3 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.440 -0.484 19939 1110 1 3 . 1 1 138 138 PRO C C 138 177.652 177.652 178.054 -0.402 19939 1111 1 3 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.516 0.521 19939 1112 1 3 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.800 -0.331 19939 1113 1 3 . 1 1 139 139 GLU N N 139 113.380 113.380 114.348 -0.968 19939 1114 1 3 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.790 0.355 19939 1115 1 3 . 1 1 139 139 GLU C C 139 176.688 176.688 176.710 -0.022 19939 1116 1 3 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.540 1.231 19939 1117 1 3 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.470 0.064 19939 1118 1 3 . 1 1 139 139 GLU H H 139 8.889 8.889 8.188 0.701 19939 1119 1 3 . 1 1 140 140 ASP N N 140 119.519 119.519 118.232 1.287 19939 1120 1 3 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.400 -0.096 19939 1121 1 3 . 1 1 140 140 ASP C C 140 174.537 174.537 175.935 -1.398 19939 1122 1 3 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.389 0.519 19939 1123 1 3 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.548 -0.675 19939 1124 1 3 . 1 1 140 140 ASP H H 140 8.027 8.027 7.914 0.113 19939 1125 1 3 . 1 1 141 141 PHE N N 141 118.825 118.825 117.786 1.039 19939 1126 1 3 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.309 -0.442 19939 1127 1 3 . 1 1 141 141 PHE C C 141 173.522 173.522 173.966 -0.444 19939 1128 1 3 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.432 0.836 19939 1129 1 3 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.104 0.375 19939 1130 1 3 . 1 1 141 141 PHE H H 141 7.539 7.539 7.042 0.497 19939 1131 1 3 . 1 1 142 142 ASP N N 142 122.733 122.733 125.552 -2.819 19939 1132 1 3 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.602 0.280 19939 1133 1 3 . 1 1 142 142 ASP C C 142 176.424 176.424 175.647 0.777 19939 1134 1 3 . 1 1 142 142 ASP CA C 142 53.623 53.623 53.050 0.573 19939 1135 1 3 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.097 -1.414 19939 1136 1 3 . 1 1 142 142 ASP H H 142 8.546 8.546 8.435 0.111 19939 1137 1 3 . 1 1 143 143 PHE N N 143 127.545 127.545 121.561 5.984 19939 1138 1 3 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.739 -0.231 19939 1139 1 3 . 1 1 143 143 PHE C C 143 174.878 174.878 175.366 -0.488 19939 1140 1 3 . 1 1 143 143 PHE CA C 143 59.002 59.002 57.918 1.084 19939 1141 1 3 . 1 1 143 143 PHE CB C 143 39.504 39.504 38.847 0.657 19939 1142 1 3 . 1 1 143 143 PHE H H 143 9.406 9.406 8.452 0.954 19939 1143 1 3 . 1 1 144 144 THR N N 144 114.719 114.719 112.368 2.351 19939 1144 1 3 . 1 1 144 144 THR HA H 144 4.581 4.581 3.825 0.756 19939 1145 1 3 . 1 1 144 144 THR CA C 144 62.519 62.519 60.662 1.857 19939 1146 1 3 . 1 1 144 144 THR CB C 144 70.241 70.241 69.368 0.873 19939 1147 1 3 . 1 1 144 144 THR H H 144 8.360 8.360 6.932 1.428 19939 1148 1 3 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.118 -0.126 19939 1149 1 3 . 1 1 145 145 VAL C C 145 176.097 176.097 175.476 0.621 19939 1150 1 3 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.341 0.401 19939 1151 1 3 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.922 0.593 19939 1152 1 3 . 1 1 145 145 VAL H H 145 8.856 8.856 8.189 0.667 19939 1153 1 3 . 1 1 146 146 LEU N N 146 124.454 124.454 117.854 6.600 19939 1154 1 3 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.589 -0.223 19939 1155 1 3 . 1 1 146 146 LEU C C 146 176.924 176.924 176.794 0.130 19939 1156 1 3 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.341 0.622 19939 1157 1 3 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.187 0.251 19939 1158 1 3 . 1 1 146 146 LEU H H 146 8.082 8.082 7.581 0.501 19939 1159 1 3 . 1 1 147 147 SER N N 147 117.581 117.581 118.564 -0.983 19939 1160 1 3 . 1 1 147 147 SER HA H 147 4.589 4.589 3.986 0.603 19939 1161 1 3 . 1 1 147 147 SER C C 147 173.419 173.419 174.807 -1.388 19939 1162 1 3 . 1 1 147 147 SER CA C 147 58.281 58.281 60.350 -2.069 19939 1163 1 3 . 1 1 147 147 SER CB C 147 63.886 63.886 62.721 1.165 19939 1164 1 3 . 1 1 147 147 SER H H 147 8.216 8.216 8.810 -0.594 19939 1165 1 4 . 1 1 79 79 SER C C 79 174.960 174.960 174.997 -0.037 19939 1166 1 4 . 1 1 79 79 SER CA C 79 58.539 58.539 58.779 -0.240 19939 1167 1 4 . 1 1 79 79 SER CB C 79 64.005 64.005 63.556 0.449 19939 1168 1 4 . 1 1 80 80 THR N N 80 115.664 115.664 114.626 1.038 19939 1169 1 4 . 1 1 80 80 THR HA H 80 4.389 4.389 4.394 -0.005 19939 1170 1 4 . 1 1 80 80 THR C C 80 174.574 174.574 174.117 0.457 19939 1171 1 4 . 1 1 80 80 THR CA C 80 62.123 62.123 61.917 0.206 19939 1172 1 4 . 1 1 80 80 THR CB C 80 69.660 69.660 69.648 0.012 19939 1173 1 4 . 1 1 80 80 THR H H 80 8.340 8.340 7.537 0.803 19939 1174 1 4 . 1 1 81 81 GLU N N 81 123.120 123.120 119.251 3.869 19939 1175 1 4 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.092 0.223 19939 1176 1 4 . 1 1 81 81 GLU C C 81 176.123 176.123 175.673 0.450 19939 1177 1 4 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.949 -0.277 19939 1178 1 4 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.809 0.451 19939 1179 1 4 . 1 1 81 81 GLU H H 81 8.434 8.434 8.418 0.016 19939 1180 1 4 . 1 1 82 82 CYS N N 82 120.924 120.924 119.000 1.924 19939 1181 1 4 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.244 0.241 19939 1182 1 4 . 1 1 82 82 CYS C C 82 174.341 174.341 175.179 -0.838 19939 1183 1 4 . 1 1 82 82 CYS CA C 82 58.456 58.456 59.603 -1.147 19939 1184 1 4 . 1 1 82 82 CYS CB C 82 27.989 27.989 26.928 1.060 19939 1185 1 4 . 1 1 82 82 CYS H H 82 8.392 8.392 8.595 -0.203 19939 1186 1 4 . 1 1 83 83 ARG N N 83 124.156 124.156 124.249 -0.093 19939 1187 1 4 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.211 0.156 19939 1188 1 4 . 1 1 83 83 ARG C C 83 176.140 176.140 175.225 0.915 19939 1189 1 4 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.480 -1.212 19939 1190 1 4 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.835 0.027 19939 1191 1 4 . 1 1 83 83 ARG H H 83 8.478 8.478 8.443 0.035 19939 1192 1 4 . 1 1 84 84 LYS N N 84 122.766 122.766 118.993 3.773 19939 1193 1 4 . 1 1 84 84 LYS C C 84 176.555 176.555 175.656 0.899 19939 1194 1 4 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.184 -0.210 19939 1195 1 4 . 1 1 84 84 LYS CB C 84 33.334 33.334 33.199 0.135 19939 1196 1 4 . 1 1 84 84 LYS H H 84 8.413 8.413 7.862 0.551 19939 1197 1 4 . 1 1 85 85 SER N N 85 118.305 118.305 109.235 9.070 19939 1198 1 4 . 1 1 85 85 SER HA H 85 4.408 4.408 4.088 0.320 19939 1199 1 4 . 1 1 85 85 SER C C 85 173.669 173.669 172.624 1.045 19939 1200 1 4 . 1 1 85 85 SER CA C 85 58.288 58.288 59.766 -1.478 19939 1201 1 4 . 1 1 85 85 SER CB C 85 63.932 63.932 63.111 0.821 19939 1202 1 4 . 1 1 85 85 SER H H 85 8.440 8.440 8.575 -0.135 19939 1203 1 4 . 1 1 86 86 VAL N N 86 123.628 123.628 119.515 4.113 19939 1204 1 4 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.546 -0.261 19939 1205 1 4 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.755 0.414 19939 1206 1 4 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.817 0.563 19939 1207 1 4 . 1 1 86 86 VAL H H 86 8.279 8.279 7.723 0.556 19939 1208 1 4 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.606 -0.405 19939 1209 1 4 . 1 1 87 87 PRO C C 87 175.673 175.673 177.530 -1.857 19939 1210 1 4 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.275 1.347 19939 1211 1 4 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.615 -0.575 19939 1212 1 4 . 1 1 88 88 CYS N N 88 120.983 120.983 119.935 1.048 19939 1213 1 4 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.260 -0.016 19939 1214 1 4 . 1 1 88 88 CYS C C 88 176.345 176.345 176.659 -0.314 19939 1215 1 4 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.651 -0.489 19939 1216 1 4 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.847 -0.927 19939 1217 1 4 . 1 1 88 88 CYS H H 88 8.393 8.393 8.635 -0.242 19939 1218 1 4 . 1 1 89 89 GLY N N 89 115.997 115.997 112.859 3.138 19939 1219 1 4 . 1 1 89 89 GLY C C 89 174.168 174.168 173.211 0.957 19939 1220 1 4 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.886 0.564 19939 1221 1 4 . 1 1 89 89 GLY H H 89 9.011 9.011 8.822 0.189 19939 1222 1 4 . 1 1 90 90 TRP N N 90 121.603 121.603 120.459 1.144 19939 1223 1 4 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.443 -0.471 19939 1224 1 4 . 1 1 90 90 TRP C C 90 175.327 175.327 175.479 -0.152 19939 1225 1 4 . 1 1 90 90 TRP CA C 90 57.469 57.469 55.860 1.609 19939 1226 1 4 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.984 -2.479 19939 1227 1 4 . 1 1 90 90 TRP H H 90 8.406 8.406 7.401 1.005 19939 1228 1 4 . 1 1 91 91 GLU N N 91 119.691 119.691 119.948 -0.257 19939 1229 1 4 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.889 -0.038 19939 1230 1 4 . 1 1 91 91 GLU C C 91 174.309 174.309 175.780 -1.471 19939 1231 1 4 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.291 0.774 19939 1232 1 4 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.513 -0.100 19939 1233 1 4 . 1 1 91 91 GLU H H 91 8.963 8.963 8.545 0.418 19939 1234 1 4 . 1 1 92 92 ARG N N 92 126.749 126.749 121.606 5.143 19939 1235 1 4 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.869 -0.434 19939 1236 1 4 . 1 1 92 92 ARG C C 92 174.635 174.635 175.697 -1.062 19939 1237 1 4 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.076 -0.245 19939 1238 1 4 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.469 1.684 19939 1239 1 4 . 1 1 92 92 ARG H H 92 8.944 8.944 8.581 0.363 19939 1240 1 4 . 1 1 93 93 VAL N N 93 130.450 130.450 125.346 5.104 19939 1241 1 4 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.343 -0.214 19939 1242 1 4 . 1 1 93 93 VAL C C 93 173.391 173.391 173.975 -0.584 19939 1243 1 4 . 1 1 93 93 VAL CA C 93 61.554 61.554 61.231 0.323 19939 1244 1 4 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.748 -0.422 19939 1245 1 4 . 1 1 93 93 VAL H H 93 9.096 9.096 8.255 0.841 19939 1246 1 4 . 1 1 94 94 VAL N N 94 125.534 125.534 121.584 3.950 19939 1247 1 4 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.034 -0.379 19939 1248 1 4 . 1 1 94 94 VAL C C 94 175.830 175.830 174.807 1.023 19939 1249 1 4 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.864 1.431 19939 1250 1 4 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.529 -0.465 19939 1251 1 4 . 1 1 94 94 VAL H H 94 8.341 8.341 8.277 0.064 19939 1252 1 4 . 1 1 95 95 LYS N N 95 128.357 128.357 126.673 1.684 19939 1253 1 4 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.747 0.137 19939 1254 1 4 . 1 1 95 95 LYS C C 95 175.169 175.169 175.437 -0.268 19939 1255 1 4 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.124 -0.388 19939 1256 1 4 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.724 0.466 19939 1257 1 4 . 1 1 95 95 LYS H H 95 9.158 9.158 9.004 0.154 19939 1258 1 4 . 1 1 96 96 GLN N N 96 128.341 128.341 123.201 5.140 19939 1259 1 4 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.570 -0.100 19939 1260 1 4 . 1 1 96 96 GLN C C 96 175.665 175.665 175.995 -0.330 19939 1261 1 4 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.410 -0.603 19939 1262 1 4 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.724 0.395 19939 1263 1 4 . 1 1 96 96 GLN H H 96 8.943 8.943 8.527 0.416 19939 1264 1 4 . 1 1 97 97 ARG N N 97 127.147 127.147 125.041 2.106 19939 1265 1 4 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.249 0.190 19939 1266 1 4 . 1 1 97 97 ARG C C 97 178.214 178.214 174.584 3.630 19939 1267 1 4 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.019 1.700 19939 1268 1 4 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.352 -1.026 19939 1269 1 4 . 1 1 97 97 ARG H H 97 9.117 9.117 8.346 0.771 19939 1270 1 4 . 1 1 98 98 LEU N N 98 125.934 125.934 126.533 -0.599 19939 1271 1 4 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.396 -0.054 19939 1272 1 4 . 1 1 98 98 LEU C C 98 176.647 176.647 175.257 1.390 19939 1273 1 4 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.334 1.349 19939 1274 1 4 . 1 1 98 98 LEU CB C 98 44.063 44.063 40.836 3.228 19939 1275 1 4 . 1 1 98 98 LEU H H 98 9.054 9.054 8.227 0.827 19939 1276 1 4 . 1 1 99 99 PHE N N 99 119.325 119.325 123.064 -3.739 19939 1277 1 4 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.784 0.167 19939 1278 1 4 . 1 1 99 99 PHE C C 99 173.854 173.854 175.805 -1.951 19939 1279 1 4 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.891 -1.187 19939 1280 1 4 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.275 2.480 19939 1281 1 4 . 1 1 99 99 PHE H H 99 8.245 8.245 8.353 -0.108 19939 1282 1 4 . 1 1 100 100 GLY N N 100 104.714 104.714 107.622 -2.908 19939 1283 1 4 . 1 1 100 100 GLY C C 100 176.173 176.173 174.340 1.833 19939 1284 1 4 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.826 -1.702 19939 1285 1 4 . 1 1 100 100 GLY H H 100 8.111 8.111 8.417 -0.306 19939 1286 1 4 . 1 1 101 101 LYS N N 101 122.597 122.597 120.504 2.093 19939 1287 1 4 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.241 -0.129 19939 1288 1 4 . 1 1 101 101 LYS C C 101 179.615 179.615 177.147 2.468 19939 1289 1 4 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.255 1.415 19939 1290 1 4 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.515 0.259 19939 1291 1 4 . 1 1 101 101 LYS H H 101 9.134 9.134 8.358 0.776 19939 1292 1 4 . 1 1 102 102 THR N N 102 108.650 108.650 109.914 -1.264 19939 1293 1 4 . 1 1 102 102 THR HA H 102 4.339 4.339 4.372 -0.033 19939 1294 1 4 . 1 1 102 102 THR C C 102 172.966 172.966 174.030 -1.064 19939 1295 1 4 . 1 1 102 102 THR CA C 102 61.304 61.304 61.833 -0.529 19939 1296 1 4 . 1 1 102 102 THR CB C 102 68.948 68.948 69.169 -0.221 19939 1297 1 4 . 1 1 102 102 THR H H 102 8.982 8.982 7.755 1.227 19939 1298 1 4 . 1 1 103 103 ALA N N 103 123.171 123.171 124.116 -0.945 19939 1299 1 4 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.045 -0.678 19939 1300 1 4 . 1 1 103 103 ALA C C 103 178.082 178.082 178.874 -0.792 19939 1301 1 4 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.680 0.435 19939 1302 1 4 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.226 -0.285 19939 1303 1 4 . 1 1 103 103 ALA H H 103 6.932 6.932 7.762 -0.830 19939 1304 1 4 . 1 1 104 104 GLY N N 104 111.443 111.443 110.486 0.957 19939 1305 1 4 . 1 1 104 104 GLY C C 104 175.274 175.274 174.430 0.844 19939 1306 1 4 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.656 -0.172 19939 1307 1 4 . 1 1 104 104 GLY H H 104 8.545 8.545 8.379 0.166 19939 1308 1 4 . 1 1 105 105 ARG N N 105 119.647 119.647 120.722 -1.075 19939 1309 1 4 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.335 0.082 19939 1310 1 4 . 1 1 105 105 ARG C C 105 174.184 174.184 175.228 -1.044 19939 1311 1 4 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.712 1.032 19939 1312 1 4 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.320 -0.579 19939 1313 1 4 . 1 1 105 105 ARG H H 105 7.646 7.646 7.677 -0.031 19939 1314 1 4 . 1 1 106 106 PHE N N 106 117.619 117.619 119.583 -1.964 19939 1315 1 4 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.655 0.768 19939 1316 1 4 . 1 1 106 106 PHE C C 106 175.443 175.443 175.405 0.038 19939 1317 1 4 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.683 -0.495 19939 1318 1 4 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.908 1.620 19939 1319 1 4 . 1 1 106 106 PHE H H 106 8.745 8.745 8.472 0.273 19939 1320 1 4 . 1 1 107 107 ASP N N 107 119.340 119.340 125.679 -6.339 19939 1321 1 4 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.218 -0.040 19939 1322 1 4 . 1 1 107 107 ASP C C 107 173.615 173.615 174.486 -0.871 19939 1323 1 4 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.934 -0.231 19939 1324 1 4 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.842 1.448 19939 1325 1 4 . 1 1 107 107 ASP H H 107 8.858 8.858 8.429 0.429 19939 1326 1 4 . 1 1 108 108 VAL N N 108 121.639 121.639 118.803 2.836 19939 1327 1 4 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.234 -0.321 19939 1328 1 4 . 1 1 108 108 VAL C C 108 174.762 174.762 174.022 0.740 19939 1329 1 4 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.123 0.709 19939 1330 1 4 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.801 -1.862 19939 1331 1 4 . 1 1 108 108 VAL H H 108 8.550 8.550 8.484 0.066 19939 1332 1 4 . 1 1 109 109 TYR N N 109 121.685 121.685 118.038 3.647 19939 1333 1 4 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.130 0.289 19939 1334 1 4 . 1 1 109 109 TYR C C 109 173.430 173.430 173.594 -0.164 19939 1335 1 4 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.411 -0.951 19939 1336 1 4 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.027 2.014 19939 1337 1 4 . 1 1 109 109 TYR H H 109 8.894 8.894 8.001 0.893 19939 1338 1 4 . 1 1 110 110 PHE N N 110 117.355 117.355 116.022 1.333 19939 1339 1 4 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.837 0.008 19939 1340 1 4 . 1 1 110 110 PHE C C 110 175.425 175.425 174.688 0.737 19939 1341 1 4 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.667 2.030 19939 1342 1 4 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.707 2.411 19939 1343 1 4 . 1 1 110 110 PHE H H 110 8.898 8.898 7.506 1.392 19939 1344 1 4 . 1 1 111 111 ILE N N 111 121.807 121.807 121.317 0.490 19939 1345 1 4 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.986 0.244 19939 1346 1 4 . 1 1 111 111 ILE C C 111 176.355 176.355 176.063 0.292 19939 1347 1 4 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.031 -0.052 19939 1348 1 4 . 1 1 111 111 ILE CB C 111 39.901 39.901 41.296 -1.395 19939 1349 1 4 . 1 1 111 111 ILE H H 111 9.660 9.660 8.250 1.410 19939 1350 1 4 . 1 1 112 112 SER N N 112 126.063 126.063 122.213 3.850 19939 1351 1 4 . 1 1 112 112 SER HA H 112 3.051 3.051 4.149 -1.098 19939 1352 1 4 . 1 1 112 112 SER CA C 112 56.697 56.697 55.821 0.876 19939 1353 1 4 . 1 1 112 112 SER CB C 112 63.153 63.153 63.591 -0.438 19939 1354 1 4 . 1 1 112 112 SER H H 112 9.416 9.416 8.902 0.514 19939 1355 1 4 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.210 0.049 19939 1356 1 4 . 1 1 113 113 PRO C C 113 177.214 177.214 177.474 -0.260 19939 1357 1 4 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.787 0.128 19939 1358 1 4 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.514 -0.086 19939 1359 1 4 . 1 1 114 114 GLN N N 114 112.298 112.298 115.032 -2.734 19939 1360 1 4 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.259 0.124 19939 1361 1 4 . 1 1 114 114 GLN C C 114 175.990 175.990 177.221 -1.231 19939 1362 1 4 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.696 0.118 19939 1363 1 4 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.606 0.043 19939 1364 1 4 . 1 1 114 114 GLN H H 114 7.175 7.175 7.844 -0.669 19939 1365 1 4 . 1 1 115 115 GLY N N 115 108.911 108.911 106.753 2.158 19939 1366 1 4 . 1 1 115 115 GLY C C 115 174.162 174.162 173.980 0.182 19939 1367 1 4 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.210 0.109 19939 1368 1 4 . 1 1 115 115 GLY H H 115 8.150 8.150 8.105 0.045 19939 1369 1 4 . 1 1 116 116 LEU N N 116 121.038 121.038 121.905 -0.867 19939 1370 1 4 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.101 0.081 19939 1371 1 4 . 1 1 116 116 LEU C C 116 175.187 175.187 175.677 -0.490 19939 1372 1 4 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.497 0.275 19939 1373 1 4 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.150 0.393 19939 1374 1 4 . 1 1 116 116 LEU H H 116 7.166 7.166 7.524 -0.358 19939 1375 1 4 . 1 1 117 117 LYS N N 117 121.584 121.584 119.918 1.666 19939 1376 1 4 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.836 0.433 19939 1377 1 4 . 1 1 117 117 LYS C C 117 175.984 175.984 174.877 1.107 19939 1378 1 4 . 1 1 117 117 LYS CA C 117 55.433 55.433 54.535 0.898 19939 1379 1 4 . 1 1 117 117 LYS CB C 117 34.563 34.563 35.062 -0.499 19939 1380 1 4 . 1 1 117 117 LYS H H 117 8.238 8.238 7.612 0.626 19939 1381 1 4 . 1 1 118 118 PHE N N 118 121.828 121.828 119.767 2.061 19939 1382 1 4 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.534 0.378 19939 1383 1 4 . 1 1 118 118 PHE C C 118 176.449 176.449 174.277 2.172 19939 1384 1 4 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.042 0.964 19939 1385 1 4 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.590 0.378 19939 1386 1 4 . 1 1 118 118 PHE H H 118 9.639 9.639 7.748 1.891 19939 1387 1 4 . 1 1 119 119 ARG N N 119 119.546 119.546 120.187 -0.641 19939 1388 1 4 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.435 0.676 19939 1389 1 4 . 1 1 119 119 ARG C C 119 174.704 174.704 175.288 -0.584 19939 1390 1 4 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.794 -0.623 19939 1391 1 4 . 1 1 119 119 ARG CB C 119 31.820 31.820 30.907 0.913 19939 1392 1 4 . 1 1 119 119 ARG H H 119 9.589 9.589 8.499 1.090 19939 1393 1 4 . 1 1 120 120 SER N N 120 110.737 110.737 115.144 -4.407 19939 1394 1 4 . 1 1 120 120 SER HA H 120 4.341 4.341 4.717 -0.376 19939 1395 1 4 . 1 1 120 120 SER C C 120 172.793 172.793 174.991 -2.198 19939 1396 1 4 . 1 1 120 120 SER CA C 120 56.032 56.032 56.590 -0.558 19939 1397 1 4 . 1 1 120 120 SER CB C 120 66.492 66.492 64.762 1.730 19939 1398 1 4 . 1 1 120 120 SER H H 120 7.625 7.625 7.632 -0.007 19939 1399 1 4 . 1 1 121 121 LYS N N 121 125.451 125.451 126.602 -1.151 19939 1400 1 4 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.192 -0.558 19939 1401 1 4 . 1 1 121 121 LYS C C 121 178.826 178.826 178.281 0.545 19939 1402 1 4 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.394 0.241 19939 1403 1 4 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.199 -1.045 19939 1404 1 4 . 1 1 121 121 LYS H H 121 8.816 8.816 8.970 -0.154 19939 1405 1 4 . 1 1 122 122 SER N N 122 115.374 115.374 117.766 -2.392 19939 1406 1 4 . 1 1 122 122 SER HA H 122 4.136 4.136 4.235 -0.099 19939 1407 1 4 . 1 1 122 122 SER C C 122 177.427 177.427 176.734 0.693 19939 1408 1 4 . 1 1 122 122 SER CA C 122 61.492 61.492 61.536 -0.044 19939 1409 1 4 . 1 1 122 122 SER CB C 122 62.342 62.342 62.426 -0.084 19939 1410 1 4 . 1 1 122 122 SER H H 122 8.834 8.834 7.934 0.899 19939 1411 1 4 . 1 1 123 123 SER N N 123 118.263 118.263 117.946 0.317 19939 1412 1 4 . 1 1 123 123 SER HA H 123 4.418 4.418 4.197 0.221 19939 1413 1 4 . 1 1 123 123 SER C C 123 178.017 178.017 176.160 1.857 19939 1414 1 4 . 1 1 123 123 SER CA C 123 61.540 61.540 61.707 -0.167 19939 1415 1 4 . 1 1 123 123 SER CB C 123 62.967 62.967 62.871 0.096 19939 1416 1 4 . 1 1 123 123 SER H H 123 8.043 8.043 8.146 -0.103 19939 1417 1 4 . 1 1 124 124 LEU N N 124 126.780 126.780 122.041 4.739 19939 1418 1 4 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.503 0.145 19939 1419 1 4 . 1 1 124 124 LEU C C 124 177.987 177.987 177.729 0.258 19939 1420 1 4 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.516 0.748 19939 1421 1 4 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.426 0.875 19939 1422 1 4 . 1 1 124 124 LEU H H 124 7.686 7.686 7.429 0.257 19939 1423 1 4 . 1 1 125 125 ALA N N 125 121.665 121.665 119.913 1.752 19939 1424 1 4 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.980 -0.290 19939 1425 1 4 . 1 1 125 125 ALA C C 125 180.032 180.032 179.619 0.413 19939 1426 1 4 . 1 1 125 125 ALA CA C 125 55.687 55.687 54.978 0.709 19939 1427 1 4 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.246 -0.366 19939 1428 1 4 . 1 1 125 125 ALA H H 125 8.912 8.912 8.355 0.557 19939 1429 1 4 . 1 1 126 126 ASN N N 126 115.720 115.720 118.007 -2.287 19939 1430 1 4 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.581 -0.088 19939 1431 1 4 . 1 1 126 126 ASN C C 126 177.174 177.174 176.891 0.283 19939 1432 1 4 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.702 0.669 19939 1433 1 4 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.680 -0.157 19939 1434 1 4 . 1 1 126 126 ASN H H 126 7.963 7.963 7.815 0.148 19939 1435 1 4 . 1 1 127 127 TYR N N 127 121.605 121.605 121.972 -0.367 19939 1436 1 4 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.174 0.115 19939 1437 1 4 . 1 1 127 127 TYR C C 127 177.895 177.895 177.566 0.329 19939 1438 1 4 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.536 0.040 19939 1439 1 4 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.203 0.848 19939 1440 1 4 . 1 1 127 127 TYR H H 127 7.746 7.746 8.445 -0.699 19939 1441 1 4 . 1 1 128 128 LEU N N 128 119.365 119.365 117.814 1.551 19939 1442 1 4 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.502 0.296 19939 1443 1 4 . 1 1 128 128 LEU C C 128 179.418 179.418 178.966 0.452 19939 1444 1 4 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.621 0.115 19939 1445 1 4 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.550 -0.657 19939 1446 1 4 . 1 1 128 128 LEU H H 128 8.600 8.600 8.182 0.418 19939 1447 1 4 . 1 1 129 129 HIS N N 129 115.982 115.982 118.174 -2.192 19939 1448 1 4 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.165 0.349 19939 1449 1 4 . 1 1 129 129 HIS C C 129 178.014 178.014 177.454 0.560 19939 1450 1 4 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.534 -1.456 19939 1451 1 4 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.709 -0.363 19939 1452 1 4 . 1 1 129 129 HIS H H 129 8.041 8.041 7.775 0.266 19939 1453 1 4 . 1 1 130 130 LYS N N 130 119.804 119.804 118.761 1.043 19939 1454 1 4 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.989 0.093 19939 1455 1 4 . 1 1 130 130 LYS C C 130 177.320 177.320 178.338 -1.018 19939 1456 1 4 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.907 -0.546 19939 1457 1 4 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.364 0.206 19939 1458 1 4 . 1 1 130 130 LYS H H 130 8.136 8.136 8.039 0.097 19939 1459 1 4 . 1 1 131 131 ASN N N 131 115.918 115.918 114.999 0.919 19939 1460 1 4 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.559 0.097 19939 1461 1 4 . 1 1 131 131 ASN C C 131 175.335 175.335 176.486 -1.151 19939 1462 1 4 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.705 -0.115 19939 1463 1 4 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.529 0.751 19939 1464 1 4 . 1 1 131 131 ASN H H 131 7.663 7.663 7.609 0.054 19939 1465 1 4 . 1 1 132 132 GLY N N 132 108.472 108.472 107.377 1.095 19939 1466 1 4 . 1 1 132 132 GLY C C 132 174.647 174.647 174.100 0.547 19939 1467 1 4 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.227 1.102 19939 1468 1 4 . 1 1 132 132 GLY H H 132 7.854 7.854 7.633 0.221 19939 1469 1 4 . 1 1 133 133 GLU N N 133 120.028 120.028 121.730 -1.702 19939 1470 1 4 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.515 -0.155 19939 1471 1 4 . 1 1 133 133 GLU C C 133 177.324 177.324 176.037 1.287 19939 1472 1 4 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.816 0.896 19939 1473 1 4 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.711 0.178 19939 1474 1 4 . 1 1 133 133 GLU H H 133 8.142 8.142 7.677 0.465 19939 1475 1 4 . 1 1 134 134 THR N N 134 114.986 114.986 116.038 -1.052 19939 1476 1 4 . 1 1 134 134 THR HA H 134 4.362 4.362 4.522 -0.160 19939 1477 1 4 . 1 1 134 134 THR C C 134 174.926 174.926 174.850 0.076 19939 1478 1 4 . 1 1 134 134 THR CA C 134 62.028 62.028 61.937 0.091 19939 1479 1 4 . 1 1 134 134 THR CB C 134 69.927 69.927 69.120 0.807 19939 1480 1 4 . 1 1 134 134 THR H H 134 8.363 8.363 8.279 0.084 19939 1481 1 4 . 1 1 135 135 SER N N 135 118.353 118.353 116.483 1.870 19939 1482 1 4 . 1 1 135 135 SER HA H 135 4.530 4.530 4.396 0.134 19939 1483 1 4 . 1 1 135 135 SER C C 135 174.284 174.284 174.363 -0.079 19939 1484 1 4 . 1 1 135 135 SER CA C 135 59.506 59.506 60.093 -0.587 19939 1485 1 4 . 1 1 135 135 SER CB C 135 63.812 63.812 63.166 0.646 19939 1486 1 4 . 1 1 135 135 SER H H 135 8.580 8.580 8.270 0.310 19939 1487 1 4 . 1 1 136 136 LEU N N 136 122.995 122.995 122.377 0.618 19939 1488 1 4 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.430 0.026 19939 1489 1 4 . 1 1 136 136 LEU C C 136 175.105 175.105 175.216 -0.111 19939 1490 1 4 . 1 1 136 136 LEU CA C 136 54.521 54.521 54.792 -0.271 19939 1491 1 4 . 1 1 136 136 LEU CB C 136 44.476 44.476 43.696 0.780 19939 1492 1 4 . 1 1 136 136 LEU H H 136 8.048 8.048 7.734 0.314 19939 1493 1 4 . 1 1 137 137 LYS N N 137 121.086 121.086 124.772 -3.686 19939 1494 1 4 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.688 -0.622 19939 1495 1 4 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.245 -0.044 19939 1496 1 4 . 1 1 137 137 LYS H H 137 8.786 8.786 9.338 -0.552 19939 1497 1 4 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.432 -0.476 19939 1498 1 4 . 1 1 138 138 PRO C C 138 177.652 177.652 178.116 -0.464 19939 1499 1 4 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.584 0.453 19939 1500 1 4 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.990 -0.521 19939 1501 1 4 . 1 1 139 139 GLU N N 139 113.380 113.380 116.046 -2.666 19939 1502 1 4 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.911 0.234 19939 1503 1 4 . 1 1 139 139 GLU C C 139 176.688 176.688 176.883 -0.195 19939 1504 1 4 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.361 1.410 19939 1505 1 4 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.398 0.136 19939 1506 1 4 . 1 1 139 139 GLU H H 139 8.889 8.889 8.642 0.247 19939 1507 1 4 . 1 1 140 140 ASP N N 140 119.519 119.519 118.179 1.340 19939 1508 1 4 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.469 -0.165 19939 1509 1 4 . 1 1 140 140 ASP C C 140 174.537 174.537 176.096 -1.559 19939 1510 1 4 . 1 1 140 140 ASP CA C 140 55.908 55.908 56.250 -0.342 19939 1511 1 4 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.839 -0.966 19939 1512 1 4 . 1 1 140 140 ASP H H 140 8.027 8.027 7.986 0.041 19939 1513 1 4 . 1 1 141 141 PHE N N 141 118.825 118.825 118.003 0.822 19939 1514 1 4 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.385 -0.518 19939 1515 1 4 . 1 1 141 141 PHE C C 141 173.522 173.522 173.895 -0.373 19939 1516 1 4 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.108 1.160 19939 1517 1 4 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.332 0.147 19939 1518 1 4 . 1 1 141 141 PHE H H 141 7.539 7.539 7.188 0.351 19939 1519 1 4 . 1 1 142 142 ASP N N 142 122.733 122.733 125.290 -2.557 19939 1520 1 4 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.527 0.355 19939 1521 1 4 . 1 1 142 142 ASP C C 142 176.424 176.424 175.446 0.978 19939 1522 1 4 . 1 1 142 142 ASP CA C 142 53.623 53.623 53.047 0.576 19939 1523 1 4 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.183 -0.500 19939 1524 1 4 . 1 1 142 142 ASP H H 142 8.546 8.546 8.453 0.093 19939 1525 1 4 . 1 1 143 143 PHE N N 143 127.545 127.545 121.456 6.089 19939 1526 1 4 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.930 -0.422 19939 1527 1 4 . 1 1 143 143 PHE C C 143 174.878 174.878 175.539 -0.661 19939 1528 1 4 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.195 0.807 19939 1529 1 4 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.544 -0.040 19939 1530 1 4 . 1 1 143 143 PHE H H 143 9.406 9.406 8.226 1.180 19939 1531 1 4 . 1 1 144 144 THR N N 144 114.719 114.719 116.889 -2.170 19939 1532 1 4 . 1 1 144 144 THR HA H 144 4.581 4.581 3.804 0.777 19939 1533 1 4 . 1 1 144 144 THR CA C 144 62.519 62.519 61.728 0.791 19939 1534 1 4 . 1 1 144 144 THR CB C 144 70.241 70.241 69.342 0.899 19939 1535 1 4 . 1 1 144 144 THR H H 144 8.360 8.360 6.398 1.962 19939 1536 1 4 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.862 0.130 19939 1537 1 4 . 1 1 145 145 VAL C C 145 176.097 176.097 174.876 1.221 19939 1538 1 4 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.671 -0.929 19939 1539 1 4 . 1 1 145 145 VAL CB C 145 32.515 32.515 30.763 1.752 19939 1540 1 4 . 1 1 145 145 VAL H H 145 8.856 8.856 8.575 0.281 19939 1541 1 4 . 1 1 146 146 LEU N N 146 124.454 124.454 127.751 -3.297 19939 1542 1 4 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.394 -0.028 19939 1543 1 4 . 1 1 146 146 LEU C C 146 176.924 176.924 177.512 -0.588 19939 1544 1 4 . 1 1 146 146 LEU CA C 146 54.963 54.963 55.798 -0.835 19939 1545 1 4 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.798 -0.360 19939 1546 1 4 . 1 1 146 146 LEU H H 146 8.082 8.082 8.550 -0.468 19939 1547 1 4 . 1 1 147 147 SER N N 147 117.581 117.581 113.716 3.865 19939 1548 1 4 . 1 1 147 147 SER HA H 147 4.589 4.589 4.577 0.012 19939 1549 1 4 . 1 1 147 147 SER C C 147 173.419 173.419 173.611 -0.192 19939 1550 1 4 . 1 1 147 147 SER CA C 147 58.281 58.281 58.246 0.035 19939 1551 1 4 . 1 1 147 147 SER CB C 147 63.886 63.886 64.326 -0.440 19939 1552 1 4 . 1 1 147 147 SER H H 147 8.216 8.216 8.313 -0.097 19939 1553 1 5 . 1 1 79 79 SER C C 79 174.960 174.960 175.253 -0.293 19939 1554 1 5 . 1 1 79 79 SER CA C 79 58.539 58.539 58.999 -0.460 19939 1555 1 5 . 1 1 79 79 SER CB C 79 64.005 64.005 63.514 0.491 19939 1556 1 5 . 1 1 80 80 THR N N 80 115.664 115.664 115.560 0.104 19939 1557 1 5 . 1 1 80 80 THR HA H 80 4.389 4.389 4.550 -0.161 19939 1558 1 5 . 1 1 80 80 THR C C 80 174.574 174.574 174.112 0.462 19939 1559 1 5 . 1 1 80 80 THR CA C 80 62.123 62.123 61.556 0.567 19939 1560 1 5 . 1 1 80 80 THR CB C 80 69.660 69.660 69.120 0.540 19939 1561 1 5 . 1 1 80 80 THR H H 80 8.340 8.340 7.705 0.635 19939 1562 1 5 . 1 1 81 81 GLU N N 81 123.120 123.120 121.500 1.620 19939 1563 1 5 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.202 0.113 19939 1564 1 5 . 1 1 81 81 GLU C C 81 176.123 176.123 176.382 -0.259 19939 1565 1 5 . 1 1 81 81 GLU CA C 81 56.672 56.672 57.802 -1.130 19939 1566 1 5 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.702 0.558 19939 1567 1 5 . 1 1 81 81 GLU H H 81 8.434 8.434 8.466 -0.032 19939 1568 1 5 . 1 1 82 82 CYS N N 82 120.924 120.924 121.317 -0.393 19939 1569 1 5 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.564 -0.079 19939 1570 1 5 . 1 1 82 82 CYS C C 82 174.341 174.341 175.016 -0.675 19939 1571 1 5 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.537 -0.081 19939 1572 1 5 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.395 -0.406 19939 1573 1 5 . 1 1 82 82 CYS H H 82 8.392 8.392 8.485 -0.093 19939 1574 1 5 . 1 1 83 83 ARG N N 83 124.156 124.156 121.915 2.241 19939 1575 1 5 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.377 -0.010 19939 1576 1 5 . 1 1 83 83 ARG C C 83 176.140 176.140 176.156 -0.016 19939 1577 1 5 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.349 -1.081 19939 1578 1 5 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.467 0.395 19939 1579 1 5 . 1 1 83 83 ARG H H 83 8.478 8.478 8.130 0.348 19939 1580 1 5 . 1 1 84 84 LYS N N 84 122.766 122.766 116.069 6.697 19939 1581 1 5 . 1 1 84 84 LYS C C 84 176.555 176.555 174.893 1.662 19939 1582 1 5 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.508 -1.533 19939 1583 1 5 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.057 2.277 19939 1584 1 5 . 1 1 84 84 LYS H H 84 8.413 8.413 8.495 -0.082 19939 1585 1 5 . 1 1 85 85 SER N N 85 118.305 118.305 114.095 4.210 19939 1586 1 5 . 1 1 85 85 SER HA H 85 4.408 4.408 4.607 -0.199 19939 1587 1 5 . 1 1 85 85 SER C C 85 173.669 173.669 173.662 0.007 19939 1588 1 5 . 1 1 85 85 SER CA C 85 58.288 58.288 57.304 0.984 19939 1589 1 5 . 1 1 85 85 SER CB C 85 63.932 63.932 64.576 -0.644 19939 1590 1 5 . 1 1 85 85 SER H H 85 8.440 8.440 7.629 0.811 19939 1591 1 5 . 1 1 86 86 VAL N N 86 123.628 123.628 123.242 0.386 19939 1592 1 5 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.790 0.495 19939 1593 1 5 . 1 1 86 86 VAL CA C 86 60.169 60.169 61.880 -1.711 19939 1594 1 5 . 1 1 86 86 VAL CB C 86 33.380 33.380 30.635 2.745 19939 1595 1 5 . 1 1 86 86 VAL H H 86 8.279 8.279 8.564 -0.285 19939 1596 1 5 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.561 -0.360 19939 1597 1 5 . 1 1 87 87 PRO C C 87 175.673 175.673 177.152 -1.479 19939 1598 1 5 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.501 1.121 19939 1599 1 5 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.289 -0.249 19939 1600 1 5 . 1 1 88 88 CYS N N 88 120.983 120.983 119.479 1.504 19939 1601 1 5 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.185 0.059 19939 1602 1 5 . 1 1 88 88 CYS C C 88 176.345 176.345 176.106 0.239 19939 1603 1 5 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.191 0.971 19939 1604 1 5 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.699 -1.779 19939 1605 1 5 . 1 1 88 88 CYS H H 88 8.393 8.393 8.301 0.092 19939 1606 1 5 . 1 1 89 89 GLY N N 89 115.997 115.997 111.584 4.413 19939 1607 1 5 . 1 1 89 89 GLY C C 89 174.168 174.168 173.422 0.746 19939 1608 1 5 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.869 0.581 19939 1609 1 5 . 1 1 89 89 GLY H H 89 9.011 9.011 8.808 0.203 19939 1610 1 5 . 1 1 90 90 TRP N N 90 121.603 121.603 120.285 1.318 19939 1611 1 5 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.014 -0.042 19939 1612 1 5 . 1 1 90 90 TRP C C 90 175.327 175.327 175.300 0.027 19939 1613 1 5 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.335 1.134 19939 1614 1 5 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.568 -2.063 19939 1615 1 5 . 1 1 90 90 TRP H H 90 8.406 8.406 7.422 0.984 19939 1616 1 5 . 1 1 91 91 GLU N N 91 119.691 119.691 120.070 -0.379 19939 1617 1 5 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.890 -0.039 19939 1618 1 5 . 1 1 91 91 GLU C C 91 174.309 174.309 175.591 -1.282 19939 1619 1 5 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.371 0.694 19939 1620 1 5 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.703 -0.290 19939 1621 1 5 . 1 1 91 91 GLU H H 91 8.963 8.963 8.525 0.438 19939 1622 1 5 . 1 1 92 92 ARG N N 92 126.749 126.749 123.315 3.434 19939 1623 1 5 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.019 -0.584 19939 1624 1 5 . 1 1 92 92 ARG C C 92 174.635 174.635 175.285 -0.650 19939 1625 1 5 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.551 -0.720 19939 1626 1 5 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.135 1.018 19939 1627 1 5 . 1 1 92 92 ARG H H 92 8.944 8.944 8.644 0.300 19939 1628 1 5 . 1 1 93 93 VAL N N 93 130.450 130.450 127.495 2.955 19939 1629 1 5 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.376 -0.247 19939 1630 1 5 . 1 1 93 93 VAL C C 93 173.391 173.391 173.857 -0.466 19939 1631 1 5 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.984 0.570 19939 1632 1 5 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.738 -1.412 19939 1633 1 5 . 1 1 93 93 VAL H H 93 9.096 9.096 9.027 0.069 19939 1634 1 5 . 1 1 94 94 VAL N N 94 125.534 125.534 121.288 4.246 19939 1635 1 5 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.599 0.056 19939 1636 1 5 . 1 1 94 94 VAL C C 94 175.830 175.830 174.456 1.374 19939 1637 1 5 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.075 2.220 19939 1638 1 5 . 1 1 94 94 VAL CB C 94 33.064 33.064 32.840 0.224 19939 1639 1 5 . 1 1 94 94 VAL H H 94 8.341 8.341 8.226 0.115 19939 1640 1 5 . 1 1 95 95 LYS N N 95 128.357 128.357 127.338 1.019 19939 1641 1 5 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.744 0.140 19939 1642 1 5 . 1 1 95 95 LYS C C 95 175.169 175.169 175.178 -0.009 19939 1643 1 5 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.062 -0.326 19939 1644 1 5 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.807 0.383 19939 1645 1 5 . 1 1 95 95 LYS H H 95 9.158 9.158 9.020 0.138 19939 1646 1 5 . 1 1 96 96 GLN N N 96 128.341 128.341 125.177 3.164 19939 1647 1 5 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.557 -0.087 19939 1648 1 5 . 1 1 96 96 GLN C C 96 175.665 175.665 175.495 0.170 19939 1649 1 5 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.720 0.087 19939 1650 1 5 . 1 1 96 96 GLN CB C 96 30.119 30.119 31.265 -1.146 19939 1651 1 5 . 1 1 96 96 GLN H H 96 8.943 8.943 8.647 0.296 19939 1652 1 5 . 1 1 97 97 ARG N N 97 127.147 127.147 125.550 1.597 19939 1653 1 5 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.392 0.047 19939 1654 1 5 . 1 1 97 97 ARG C C 97 178.214 178.214 175.852 2.362 19939 1655 1 5 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.126 1.593 19939 1656 1 5 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.857 -0.532 19939 1657 1 5 . 1 1 97 97 ARG H H 97 9.117 9.117 8.568 0.549 19939 1658 1 5 . 1 1 98 98 LEU N N 98 125.934 125.934 123.553 2.381 19939 1659 1 5 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.222 0.120 19939 1660 1 5 . 1 1 98 98 LEU C C 98 176.647 176.647 175.333 1.314 19939 1661 1 5 . 1 1 98 98 LEU CA C 98 55.683 55.683 53.794 1.889 19939 1662 1 5 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.895 2.168 19939 1663 1 5 . 1 1 98 98 LEU H H 98 9.054 9.054 8.738 0.316 19939 1664 1 5 . 1 1 99 99 PHE N N 99 119.325 119.325 118.974 0.351 19939 1665 1 5 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.632 0.319 19939 1666 1 5 . 1 1 99 99 PHE C C 99 173.854 173.854 175.181 -1.327 19939 1667 1 5 . 1 1 99 99 PHE CA C 99 56.704 56.704 56.995 -0.291 19939 1668 1 5 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.113 1.642 19939 1669 1 5 . 1 1 99 99 PHE H H 99 8.245 8.245 7.590 0.655 19939 1670 1 5 . 1 1 100 100 GLY N N 100 104.714 104.714 109.723 -5.009 19939 1671 1 5 . 1 1 100 100 GLY C C 100 176.173 176.173 174.874 1.299 19939 1672 1 5 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.324 -0.200 19939 1673 1 5 . 1 1 100 100 GLY H H 100 8.111 8.111 7.988 0.123 19939 1674 1 5 . 1 1 101 101 LYS N N 101 122.597 122.597 119.590 3.007 19939 1675 1 5 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.132 -0.020 19939 1676 1 5 . 1 1 101 101 LYS C C 101 179.615 179.615 177.170 2.445 19939 1677 1 5 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.878 1.792 19939 1678 1 5 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.601 0.173 19939 1679 1 5 . 1 1 101 101 LYS H H 101 9.134 9.134 8.563 0.571 19939 1680 1 5 . 1 1 102 102 THR N N 102 108.650 108.650 110.149 -1.499 19939 1681 1 5 . 1 1 102 102 THR HA H 102 4.339 4.339 4.273 0.066 19939 1682 1 5 . 1 1 102 102 THR C C 102 172.966 172.966 174.390 -1.424 19939 1683 1 5 . 1 1 102 102 THR CA C 102 61.304 61.304 61.346 -0.042 19939 1684 1 5 . 1 1 102 102 THR CB C 102 68.948 68.948 68.146 0.802 19939 1685 1 5 . 1 1 102 102 THR H H 102 8.982 8.982 7.682 1.300 19939 1686 1 5 . 1 1 103 103 ALA N N 103 123.171 123.171 124.324 -1.153 19939 1687 1 5 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.015 -0.648 19939 1688 1 5 . 1 1 103 103 ALA C C 103 178.082 178.082 177.200 0.882 19939 1689 1 5 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.130 0.985 19939 1690 1 5 . 1 1 103 103 ALA CB C 103 17.941 17.941 19.177 -1.236 19939 1691 1 5 . 1 1 103 103 ALA H H 103 6.932 6.932 7.240 -0.308 19939 1692 1 5 . 1 1 104 104 GLY N N 104 111.443 111.443 110.412 1.031 19939 1693 1 5 . 1 1 104 104 GLY C C 104 175.274 175.274 174.417 0.857 19939 1694 1 5 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.600 -0.116 19939 1695 1 5 . 1 1 104 104 GLY H H 104 8.545 8.545 7.938 0.607 19939 1696 1 5 . 1 1 105 105 ARG N N 105 119.647 119.647 120.924 -1.277 19939 1697 1 5 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.100 0.317 19939 1698 1 5 . 1 1 105 105 ARG C C 105 174.184 174.184 174.897 -0.713 19939 1699 1 5 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.203 0.541 19939 1700 1 5 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.323 -0.582 19939 1701 1 5 . 1 1 105 105 ARG H H 105 7.646 7.646 7.617 0.029 19939 1702 1 5 . 1 1 106 106 PHE N N 106 117.619 117.619 117.909 -0.290 19939 1703 1 5 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.685 0.738 19939 1704 1 5 . 1 1 106 106 PHE C C 106 175.443 175.443 175.245 0.198 19939 1705 1 5 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.549 -0.361 19939 1706 1 5 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.490 2.038 19939 1707 1 5 . 1 1 106 106 PHE H H 106 8.745 8.745 8.275 0.470 19939 1708 1 5 . 1 1 107 107 ASP N N 107 119.340 119.340 126.472 -7.132 19939 1709 1 5 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.182 -0.004 19939 1710 1 5 . 1 1 107 107 ASP C C 107 173.615 173.615 174.525 -0.910 19939 1711 1 5 . 1 1 107 107 ASP CA C 107 53.703 53.703 54.042 -0.339 19939 1712 1 5 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.622 1.668 19939 1713 1 5 . 1 1 107 107 ASP H H 107 8.858 8.858 8.606 0.252 19939 1714 1 5 . 1 1 108 108 VAL N N 108 121.639 121.639 118.656 2.983 19939 1715 1 5 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.032 -0.119 19939 1716 1 5 . 1 1 108 108 VAL C C 108 174.762 174.762 174.108 0.654 19939 1717 1 5 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.023 0.809 19939 1718 1 5 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.371 -1.432 19939 1719 1 5 . 1 1 108 108 VAL H H 108 8.550 8.550 8.543 0.007 19939 1720 1 5 . 1 1 109 109 TYR N N 109 121.685 121.685 118.086 3.599 19939 1721 1 5 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.865 0.554 19939 1722 1 5 . 1 1 109 109 TYR C C 109 173.430 173.430 173.520 -0.090 19939 1723 1 5 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.168 -0.708 19939 1724 1 5 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.142 1.899 19939 1725 1 5 . 1 1 109 109 TYR H H 109 8.894 8.894 8.320 0.574 19939 1726 1 5 . 1 1 110 110 PHE N N 110 117.355 117.355 116.514 0.841 19939 1727 1 5 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.683 0.162 19939 1728 1 5 . 1 1 110 110 PHE C C 110 175.425 175.425 174.693 0.732 19939 1729 1 5 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.364 1.333 19939 1730 1 5 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.580 2.538 19939 1731 1 5 . 1 1 110 110 PHE H H 110 8.898 8.898 7.319 1.579 19939 1732 1 5 . 1 1 111 111 ILE N N 111 121.807 121.807 122.858 -1.051 19939 1733 1 5 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.143 0.087 19939 1734 1 5 . 1 1 111 111 ILE C C 111 176.355 176.355 176.557 -0.202 19939 1735 1 5 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.932 0.047 19939 1736 1 5 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.703 -0.802 19939 1737 1 5 . 1 1 111 111 ILE H H 111 9.660 9.660 8.463 1.197 19939 1738 1 5 . 1 1 112 112 SER N N 112 126.063 126.063 122.763 3.300 19939 1739 1 5 . 1 1 112 112 SER HA H 112 3.051 3.051 4.412 -1.361 19939 1740 1 5 . 1 1 112 112 SER CA C 112 56.697 56.697 56.724 -0.028 19939 1741 1 5 . 1 1 112 112 SER CB C 112 63.153 63.153 61.581 1.572 19939 1742 1 5 . 1 1 112 112 SER H H 112 9.416 9.416 8.149 1.267 19939 1743 1 5 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.228 0.031 19939 1744 1 5 . 1 1 113 113 PRO C C 113 177.214 177.214 177.831 -0.617 19939 1745 1 5 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.374 -0.460 19939 1746 1 5 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.618 -0.190 19939 1747 1 5 . 1 1 114 114 GLN N N 114 112.298 112.298 114.644 -2.346 19939 1748 1 5 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.233 0.150 19939 1749 1 5 . 1 1 114 114 GLN C C 114 175.990 175.990 177.134 -1.144 19939 1750 1 5 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.903 -0.089 19939 1751 1 5 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.609 0.040 19939 1752 1 5 . 1 1 114 114 GLN H H 114 7.175 7.175 8.469 -1.294 19939 1753 1 5 . 1 1 115 115 GLY N N 115 108.911 108.911 106.712 2.199 19939 1754 1 5 . 1 1 115 115 GLY C C 115 174.162 174.162 173.167 0.995 19939 1755 1 5 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.010 0.309 19939 1756 1 5 . 1 1 115 115 GLY H H 115 8.150 8.150 7.831 0.319 19939 1757 1 5 . 1 1 116 116 LEU N N 116 121.038 121.038 119.885 1.153 19939 1758 1 5 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.056 0.126 19939 1759 1 5 . 1 1 116 116 LEU C C 116 175.187 175.187 175.793 -0.606 19939 1760 1 5 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.142 0.630 19939 1761 1 5 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.113 0.430 19939 1762 1 5 . 1 1 116 116 LEU H H 116 7.166 7.166 7.767 -0.601 19939 1763 1 5 . 1 1 117 117 LYS N N 117 121.584 121.584 121.205 0.379 19939 1764 1 5 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.260 1.009 19939 1765 1 5 . 1 1 117 117 LYS C C 117 175.984 175.984 175.299 0.685 19939 1766 1 5 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.550 -0.117 19939 1767 1 5 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.618 0.945 19939 1768 1 5 . 1 1 117 117 LYS H H 117 8.238 8.238 7.904 0.334 19939 1769 1 5 . 1 1 118 118 PHE N N 118 121.828 121.828 121.234 0.594 19939 1770 1 5 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.595 0.317 19939 1771 1 5 . 1 1 118 118 PHE C C 118 176.449 176.449 174.629 1.820 19939 1772 1 5 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.208 0.798 19939 1773 1 5 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.493 0.475 19939 1774 1 5 . 1 1 118 118 PHE H H 118 9.639 9.639 7.845 1.794 19939 1775 1 5 . 1 1 119 119 ARG N N 119 119.546 119.546 120.475 -0.929 19939 1776 1 5 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.353 0.758 19939 1777 1 5 . 1 1 119 119 ARG C C 119 174.704 174.704 175.307 -0.603 19939 1778 1 5 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.798 -0.627 19939 1779 1 5 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.032 0.788 19939 1780 1 5 . 1 1 119 119 ARG H H 119 9.589 9.589 8.496 1.093 19939 1781 1 5 . 1 1 120 120 SER N N 120 110.737 110.737 115.130 -4.393 19939 1782 1 5 . 1 1 120 120 SER HA H 120 4.341 4.341 4.649 -0.308 19939 1783 1 5 . 1 1 120 120 SER C C 120 172.793 172.793 175.061 -2.268 19939 1784 1 5 . 1 1 120 120 SER CA C 120 56.032 56.032 56.488 -0.456 19939 1785 1 5 . 1 1 120 120 SER CB C 120 66.492 66.492 64.836 1.656 19939 1786 1 5 . 1 1 120 120 SER H H 120 7.625 7.625 7.686 -0.061 19939 1787 1 5 . 1 1 121 121 LYS N N 121 125.451 125.451 127.076 -1.625 19939 1788 1 5 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.073 -0.439 19939 1789 1 5 . 1 1 121 121 LYS C C 121 178.826 178.826 177.827 0.999 19939 1790 1 5 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.250 0.385 19939 1791 1 5 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.490 -1.336 19939 1792 1 5 . 1 1 121 121 LYS H H 121 8.816 8.816 8.998 -0.182 19939 1793 1 5 . 1 1 122 122 SER N N 122 115.374 115.374 113.666 1.708 19939 1794 1 5 . 1 1 122 122 SER HA H 122 4.136 4.136 4.208 -0.072 19939 1795 1 5 . 1 1 122 122 SER C C 122 177.427 177.427 176.339 1.088 19939 1796 1 5 . 1 1 122 122 SER CA C 122 61.492 61.492 61.880 -0.389 19939 1797 1 5 . 1 1 122 122 SER CB C 122 62.342 62.342 62.798 -0.456 19939 1798 1 5 . 1 1 122 122 SER H H 122 8.834 8.834 7.939 0.895 19939 1799 1 5 . 1 1 123 123 SER N N 123 118.263 118.263 118.146 0.117 19939 1800 1 5 . 1 1 123 123 SER HA H 123 4.418 4.418 4.194 0.224 19939 1801 1 5 . 1 1 123 123 SER C C 123 178.017 178.017 176.371 1.646 19939 1802 1 5 . 1 1 123 123 SER CA C 123 61.540 61.540 61.860 -0.320 19939 1803 1 5 . 1 1 123 123 SER CB C 123 62.967 62.967 62.782 0.185 19939 1804 1 5 . 1 1 123 123 SER H H 123 8.043 8.043 7.951 0.092 19939 1805 1 5 . 1 1 124 124 LEU N N 124 126.780 126.780 123.025 3.755 19939 1806 1 5 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.478 0.170 19939 1807 1 5 . 1 1 124 124 LEU C C 124 177.987 177.987 177.554 0.433 19939 1808 1 5 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.471 0.792 19939 1809 1 5 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.279 1.022 19939 1810 1 5 . 1 1 124 124 LEU H H 124 7.686 7.686 7.547 0.139 19939 1811 1 5 . 1 1 125 125 ALA N N 125 121.665 121.665 120.466 1.199 19939 1812 1 5 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.926 -0.236 19939 1813 1 5 . 1 1 125 125 ALA C C 125 180.032 180.032 179.564 0.468 19939 1814 1 5 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.186 0.501 19939 1815 1 5 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.316 -0.436 19939 1816 1 5 . 1 1 125 125 ALA H H 125 8.912 8.912 8.359 0.553 19939 1817 1 5 . 1 1 126 126 ASN N N 126 115.720 115.720 117.397 -1.677 19939 1818 1 5 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.581 -0.088 19939 1819 1 5 . 1 1 126 126 ASN C C 126 177.174 177.174 177.153 0.021 19939 1820 1 5 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.791 0.580 19939 1821 1 5 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.338 0.185 19939 1822 1 5 . 1 1 126 126 ASN H H 126 7.963 7.963 7.891 0.072 19939 1823 1 5 . 1 1 127 127 TYR N N 127 121.605 121.605 122.830 -1.225 19939 1824 1 5 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.168 0.121 19939 1825 1 5 . 1 1 127 127 TYR C C 127 177.895 177.895 177.602 0.293 19939 1826 1 5 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.835 -0.259 19939 1827 1 5 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.178 0.873 19939 1828 1 5 . 1 1 127 127 TYR H H 127 7.746 7.746 8.242 -0.496 19939 1829 1 5 . 1 1 128 128 LEU N N 128 119.365 119.365 118.316 1.049 19939 1830 1 5 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.458 0.340 19939 1831 1 5 . 1 1 128 128 LEU C C 128 179.418 179.418 178.584 0.834 19939 1832 1 5 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.906 -0.170 19939 1833 1 5 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.479 -0.586 19939 1834 1 5 . 1 1 128 128 LEU H H 128 8.600 8.600 8.063 0.537 19939 1835 1 5 . 1 1 129 129 HIS N N 129 115.982 115.982 117.546 -1.564 19939 1836 1 5 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.144 0.370 19939 1837 1 5 . 1 1 129 129 HIS C C 129 178.014 178.014 177.329 0.685 19939 1838 1 5 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.382 -1.304 19939 1839 1 5 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.802 -0.456 19939 1840 1 5 . 1 1 129 129 HIS H H 129 8.041 8.041 7.626 0.415 19939 1841 1 5 . 1 1 130 130 LYS N N 130 119.804 119.804 118.549 1.255 19939 1842 1 5 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.926 0.156 19939 1843 1 5 . 1 1 130 130 LYS C C 130 177.320 177.320 178.615 -1.295 19939 1844 1 5 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.566 -0.205 19939 1845 1 5 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.452 0.118 19939 1846 1 5 . 1 1 130 130 LYS H H 130 8.136 8.136 8.156 -0.020 19939 1847 1 5 . 1 1 131 131 ASN N N 131 115.918 115.918 115.365 0.553 19939 1848 1 5 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.529 0.127 19939 1849 1 5 . 1 1 131 131 ASN C C 131 175.335 175.335 175.684 -0.349 19939 1850 1 5 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.135 0.455 19939 1851 1 5 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.546 0.734 19939 1852 1 5 . 1 1 131 131 ASN H H 131 7.663 7.663 7.880 -0.217 19939 1853 1 5 . 1 1 132 132 GLY N N 132 108.472 108.472 106.757 1.715 19939 1854 1 5 . 1 1 132 132 GLY C C 132 174.647 174.647 174.104 0.543 19939 1855 1 5 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.254 1.075 19939 1856 1 5 . 1 1 132 132 GLY H H 132 7.854 7.854 7.416 0.438 19939 1857 1 5 . 1 1 133 133 GLU N N 133 120.028 120.028 121.638 -1.610 19939 1858 1 5 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.451 -0.091 19939 1859 1 5 . 1 1 133 133 GLU C C 133 177.324 177.324 175.736 1.588 19939 1860 1 5 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.685 1.027 19939 1861 1 5 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.163 -0.274 19939 1862 1 5 . 1 1 133 133 GLU H H 133 8.142 8.142 7.545 0.597 19939 1863 1 5 . 1 1 134 134 THR N N 134 114.986 114.986 115.207 -0.221 19939 1864 1 5 . 1 1 134 134 THR HA H 134 4.362 4.362 4.549 -0.187 19939 1865 1 5 . 1 1 134 134 THR C C 134 174.926 174.926 175.707 -0.781 19939 1866 1 5 . 1 1 134 134 THR CA C 134 62.028 62.028 62.023 0.006 19939 1867 1 5 . 1 1 134 134 THR CB C 134 69.927 69.927 69.922 0.005 19939 1868 1 5 . 1 1 134 134 THR H H 134 8.363 8.363 8.333 0.030 19939 1869 1 5 . 1 1 135 135 SER N N 135 118.353 118.353 118.303 0.050 19939 1870 1 5 . 1 1 135 135 SER HA H 135 4.530 4.530 4.264 0.266 19939 1871 1 5 . 1 1 135 135 SER C C 135 174.284 174.284 175.370 -1.086 19939 1872 1 5 . 1 1 135 135 SER CA C 135 59.506 59.506 59.923 -0.417 19939 1873 1 5 . 1 1 135 135 SER CB C 135 63.812 63.812 63.175 0.637 19939 1874 1 5 . 1 1 135 135 SER H H 135 8.580 8.580 8.171 0.409 19939 1875 1 5 . 1 1 136 136 LEU N N 136 122.995 122.995 123.887 -0.892 19939 1876 1 5 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.337 0.119 19939 1877 1 5 . 1 1 136 136 LEU C C 136 175.105 175.105 176.148 -1.043 19939 1878 1 5 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.025 -0.504 19939 1879 1 5 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.433 2.043 19939 1880 1 5 . 1 1 136 136 LEU H H 136 8.048 8.048 7.671 0.377 19939 1881 1 5 . 1 1 137 137 LYS N N 137 121.086 121.086 124.141 -3.055 19939 1882 1 5 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.914 -0.848 19939 1883 1 5 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.318 -0.117 19939 1884 1 5 . 1 1 137 137 LYS H H 137 8.786 8.786 8.251 0.535 19939 1885 1 5 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.471 -0.515 19939 1886 1 5 . 1 1 138 138 PRO C C 138 177.652 177.652 177.837 -0.185 19939 1887 1 5 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.269 0.768 19939 1888 1 5 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.842 -0.373 19939 1889 1 5 . 1 1 139 139 GLU N N 139 113.380 113.380 115.046 -1.666 19939 1890 1 5 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.855 0.290 19939 1891 1 5 . 1 1 139 139 GLU C C 139 176.688 176.688 176.755 -0.067 19939 1892 1 5 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.918 0.853 19939 1893 1 5 . 1 1 139 139 GLU CB C 139 28.534 28.534 27.542 0.992 19939 1894 1 5 . 1 1 139 139 GLU H H 139 8.889 8.889 8.409 0.480 19939 1895 1 5 . 1 1 140 140 ASP N N 140 119.519 119.519 119.052 0.467 19939 1896 1 5 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.400 -0.096 19939 1897 1 5 . 1 1 140 140 ASP C C 140 174.537 174.537 176.051 -1.514 19939 1898 1 5 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.603 0.305 19939 1899 1 5 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.766 -0.893 19939 1900 1 5 . 1 1 140 140 ASP H H 140 8.027 8.027 7.893 0.134 19939 1901 1 5 . 1 1 141 141 PHE N N 141 118.825 118.825 117.286 1.539 19939 1902 1 5 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.492 -0.625 19939 1903 1 5 . 1 1 141 141 PHE C C 141 173.522 173.522 174.114 -0.592 19939 1904 1 5 . 1 1 141 141 PHE CA C 141 57.268 57.268 55.806 1.462 19939 1905 1 5 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.673 -0.194 19939 1906 1 5 . 1 1 141 141 PHE H H 141 7.539 7.539 7.309 0.230 19939 1907 1 5 . 1 1 142 142 ASP N N 142 122.733 122.733 126.306 -3.573 19939 1908 1 5 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.561 0.321 19939 1909 1 5 . 1 1 142 142 ASP C C 142 176.424 176.424 175.619 0.805 19939 1910 1 5 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.135 1.488 19939 1911 1 5 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.349 -0.666 19939 1912 1 5 . 1 1 142 142 ASP H H 142 8.546 8.546 8.556 -0.010 19939 1913 1 5 . 1 1 143 143 PHE N N 143 127.545 127.545 123.031 4.514 19939 1914 1 5 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.916 -0.408 19939 1915 1 5 . 1 1 143 143 PHE C C 143 174.878 174.878 174.755 0.123 19939 1916 1 5 . 1 1 143 143 PHE CA C 143 59.002 59.002 57.626 1.376 19939 1917 1 5 . 1 1 143 143 PHE CB C 143 39.504 39.504 38.342 1.162 19939 1918 1 5 . 1 1 143 143 PHE H H 143 9.406 9.406 8.917 0.489 19939 1919 1 5 . 1 1 144 144 THR N N 144 114.719 114.719 116.869 -2.150 19939 1920 1 5 . 1 1 144 144 THR HA H 144 4.581 4.581 4.348 0.233 19939 1921 1 5 . 1 1 144 144 THR CA C 144 62.519 62.519 60.715 1.804 19939 1922 1 5 . 1 1 144 144 THR CB C 144 70.241 70.241 70.260 -0.019 19939 1923 1 5 . 1 1 144 144 THR H H 144 8.360 8.360 7.951 0.409 19939 1924 1 5 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.062 -0.070 19939 1925 1 5 . 1 1 145 145 VAL C C 145 176.097 176.097 175.479 0.618 19939 1926 1 5 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.611 0.131 19939 1927 1 5 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.326 0.189 19939 1928 1 5 . 1 1 145 145 VAL H H 145 8.856 8.856 8.379 0.477 19939 1929 1 5 . 1 1 146 146 LEU N N 146 124.454 124.454 125.711 -1.257 19939 1930 1 5 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.143 0.223 19939 1931 1 5 . 1 1 146 146 LEU C C 146 176.924 176.924 176.547 0.377 19939 1932 1 5 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.012 -1.049 19939 1933 1 5 . 1 1 146 146 LEU CB C 146 42.438 42.438 40.708 1.730 19939 1934 1 5 . 1 1 146 146 LEU H H 146 8.082 8.082 8.511 -0.429 19939 1935 1 5 . 1 1 147 147 SER N N 147 117.581 117.581 118.471 -0.890 19939 1936 1 5 . 1 1 147 147 SER HA H 147 4.589 4.589 4.389 0.200 19939 1937 1 5 . 1 1 147 147 SER C C 147 173.419 173.419 173.118 0.301 19939 1938 1 5 . 1 1 147 147 SER CA C 147 58.281 58.281 58.035 0.246 19939 1939 1 5 . 1 1 147 147 SER CB C 147 63.886 63.886 63.373 0.513 19939 1940 1 5 . 1 1 147 147 SER H H 147 8.216 8.216 8.401 -0.185 19939 1941 1 6 . 1 1 79 79 SER C C 79 174.960 174.960 175.347 -0.387 19939 1942 1 6 . 1 1 79 79 SER CA C 79 58.539 58.539 58.265 0.274 19939 1943 1 6 . 1 1 79 79 SER CB C 79 64.005 64.005 63.749 0.256 19939 1944 1 6 . 1 1 80 80 THR N N 80 115.664 115.664 115.676 -0.012 19939 1945 1 6 . 1 1 80 80 THR HA H 80 4.389 4.389 4.008 0.381 19939 1946 1 6 . 1 1 80 80 THR C C 80 174.574 174.574 174.695 -0.121 19939 1947 1 6 . 1 1 80 80 THR CA C 80 62.123 62.123 62.944 -0.821 19939 1948 1 6 . 1 1 80 80 THR CB C 80 69.660 69.660 68.528 1.132 19939 1949 1 6 . 1 1 80 80 THR H H 80 8.340 8.340 8.498 -0.158 19939 1950 1 6 . 1 1 81 81 GLU N N 81 123.120 123.120 122.364 0.756 19939 1951 1 6 . 1 1 81 81 GLU HA H 81 4.315 4.315 3.796 0.519 19939 1952 1 6 . 1 1 81 81 GLU C C 81 176.123 176.123 176.693 -0.570 19939 1953 1 6 . 1 1 81 81 GLU CA C 81 56.672 56.672 58.425 -1.753 19939 1954 1 6 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.192 1.068 19939 1955 1 6 . 1 1 81 81 GLU H H 81 8.434 8.434 8.535 -0.101 19939 1956 1 6 . 1 1 82 82 CYS N N 82 120.924 120.924 117.052 3.872 19939 1957 1 6 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.163 0.322 19939 1958 1 6 . 1 1 82 82 CYS C C 82 174.341 174.341 174.968 -0.627 19939 1959 1 6 . 1 1 82 82 CYS CA C 82 58.456 58.456 60.251 -1.795 19939 1960 1 6 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.195 -0.206 19939 1961 1 6 . 1 1 82 82 CYS H H 82 8.392 8.392 8.256 0.136 19939 1962 1 6 . 1 1 83 83 ARG N N 83 124.156 124.156 119.729 4.427 19939 1963 1 6 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.368 -0.001 19939 1964 1 6 . 1 1 83 83 ARG C C 83 176.140 176.140 175.030 1.110 19939 1965 1 6 . 1 1 83 83 ARG CA C 83 56.268 56.268 55.795 0.473 19939 1966 1 6 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.635 0.227 19939 1967 1 6 . 1 1 83 83 ARG H H 83 8.478 8.478 8.476 0.002 19939 1968 1 6 . 1 1 84 84 LYS N N 84 122.766 122.766 121.433 1.333 19939 1969 1 6 . 1 1 84 84 LYS C C 84 176.555 176.555 175.814 0.741 19939 1970 1 6 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.018 -1.043 19939 1971 1 6 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.714 0.620 19939 1972 1 6 . 1 1 84 84 LYS H H 84 8.413 8.413 7.750 0.663 19939 1973 1 6 . 1 1 85 85 SER N N 85 118.305 118.305 119.979 -1.674 19939 1974 1 6 . 1 1 85 85 SER HA H 85 4.408 4.408 4.418 -0.010 19939 1975 1 6 . 1 1 85 85 SER C C 85 173.669 173.669 172.296 1.373 19939 1976 1 6 . 1 1 85 85 SER CA C 85 58.288 58.288 58.658 -0.370 19939 1977 1 6 . 1 1 85 85 SER CB C 85 63.932 63.932 63.863 0.069 19939 1978 1 6 . 1 1 85 85 SER H H 85 8.440 8.440 8.439 0.001 19939 1979 1 6 . 1 1 86 86 VAL N N 86 123.628 123.628 123.716 -0.088 19939 1980 1 6 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.591 -0.306 19939 1981 1 6 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.465 0.704 19939 1982 1 6 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.270 1.110 19939 1983 1 6 . 1 1 86 86 VAL H H 86 8.279 8.279 7.972 0.307 19939 1984 1 6 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.388 -0.187 19939 1985 1 6 . 1 1 87 87 PRO C C 87 175.673 175.673 177.064 -1.391 19939 1986 1 6 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.790 0.832 19939 1987 1 6 . 1 1 87 87 PRO CB C 87 32.040 32.040 31.813 0.227 19939 1988 1 6 . 1 1 88 88 CYS N N 88 120.983 120.983 121.500 -0.517 19939 1989 1 6 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.379 -0.135 19939 1990 1 6 . 1 1 88 88 CYS C C 88 176.345 176.345 176.232 0.113 19939 1991 1 6 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.223 0.939 19939 1992 1 6 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.454 -0.534 19939 1993 1 6 . 1 1 88 88 CYS H H 88 8.393 8.393 8.533 -0.140 19939 1994 1 6 . 1 1 89 89 GLY N N 89 115.997 115.997 114.018 1.979 19939 1995 1 6 . 1 1 89 89 GLY C C 89 174.168 174.168 173.900 0.268 19939 1996 1 6 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.342 0.108 19939 1997 1 6 . 1 1 89 89 GLY H H 89 9.011 9.011 8.727 0.284 19939 1998 1 6 . 1 1 90 90 TRP N N 90 121.603 121.603 120.673 0.930 19939 1999 1 6 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.035 -0.063 19939 2000 1 6 . 1 1 90 90 TRP C C 90 175.327 175.327 176.007 -0.680 19939 2001 1 6 . 1 1 90 90 TRP CA C 90 57.469 57.469 55.072 2.397 19939 2002 1 6 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.792 -1.287 19939 2003 1 6 . 1 1 90 90 TRP H H 90 8.406 8.406 7.645 0.761 19939 2004 1 6 . 1 1 91 91 GLU N N 91 119.691 119.691 120.869 -1.178 19939 2005 1 6 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.773 0.078 19939 2006 1 6 . 1 1 91 91 GLU C C 91 174.309 174.309 175.097 -0.788 19939 2007 1 6 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.907 0.158 19939 2008 1 6 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.287 0.126 19939 2009 1 6 . 1 1 91 91 GLU H H 91 8.963 8.963 8.412 0.551 19939 2010 1 6 . 1 1 92 92 ARG N N 92 126.749 126.749 126.255 0.494 19939 2011 1 6 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.447 -0.012 19939 2012 1 6 . 1 1 92 92 ARG C C 92 174.635 174.635 174.921 -0.286 19939 2013 1 6 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.235 -0.404 19939 2014 1 6 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.912 1.241 19939 2015 1 6 . 1 1 92 92 ARG H H 92 8.944 8.944 8.638 0.306 19939 2016 1 6 . 1 1 93 93 VAL N N 93 130.450 130.450 126.388 4.062 19939 2017 1 6 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.248 -0.119 19939 2018 1 6 . 1 1 93 93 VAL C C 93 173.391 173.391 173.492 -0.101 19939 2019 1 6 . 1 1 93 93 VAL CA C 93 61.554 61.554 61.230 0.324 19939 2020 1 6 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.074 -0.748 19939 2021 1 6 . 1 1 93 93 VAL H H 93 9.096 9.096 7.922 1.174 19939 2022 1 6 . 1 1 94 94 VAL N N 94 125.534 125.534 122.395 3.139 19939 2023 1 6 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.953 -0.298 19939 2024 1 6 . 1 1 94 94 VAL C C 94 175.830 175.830 174.958 0.872 19939 2025 1 6 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.426 0.869 19939 2026 1 6 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.726 -0.662 19939 2027 1 6 . 1 1 94 94 VAL H H 94 8.341 8.341 8.213 0.128 19939 2028 1 6 . 1 1 95 95 LYS N N 95 128.357 128.357 127.754 0.603 19939 2029 1 6 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.751 0.133 19939 2030 1 6 . 1 1 95 95 LYS C C 95 175.169 175.169 175.692 -0.523 19939 2031 1 6 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.096 -0.360 19939 2032 1 6 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.526 0.664 19939 2033 1 6 . 1 1 95 95 LYS H H 95 9.158 9.158 8.868 0.290 19939 2034 1 6 . 1 1 96 96 GLN N N 96 128.341 128.341 122.491 5.850 19939 2035 1 6 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.384 0.086 19939 2036 1 6 . 1 1 96 96 GLN C C 96 175.665 175.665 176.004 -0.339 19939 2037 1 6 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.082 -0.275 19939 2038 1 6 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.240 -0.121 19939 2039 1 6 . 1 1 96 96 GLN H H 96 8.943 8.943 8.511 0.432 19939 2040 1 6 . 1 1 97 97 ARG N N 97 127.147 127.147 123.804 3.343 19939 2041 1 6 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.286 0.153 19939 2042 1 6 . 1 1 97 97 ARG C C 97 178.214 178.214 176.213 2.001 19939 2043 1 6 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.401 1.319 19939 2044 1 6 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.538 -0.213 19939 2045 1 6 . 1 1 97 97 ARG H H 97 9.117 9.117 8.410 0.707 19939 2046 1 6 . 1 1 98 98 LEU N N 98 125.934 125.934 124.886 1.048 19939 2047 1 6 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.012 0.330 19939 2048 1 6 . 1 1 98 98 LEU C C 98 176.647 176.647 176.035 0.612 19939 2049 1 6 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.777 0.906 19939 2050 1 6 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.964 2.099 19939 2051 1 6 . 1 1 98 98 LEU H H 98 9.054 9.054 8.681 0.373 19939 2052 1 6 . 1 1 99 99 PHE N N 99 119.325 119.325 118.788 0.537 19939 2053 1 6 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.642 0.309 19939 2054 1 6 . 1 1 99 99 PHE C C 99 173.854 173.854 175.139 -1.285 19939 2055 1 6 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.038 -0.334 19939 2056 1 6 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.002 1.753 19939 2057 1 6 . 1 1 99 99 PHE H H 99 8.245 8.245 7.569 0.676 19939 2058 1 6 . 1 1 100 100 GLY N N 100 104.714 104.714 110.234 -5.520 19939 2059 1 6 . 1 1 100 100 GLY C C 100 176.173 176.173 174.130 2.043 19939 2060 1 6 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.397 -0.273 19939 2061 1 6 . 1 1 100 100 GLY H H 100 8.111 8.111 7.957 0.154 19939 2062 1 6 . 1 1 101 101 LYS N N 101 122.597 122.597 121.266 1.331 19939 2063 1 6 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.150 -0.038 19939 2064 1 6 . 1 1 101 101 LYS C C 101 179.615 179.615 177.358 2.257 19939 2065 1 6 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.947 1.723 19939 2066 1 6 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.430 0.344 19939 2067 1 6 . 1 1 101 101 LYS H H 101 9.134 9.134 8.639 0.495 19939 2068 1 6 . 1 1 102 102 THR N N 102 108.650 108.650 110.141 -1.491 19939 2069 1 6 . 1 1 102 102 THR HA H 102 4.339 4.339 4.296 0.043 19939 2070 1 6 . 1 1 102 102 THR C C 102 172.966 172.966 174.358 -1.392 19939 2071 1 6 . 1 1 102 102 THR CA C 102 61.304 61.304 62.185 -0.881 19939 2072 1 6 . 1 1 102 102 THR CB C 102 68.948 68.948 68.762 0.186 19939 2073 1 6 . 1 1 102 102 THR H H 102 8.982 8.982 7.753 1.229 19939 2074 1 6 . 1 1 103 103 ALA N N 103 123.171 123.171 123.699 -0.528 19939 2075 1 6 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.831 -0.464 19939 2076 1 6 . 1 1 103 103 ALA C C 103 178.082 178.082 178.064 0.018 19939 2077 1 6 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.848 0.267 19939 2078 1 6 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.828 -0.887 19939 2079 1 6 . 1 1 103 103 ALA H H 103 6.932 6.932 7.018 -0.086 19939 2080 1 6 . 1 1 104 104 GLY N N 104 111.443 111.443 108.500 2.943 19939 2081 1 6 . 1 1 104 104 GLY C C 104 175.274 175.274 174.619 0.655 19939 2082 1 6 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.672 -0.188 19939 2083 1 6 . 1 1 104 104 GLY H H 104 8.545 8.545 8.328 0.217 19939 2084 1 6 . 1 1 105 105 ARG N N 105 119.647 119.647 121.129 -1.482 19939 2085 1 6 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.589 -0.172 19939 2086 1 6 . 1 1 105 105 ARG C C 105 174.184 174.184 174.945 -0.761 19939 2087 1 6 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.419 1.325 19939 2088 1 6 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.697 -0.956 19939 2089 1 6 . 1 1 105 105 ARG H H 105 7.646 7.646 7.851 -0.205 19939 2090 1 6 . 1 1 106 106 PHE N N 106 117.619 117.619 119.194 -1.575 19939 2091 1 6 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.617 0.806 19939 2092 1 6 . 1 1 106 106 PHE C C 106 175.443 175.443 175.337 0.106 19939 2093 1 6 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.853 -0.665 19939 2094 1 6 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.397 2.131 19939 2095 1 6 . 1 1 106 106 PHE H H 106 8.745 8.745 8.616 0.129 19939 2096 1 6 . 1 1 107 107 ASP N N 107 119.340 119.340 126.864 -7.524 19939 2097 1 6 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.195 -0.017 19939 2098 1 6 . 1 1 107 107 ASP C C 107 173.615 173.615 174.656 -1.041 19939 2099 1 6 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.958 -0.255 19939 2100 1 6 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.040 2.250 19939 2101 1 6 . 1 1 107 107 ASP H H 107 8.858 8.858 8.398 0.460 19939 2102 1 6 . 1 1 108 108 VAL N N 108 121.639 121.639 118.384 3.255 19939 2103 1 6 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.203 -0.290 19939 2104 1 6 . 1 1 108 108 VAL C C 108 174.762 174.762 174.047 0.715 19939 2105 1 6 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.415 1.417 19939 2106 1 6 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.151 -1.212 19939 2107 1 6 . 1 1 108 108 VAL H H 108 8.550 8.550 8.552 -0.002 19939 2108 1 6 . 1 1 109 109 TYR N N 109 121.685 121.685 118.138 3.547 19939 2109 1 6 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.041 0.378 19939 2110 1 6 . 1 1 109 109 TYR C C 109 173.430 173.430 173.350 0.080 19939 2111 1 6 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.047 -0.587 19939 2112 1 6 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.960 2.081 19939 2113 1 6 . 1 1 109 109 TYR H H 109 8.894 8.894 7.749 1.145 19939 2114 1 6 . 1 1 110 110 PHE N N 110 117.355 117.355 119.251 -1.896 19939 2115 1 6 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.323 0.522 19939 2116 1 6 . 1 1 110 110 PHE C C 110 175.425 175.425 175.502 -0.077 19939 2117 1 6 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.384 0.313 19939 2118 1 6 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.295 2.822 19939 2119 1 6 . 1 1 110 110 PHE H H 110 8.898 8.898 8.506 0.392 19939 2120 1 6 . 1 1 111 111 ILE N N 111 121.807 121.807 124.120 -2.313 19939 2121 1 6 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.439 0.791 19939 2122 1 6 . 1 1 111 111 ILE C C 111 176.355 176.355 175.688 0.667 19939 2123 1 6 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.187 -0.208 19939 2124 1 6 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.021 -0.120 19939 2125 1 6 . 1 1 111 111 ILE H H 111 9.660 9.660 8.534 1.126 19939 2126 1 6 . 1 1 112 112 SER N N 112 126.063 126.063 123.138 2.925 19939 2127 1 6 . 1 1 112 112 SER HA H 112 3.051 3.051 4.082 -1.031 19939 2128 1 6 . 1 1 112 112 SER CA C 112 56.697 56.697 58.042 -1.345 19939 2129 1 6 . 1 1 112 112 SER CB C 112 63.153 63.153 62.720 0.433 19939 2130 1 6 . 1 1 112 112 SER H H 112 9.416 9.416 7.933 1.483 19939 2131 1 6 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.379 -0.120 19939 2132 1 6 . 1 1 113 113 PRO C C 113 177.214 177.214 176.721 0.493 19939 2133 1 6 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.688 0.226 19939 2134 1 6 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.722 -0.294 19939 2135 1 6 . 1 1 114 114 GLN N N 114 112.298 112.298 116.487 -4.189 19939 2136 1 6 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.333 0.050 19939 2137 1 6 . 1 1 114 114 GLN C C 114 175.990 175.990 177.043 -1.053 19939 2138 1 6 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.640 0.174 19939 2139 1 6 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.146 0.503 19939 2140 1 6 . 1 1 114 114 GLN H H 114 7.175 7.175 8.039 -0.864 19939 2141 1 6 . 1 1 115 115 GLY N N 115 108.911 108.911 107.392 1.519 19939 2142 1 6 . 1 1 115 115 GLY C C 115 174.162 174.162 173.865 0.297 19939 2143 1 6 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.274 0.045 19939 2144 1 6 . 1 1 115 115 GLY H H 115 8.150 8.150 8.011 0.139 19939 2145 1 6 . 1 1 116 116 LEU N N 116 121.038 121.038 121.333 -0.295 19939 2146 1 6 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.152 0.030 19939 2147 1 6 . 1 1 116 116 LEU C C 116 175.187 175.187 175.744 -0.557 19939 2148 1 6 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.632 0.140 19939 2149 1 6 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.393 0.150 19939 2150 1 6 . 1 1 116 116 LEU H H 116 7.166 7.166 7.523 -0.357 19939 2151 1 6 . 1 1 117 117 LYS N N 117 121.584 121.584 120.260 1.324 19939 2152 1 6 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.036 1.233 19939 2153 1 6 . 1 1 117 117 LYS C C 117 175.984 175.984 174.714 1.270 19939 2154 1 6 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.280 0.153 19939 2155 1 6 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.121 0.442 19939 2156 1 6 . 1 1 117 117 LYS H H 117 8.238 8.238 7.736 0.502 19939 2157 1 6 . 1 1 118 118 PHE N N 118 121.828 121.828 122.481 -0.653 19939 2158 1 6 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.665 0.247 19939 2159 1 6 . 1 1 118 118 PHE C C 118 176.449 176.449 174.153 2.296 19939 2160 1 6 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.295 0.711 19939 2161 1 6 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.301 0.667 19939 2162 1 6 . 1 1 118 118 PHE H H 118 9.639 9.639 8.043 1.595 19939 2163 1 6 . 1 1 119 119 ARG N N 119 119.546 119.546 119.690 -0.144 19939 2164 1 6 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.603 0.508 19939 2165 1 6 . 1 1 119 119 ARG C C 119 174.704 174.704 174.472 0.232 19939 2166 1 6 . 1 1 119 119 ARG CA C 119 55.171 55.171 56.087 -0.916 19939 2167 1 6 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.501 0.319 19939 2168 1 6 . 1 1 119 119 ARG H H 119 9.589 9.589 8.536 1.053 19939 2169 1 6 . 1 1 120 120 SER N N 120 110.737 110.737 115.429 -4.692 19939 2170 1 6 . 1 1 120 120 SER HA H 120 4.341 4.341 4.759 -0.418 19939 2171 1 6 . 1 1 120 120 SER C C 120 172.793 172.793 174.689 -1.896 19939 2172 1 6 . 1 1 120 120 SER CA C 120 56.032 56.032 56.915 -0.883 19939 2173 1 6 . 1 1 120 120 SER CB C 120 66.492 66.492 65.400 1.092 19939 2174 1 6 . 1 1 120 120 SER H H 120 7.625 7.625 7.706 -0.081 19939 2175 1 6 . 1 1 121 121 LYS N N 121 125.451 125.451 126.372 -0.921 19939 2176 1 6 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.231 -0.597 19939 2177 1 6 . 1 1 121 121 LYS C C 121 178.826 178.826 178.101 0.725 19939 2178 1 6 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.422 0.213 19939 2179 1 6 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.433 -1.279 19939 2180 1 6 . 1 1 121 121 LYS H H 121 8.816 8.816 9.020 -0.204 19939 2181 1 6 . 1 1 122 122 SER N N 122 115.374 115.374 114.203 1.171 19939 2182 1 6 . 1 1 122 122 SER HA H 122 4.136 4.136 4.260 -0.124 19939 2183 1 6 . 1 1 122 122 SER C C 122 177.427 177.427 176.660 0.767 19939 2184 1 6 . 1 1 122 122 SER CA C 122 61.492 61.492 61.618 -0.126 19939 2185 1 6 . 1 1 122 122 SER CB C 122 62.342 62.342 62.676 -0.334 19939 2186 1 6 . 1 1 122 122 SER H H 122 8.834 8.834 8.091 0.743 19939 2187 1 6 . 1 1 123 123 SER N N 123 118.263 118.263 118.545 -0.282 19939 2188 1 6 . 1 1 123 123 SER HA H 123 4.418 4.418 4.146 0.272 19939 2189 1 6 . 1 1 123 123 SER C C 123 178.017 178.017 176.529 1.488 19939 2190 1 6 . 1 1 123 123 SER CA C 123 61.540 61.540 61.558 -0.018 19939 2191 1 6 . 1 1 123 123 SER CB C 123 62.967 62.967 62.924 0.043 19939 2192 1 6 . 1 1 123 123 SER H H 123 8.043 8.043 7.851 0.192 19939 2193 1 6 . 1 1 124 124 LEU N N 124 126.780 126.780 122.197 4.583 19939 2194 1 6 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.691 -0.043 19939 2195 1 6 . 1 1 124 124 LEU C C 124 177.987 177.987 177.446 0.541 19939 2196 1 6 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.672 0.591 19939 2197 1 6 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.471 0.830 19939 2198 1 6 . 1 1 124 124 LEU H H 124 7.686 7.686 7.817 -0.131 19939 2199 1 6 . 1 1 125 125 ALA N N 125 121.665 121.665 119.669 1.996 19939 2200 1 6 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.953 -0.263 19939 2201 1 6 . 1 1 125 125 ALA C C 125 180.032 180.032 179.297 0.735 19939 2202 1 6 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.294 0.393 19939 2203 1 6 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.045 -0.165 19939 2204 1 6 . 1 1 125 125 ALA H H 125 8.912 8.912 7.902 1.010 19939 2205 1 6 . 1 1 126 126 ASN N N 126 115.720 115.720 117.373 -1.653 19939 2206 1 6 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.506 -0.013 19939 2207 1 6 . 1 1 126 126 ASN C C 126 177.174 177.174 176.773 0.401 19939 2208 1 6 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.633 0.738 19939 2209 1 6 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.202 0.321 19939 2210 1 6 . 1 1 126 126 ASN H H 126 7.963 7.963 7.433 0.530 19939 2211 1 6 . 1 1 127 127 TYR N N 127 121.605 121.605 122.015 -0.410 19939 2212 1 6 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.046 0.243 19939 2213 1 6 . 1 1 127 127 TYR C C 127 177.895 177.895 177.791 0.104 19939 2214 1 6 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.527 0.049 19939 2215 1 6 . 1 1 127 127 TYR CB C 127 39.051 39.051 37.895 1.156 19939 2216 1 6 . 1 1 127 127 TYR H H 127 7.746 7.746 7.959 -0.213 19939 2217 1 6 . 1 1 128 128 LEU N N 128 119.365 119.365 117.904 1.461 19939 2218 1 6 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.534 0.264 19939 2219 1 6 . 1 1 128 128 LEU C C 128 179.418 179.418 178.810 0.608 19939 2220 1 6 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.601 0.135 19939 2221 1 6 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.436 -0.543 19939 2222 1 6 . 1 1 128 128 LEU H H 128 8.600 8.600 8.062 0.538 19939 2223 1 6 . 1 1 129 129 HIS N N 129 115.982 115.982 118.455 -2.473 19939 2224 1 6 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.165 0.349 19939 2225 1 6 . 1 1 129 129 HIS C C 129 178.014 178.014 177.547 0.467 19939 2226 1 6 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.741 -1.663 19939 2227 1 6 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.924 -0.577 19939 2228 1 6 . 1 1 129 129 HIS H H 129 8.041 8.041 7.639 0.402 19939 2229 1 6 . 1 1 130 130 LYS N N 130 119.804 119.804 119.551 0.253 19939 2230 1 6 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.086 -0.004 19939 2231 1 6 . 1 1 130 130 LYS C C 130 177.320 177.320 178.290 -0.970 19939 2232 1 6 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.737 -0.376 19939 2233 1 6 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.399 0.171 19939 2234 1 6 . 1 1 130 130 LYS H H 130 8.136 8.136 8.018 0.118 19939 2235 1 6 . 1 1 131 131 ASN N N 131 115.918 115.918 115.963 -0.045 19939 2236 1 6 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.612 0.044 19939 2237 1 6 . 1 1 131 131 ASN C C 131 175.335 175.335 175.205 0.130 19939 2238 1 6 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.709 -0.118 19939 2239 1 6 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.705 0.575 19939 2240 1 6 . 1 1 131 131 ASN H H 131 7.663 7.663 7.489 0.174 19939 2241 1 6 . 1 1 132 132 GLY N N 132 108.472 108.472 105.934 2.538 19939 2242 1 6 . 1 1 132 132 GLY C C 132 174.647 174.647 174.772 -0.125 19939 2243 1 6 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.761 0.568 19939 2244 1 6 . 1 1 132 132 GLY H H 132 7.854 7.854 8.047 -0.193 19939 2245 1 6 . 1 1 133 133 GLU N N 133 120.028 120.028 118.722 1.306 19939 2246 1 6 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.307 0.053 19939 2247 1 6 . 1 1 133 133 GLU C C 133 177.324 177.324 176.660 0.664 19939 2248 1 6 . 1 1 133 133 GLU CA C 133 56.712 56.712 57.502 -0.790 19939 2249 1 6 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.624 -0.735 19939 2250 1 6 . 1 1 133 133 GLU H H 133 8.142 8.142 8.139 0.003 19939 2251 1 6 . 1 1 134 134 THR N N 134 114.986 114.986 108.688 6.298 19939 2252 1 6 . 1 1 134 134 THR HA H 134 4.362 4.362 3.997 0.365 19939 2253 1 6 . 1 1 134 134 THR C C 134 174.926 174.926 175.253 -0.327 19939 2254 1 6 . 1 1 134 134 THR CA C 134 62.028 62.028 64.038 -2.010 19939 2255 1 6 . 1 1 134 134 THR CB C 134 69.927 69.927 66.982 2.945 19939 2256 1 6 . 1 1 134 134 THR H H 134 8.363 8.363 8.022 0.341 19939 2257 1 6 . 1 1 135 135 SER N N 135 118.353 118.353 115.948 2.405 19939 2258 1 6 . 1 1 135 135 SER HA H 135 4.530 4.530 4.257 0.273 19939 2259 1 6 . 1 1 135 135 SER C C 135 174.284 174.284 174.622 -0.338 19939 2260 1 6 . 1 1 135 135 SER CA C 135 59.506 59.506 60.310 -0.804 19939 2261 1 6 . 1 1 135 135 SER CB C 135 63.812 63.812 63.440 0.372 19939 2262 1 6 . 1 1 135 135 SER H H 135 8.580 8.580 8.244 0.336 19939 2263 1 6 . 1 1 136 136 LEU N N 136 122.995 122.995 122.571 0.424 19939 2264 1 6 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.292 0.164 19939 2265 1 6 . 1 1 136 136 LEU C C 136 175.105 175.105 176.209 -1.104 19939 2266 1 6 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.239 -0.718 19939 2267 1 6 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.490 1.986 19939 2268 1 6 . 1 1 136 136 LEU H H 136 8.048 8.048 7.974 0.074 19939 2269 1 6 . 1 1 137 137 LYS N N 137 121.086 121.086 123.083 -1.997 19939 2270 1 6 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.699 -0.633 19939 2271 1 6 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.806 0.395 19939 2272 1 6 . 1 1 137 137 LYS H H 137 8.786 8.786 8.226 0.560 19939 2273 1 6 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.562 -0.606 19939 2274 1 6 . 1 1 138 138 PRO C C 138 177.652 177.652 178.073 -0.421 19939 2275 1 6 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.608 0.429 19939 2276 1 6 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.926 -0.457 19939 2277 1 6 . 1 1 139 139 GLU N N 139 113.380 113.380 115.471 -2.091 19939 2278 1 6 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.003 0.142 19939 2279 1 6 . 1 1 139 139 GLU C C 139 176.688 176.688 177.262 -0.574 19939 2280 1 6 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.775 0.996 19939 2281 1 6 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.006 0.528 19939 2282 1 6 . 1 1 139 139 GLU H H 139 8.889 8.889 8.683 0.206 19939 2283 1 6 . 1 1 140 140 ASP N N 140 119.519 119.519 119.441 0.078 19939 2284 1 6 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.452 -0.148 19939 2285 1 6 . 1 1 140 140 ASP C C 140 174.537 174.537 175.740 -1.203 19939 2286 1 6 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.773 0.135 19939 2287 1 6 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.563 -0.690 19939 2288 1 6 . 1 1 140 140 ASP H H 140 8.027 8.027 8.242 -0.215 19939 2289 1 6 . 1 1 141 141 PHE N N 141 118.825 118.825 117.785 1.040 19939 2290 1 6 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.588 -0.721 19939 2291 1 6 . 1 1 141 141 PHE C C 141 173.522 173.522 174.170 -0.648 19939 2292 1 6 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.917 0.351 19939 2293 1 6 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.515 -0.036 19939 2294 1 6 . 1 1 141 141 PHE H H 141 7.539 7.539 7.467 0.072 19939 2295 1 6 . 1 1 142 142 ASP N N 142 122.733 122.733 125.983 -3.250 19939 2296 1 6 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.790 0.092 19939 2297 1 6 . 1 1 142 142 ASP C C 142 176.424 176.424 175.813 0.611 19939 2298 1 6 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.599 1.024 19939 2299 1 6 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.778 -1.095 19939 2300 1 6 . 1 1 142 142 ASP H H 142 8.546 8.546 8.569 -0.023 19939 2301 1 6 . 1 1 143 143 PHE N N 143 127.545 127.545 122.441 5.104 19939 2302 1 6 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.678 -0.170 19939 2303 1 6 . 1 1 143 143 PHE C C 143 174.878 174.878 175.366 -0.488 19939 2304 1 6 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.858 0.144 19939 2305 1 6 . 1 1 143 143 PHE CB C 143 39.504 39.504 38.643 0.861 19939 2306 1 6 . 1 1 143 143 PHE H H 143 9.406 9.406 8.658 0.748 19939 2307 1 6 . 1 1 144 144 THR N N 144 114.719 114.719 116.294 -1.575 19939 2308 1 6 . 1 1 144 144 THR HA H 144 4.581 4.581 3.779 0.802 19939 2309 1 6 . 1 1 144 144 THR CA C 144 62.519 62.519 62.187 0.332 19939 2310 1 6 . 1 1 144 144 THR CB C 144 70.241 70.241 68.953 1.288 19939 2311 1 6 . 1 1 144 144 THR H H 144 8.360 8.360 6.724 1.636 19939 2312 1 6 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.922 0.070 19939 2313 1 6 . 1 1 145 145 VAL C C 145 176.097 176.097 175.321 0.776 19939 2314 1 6 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.249 -0.507 19939 2315 1 6 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.743 0.772 19939 2316 1 6 . 1 1 145 145 VAL H H 145 8.856 8.856 8.450 0.406 19939 2317 1 6 . 1 1 146 146 LEU N N 146 124.454 124.454 129.947 -5.493 19939 2318 1 6 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.347 0.019 19939 2319 1 6 . 1 1 146 146 LEU C C 146 176.924 176.924 177.357 -0.433 19939 2320 1 6 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.186 -1.223 19939 2321 1 6 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.568 -0.130 19939 2322 1 6 . 1 1 146 146 LEU H H 146 8.082 8.082 8.895 -0.813 19939 2323 1 6 . 1 1 147 147 SER N N 147 117.581 117.581 112.729 4.852 19939 2324 1 6 . 1 1 147 147 SER HA H 147 4.589 4.589 4.353 0.236 19939 2325 1 6 . 1 1 147 147 SER C C 147 173.419 173.419 173.689 -0.270 19939 2326 1 6 . 1 1 147 147 SER CA C 147 58.281 58.281 58.558 -0.277 19939 2327 1 6 . 1 1 147 147 SER CB C 147 63.886 63.886 63.722 0.164 19939 2328 1 6 . 1 1 147 147 SER H H 147 8.216 8.216 7.938 0.278 19939 2329 1 7 . 1 1 79 79 SER C C 79 174.960 174.960 174.687 0.273 19939 2330 1 7 . 1 1 79 79 SER CA C 79 58.539 58.539 57.707 0.832 19939 2331 1 7 . 1 1 79 79 SER CB C 79 64.005 64.005 63.885 0.120 19939 2332 1 7 . 1 1 80 80 THR N N 80 115.664 115.664 120.006 -4.342 19939 2333 1 7 . 1 1 80 80 THR HA H 80 4.389 4.389 4.292 0.097 19939 2334 1 7 . 1 1 80 80 THR C C 80 174.574 174.574 174.287 0.287 19939 2335 1 7 . 1 1 80 80 THR CA C 80 62.123 62.123 63.064 -0.941 19939 2336 1 7 . 1 1 80 80 THR CB C 80 69.660 69.660 69.575 0.085 19939 2337 1 7 . 1 1 80 80 THR H H 80 8.340 8.340 8.624 -0.284 19939 2338 1 7 . 1 1 81 81 GLU N N 81 123.120 123.120 120.072 3.048 19939 2339 1 7 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.431 -0.116 19939 2340 1 7 . 1 1 81 81 GLU C C 81 176.123 176.123 174.610 1.513 19939 2341 1 7 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.910 -0.237 19939 2342 1 7 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.810 -0.550 19939 2343 1 7 . 1 1 81 81 GLU H H 81 8.434 8.434 7.936 0.498 19939 2344 1 7 . 1 1 82 82 CYS N N 82 120.924 120.924 125.104 -4.180 19939 2345 1 7 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.697 -0.212 19939 2346 1 7 . 1 1 82 82 CYS C C 82 174.341 174.341 173.760 0.581 19939 2347 1 7 . 1 1 82 82 CYS CA C 82 58.456 58.456 59.070 -0.614 19939 2348 1 7 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.293 -0.304 19939 2349 1 7 . 1 1 82 82 CYS H H 82 8.392 8.392 8.901 -0.509 19939 2350 1 7 . 1 1 83 83 ARG N N 83 124.156 124.156 122.070 2.086 19939 2351 1 7 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.157 0.210 19939 2352 1 7 . 1 1 83 83 ARG C C 83 176.140 176.140 175.457 0.683 19939 2353 1 7 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.749 -0.481 19939 2354 1 7 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.514 0.348 19939 2355 1 7 . 1 1 83 83 ARG H H 83 8.478 8.478 8.249 0.229 19939 2356 1 7 . 1 1 84 84 LYS N N 84 122.766 122.766 121.367 1.399 19939 2357 1 7 . 1 1 84 84 LYS C C 84 176.555 176.555 175.528 1.027 19939 2358 1 7 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.875 -0.900 19939 2359 1 7 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.648 0.686 19939 2360 1 7 . 1 1 84 84 LYS H H 84 8.413 8.413 8.458 -0.045 19939 2361 1 7 . 1 1 85 85 SER N N 85 118.305 118.305 111.814 6.491 19939 2362 1 7 . 1 1 85 85 SER HA H 85 4.408 4.408 3.989 0.419 19939 2363 1 7 . 1 1 85 85 SER C C 85 173.669 173.669 172.655 1.014 19939 2364 1 7 . 1 1 85 85 SER CA C 85 58.288 58.288 59.910 -1.622 19939 2365 1 7 . 1 1 85 85 SER CB C 85 63.932 63.932 62.727 1.205 19939 2366 1 7 . 1 1 85 85 SER H H 85 8.440 8.440 8.567 -0.127 19939 2367 1 7 . 1 1 86 86 VAL N N 86 123.628 123.628 119.497 4.131 19939 2368 1 7 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.455 -0.170 19939 2369 1 7 . 1 1 86 86 VAL CA C 86 60.169 60.169 58.647 1.522 19939 2370 1 7 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.742 0.638 19939 2371 1 7 . 1 1 86 86 VAL H H 86 8.279 8.279 7.652 0.627 19939 2372 1 7 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.531 -0.330 19939 2373 1 7 . 1 1 87 87 PRO C C 87 175.673 175.673 177.015 -1.342 19939 2374 1 7 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.602 1.020 19939 2375 1 7 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.270 -0.230 19939 2376 1 7 . 1 1 88 88 CYS N N 88 120.983 120.983 121.666 -0.683 19939 2377 1 7 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.350 -0.106 19939 2378 1 7 . 1 1 88 88 CYS C C 88 176.345 176.345 176.663 -0.318 19939 2379 1 7 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.389 -0.227 19939 2380 1 7 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.502 -0.582 19939 2381 1 7 . 1 1 88 88 CYS H H 88 8.393 8.393 8.663 -0.270 19939 2382 1 7 . 1 1 89 89 GLY N N 89 115.997 115.997 112.639 3.358 19939 2383 1 7 . 1 1 89 89 GLY C C 89 174.168 174.168 173.239 0.929 19939 2384 1 7 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.036 0.414 19939 2385 1 7 . 1 1 89 89 GLY H H 89 9.011 9.011 8.631 0.380 19939 2386 1 7 . 1 1 90 90 TRP N N 90 121.603 121.603 120.395 1.208 19939 2387 1 7 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.030 -0.058 19939 2388 1 7 . 1 1 90 90 TRP C C 90 175.327 175.327 176.129 -0.802 19939 2389 1 7 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.364 1.105 19939 2390 1 7 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.289 -1.784 19939 2391 1 7 . 1 1 90 90 TRP H H 90 8.406 8.406 7.484 0.922 19939 2392 1 7 . 1 1 91 91 GLU N N 91 119.691 119.691 121.410 -1.719 19939 2393 1 7 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.814 0.037 19939 2394 1 7 . 1 1 91 91 GLU C C 91 174.309 174.309 175.334 -1.025 19939 2395 1 7 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.312 -0.247 19939 2396 1 7 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.784 0.629 19939 2397 1 7 . 1 1 91 91 GLU H H 91 8.963 8.963 8.597 0.366 19939 2398 1 7 . 1 1 92 92 ARG N N 92 126.749 126.749 123.487 3.262 19939 2399 1 7 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.788 -0.353 19939 2400 1 7 . 1 1 92 92 ARG C C 92 174.635 174.635 175.564 -0.929 19939 2401 1 7 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.579 -0.748 19939 2402 1 7 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.542 1.611 19939 2403 1 7 . 1 1 92 92 ARG H H 92 8.944 8.944 8.629 0.315 19939 2404 1 7 . 1 1 93 93 VAL N N 93 130.450 130.450 127.808 2.642 19939 2405 1 7 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.390 -0.261 19939 2406 1 7 . 1 1 93 93 VAL C C 93 173.391 173.391 174.069 -0.678 19939 2407 1 7 . 1 1 93 93 VAL CA C 93 61.554 61.554 61.151 0.403 19939 2408 1 7 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.132 -0.806 19939 2409 1 7 . 1 1 93 93 VAL H H 93 9.096 9.096 8.220 0.876 19939 2410 1 7 . 1 1 94 94 VAL N N 94 125.534 125.534 120.989 4.545 19939 2411 1 7 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.047 -0.392 19939 2412 1 7 . 1 1 94 94 VAL C C 94 175.830 175.830 175.113 0.717 19939 2413 1 7 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.174 1.121 19939 2414 1 7 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.285 -1.221 19939 2415 1 7 . 1 1 94 94 VAL H H 94 8.341 8.341 8.276 0.065 19939 2416 1 7 . 1 1 95 95 LYS N N 95 128.357 128.357 125.348 3.009 19939 2417 1 7 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.797 0.087 19939 2418 1 7 . 1 1 95 95 LYS C C 95 175.169 175.169 175.574 -0.405 19939 2419 1 7 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.745 -0.009 19939 2420 1 7 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.774 0.416 19939 2421 1 7 . 1 1 95 95 LYS H H 95 9.158 9.158 8.947 0.211 19939 2422 1 7 . 1 1 96 96 GLN N N 96 128.341 128.341 123.486 4.855 19939 2423 1 7 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.388 0.082 19939 2424 1 7 . 1 1 96 96 GLN C C 96 175.665 175.665 175.777 -0.112 19939 2425 1 7 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.829 -1.022 19939 2426 1 7 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.780 0.339 19939 2427 1 7 . 1 1 96 96 GLN H H 96 8.943 8.943 8.593 0.350 19939 2428 1 7 . 1 1 97 97 ARG N N 97 127.147 127.147 125.963 1.184 19939 2429 1 7 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.373 0.066 19939 2430 1 7 . 1 1 97 97 ARG C C 97 178.214 178.214 175.815 2.399 19939 2431 1 7 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.733 1.986 19939 2432 1 7 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.923 -0.598 19939 2433 1 7 . 1 1 97 97 ARG H H 97 9.117 9.117 8.592 0.525 19939 2434 1 7 . 1 1 98 98 LEU N N 98 125.934 125.934 122.575 3.359 19939 2435 1 7 . 1 1 98 98 LEU HA H 98 4.342 4.342 3.972 0.370 19939 2436 1 7 . 1 1 98 98 LEU C C 98 176.647 176.647 176.909 -0.262 19939 2437 1 7 . 1 1 98 98 LEU CA C 98 55.683 55.683 55.441 0.242 19939 2438 1 7 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.998 2.065 19939 2439 1 7 . 1 1 98 98 LEU H H 98 9.054 9.054 8.290 0.764 19939 2440 1 7 . 1 1 99 99 PHE N N 99 119.325 119.325 115.305 4.020 19939 2441 1 7 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.754 0.197 19939 2442 1 7 . 1 1 99 99 PHE C C 99 173.854 173.854 175.701 -1.847 19939 2443 1 7 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.040 -0.336 19939 2444 1 7 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.835 0.920 19939 2445 1 7 . 1 1 99 99 PHE H H 99 8.245 8.245 7.841 0.404 19939 2446 1 7 . 1 1 100 100 GLY N N 100 104.714 104.714 110.493 -5.779 19939 2447 1 7 . 1 1 100 100 GLY C C 100 176.173 176.173 173.570 2.603 19939 2448 1 7 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.733 -0.609 19939 2449 1 7 . 1 1 100 100 GLY H H 100 8.111 8.111 8.577 -0.466 19939 2450 1 7 . 1 1 101 101 LYS N N 101 122.597 122.597 120.312 2.285 19939 2451 1 7 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.388 -0.276 19939 2452 1 7 . 1 1 101 101 LYS C C 101 179.615 179.615 177.324 2.291 19939 2453 1 7 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.259 2.411 19939 2454 1 7 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.997 -0.223 19939 2455 1 7 . 1 1 101 101 LYS H H 101 9.134 9.134 8.346 0.788 19939 2456 1 7 . 1 1 102 102 THR N N 102 108.650 108.650 110.608 -1.958 19939 2457 1 7 . 1 1 102 102 THR HA H 102 4.339 4.339 4.398 -0.059 19939 2458 1 7 . 1 1 102 102 THR C C 102 172.966 172.966 174.306 -1.340 19939 2459 1 7 . 1 1 102 102 THR CA C 102 61.304 61.304 60.935 0.369 19939 2460 1 7 . 1 1 102 102 THR CB C 102 68.948 68.948 69.240 -0.292 19939 2461 1 7 . 1 1 102 102 THR H H 102 8.982 8.982 7.631 1.351 19939 2462 1 7 . 1 1 103 103 ALA N N 103 123.171 123.171 124.037 -0.866 19939 2463 1 7 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.049 -0.682 19939 2464 1 7 . 1 1 103 103 ALA C C 103 178.082 178.082 178.875 -0.793 19939 2465 1 7 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.724 0.391 19939 2466 1 7 . 1 1 103 103 ALA CB C 103 17.941 17.941 19.017 -1.075 19939 2467 1 7 . 1 1 103 103 ALA H H 103 6.932 6.932 7.531 -0.599 19939 2468 1 7 . 1 1 104 104 GLY N N 104 111.443 111.443 107.196 4.247 19939 2469 1 7 . 1 1 104 104 GLY C C 104 175.274 175.274 174.152 1.122 19939 2470 1 7 . 1 1 104 104 GLY CA C 104 44.484 44.484 45.462 -0.978 19939 2471 1 7 . 1 1 104 104 GLY H H 104 8.545 8.545 8.822 -0.277 19939 2472 1 7 . 1 1 105 105 ARG N N 105 119.647 119.647 120.538 -0.891 19939 2473 1 7 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.498 -0.081 19939 2474 1 7 . 1 1 105 105 ARG C C 105 174.184 174.184 175.139 -0.955 19939 2475 1 7 . 1 1 105 105 ARG CA C 105 56.744 56.744 54.780 1.964 19939 2476 1 7 . 1 1 105 105 ARG CB C 105 30.741 30.741 32.009 -1.268 19939 2477 1 7 . 1 1 105 105 ARG H H 105 7.646 7.646 7.279 0.367 19939 2478 1 7 . 1 1 106 106 PHE N N 106 117.619 117.619 123.956 -6.337 19939 2479 1 7 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.725 0.698 19939 2480 1 7 . 1 1 106 106 PHE C C 106 175.443 175.443 175.626 -0.183 19939 2481 1 7 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.680 -0.492 19939 2482 1 7 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.460 2.068 19939 2483 1 7 . 1 1 106 106 PHE H H 106 8.745 8.745 8.735 0.010 19939 2484 1 7 . 1 1 107 107 ASP N N 107 119.340 119.340 125.752 -6.412 19939 2485 1 7 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.194 -0.016 19939 2486 1 7 . 1 1 107 107 ASP C C 107 173.615 173.615 174.817 -1.202 19939 2487 1 7 . 1 1 107 107 ASP CA C 107 53.703 53.703 54.080 -0.377 19939 2488 1 7 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.704 1.586 19939 2489 1 7 . 1 1 107 107 ASP H H 107 8.858 8.858 8.497 0.361 19939 2490 1 7 . 1 1 108 108 VAL N N 108 121.639 121.639 119.201 2.438 19939 2491 1 7 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.294 -0.381 19939 2492 1 7 . 1 1 108 108 VAL C C 108 174.762 174.762 173.993 0.769 19939 2493 1 7 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.361 0.471 19939 2494 1 7 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.875 -1.936 19939 2495 1 7 . 1 1 108 108 VAL H H 108 8.550 8.550 8.555 -0.005 19939 2496 1 7 . 1 1 109 109 TYR N N 109 121.685 121.685 119.364 2.321 19939 2497 1 7 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.043 0.376 19939 2498 1 7 . 1 1 109 109 TYR C C 109 173.430 173.430 173.340 0.090 19939 2499 1 7 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.387 -0.927 19939 2500 1 7 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.962 2.079 19939 2501 1 7 . 1 1 109 109 TYR H H 109 8.894 8.894 8.257 0.637 19939 2502 1 7 . 1 1 110 110 PHE N N 110 117.355 117.355 116.622 0.733 19939 2503 1 7 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.639 0.206 19939 2504 1 7 . 1 1 110 110 PHE C C 110 175.425 175.425 174.764 0.661 19939 2505 1 7 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.761 1.935 19939 2506 1 7 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.261 2.857 19939 2507 1 7 . 1 1 110 110 PHE H H 110 8.898 8.898 7.222 1.676 19939 2508 1 7 . 1 1 111 111 ILE N N 111 121.807 121.807 121.389 0.418 19939 2509 1 7 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.724 0.506 19939 2510 1 7 . 1 1 111 111 ILE C C 111 176.355 176.355 175.504 0.851 19939 2511 1 7 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.281 -0.302 19939 2512 1 7 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.843 -0.942 19939 2513 1 7 . 1 1 111 111 ILE H H 111 9.660 9.660 8.375 1.285 19939 2514 1 7 . 1 1 112 112 SER N N 112 126.063 126.063 121.182 4.881 19939 2515 1 7 . 1 1 112 112 SER HA H 112 3.051 3.051 3.866 -0.815 19939 2516 1 7 . 1 1 112 112 SER CA C 112 56.697 56.697 55.294 1.403 19939 2517 1 7 . 1 1 112 112 SER CB C 112 63.153 63.153 64.310 -1.157 19939 2518 1 7 . 1 1 112 112 SER H H 112 9.416 9.416 8.575 0.841 19939 2519 1 7 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.204 0.055 19939 2520 1 7 . 1 1 113 113 PRO C C 113 177.214 177.214 177.791 -0.577 19939 2521 1 7 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.782 0.132 19939 2522 1 7 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.654 -0.226 19939 2523 1 7 . 1 1 114 114 GLN N N 114 112.298 112.298 117.473 -5.175 19939 2524 1 7 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.248 0.135 19939 2525 1 7 . 1 1 114 114 GLN C C 114 175.990 175.990 176.844 -0.854 19939 2526 1 7 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.515 0.299 19939 2527 1 7 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.448 0.201 19939 2528 1 7 . 1 1 114 114 GLN H H 114 7.175 7.175 8.049 -0.874 19939 2529 1 7 . 1 1 115 115 GLY N N 115 108.911 108.911 106.457 2.454 19939 2530 1 7 . 1 1 115 115 GLY C C 115 174.162 174.162 174.001 0.161 19939 2531 1 7 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.405 -0.086 19939 2532 1 7 . 1 1 115 115 GLY H H 115 8.150 8.150 7.751 0.399 19939 2533 1 7 . 1 1 116 116 LEU N N 116 121.038 121.038 121.417 -0.379 19939 2534 1 7 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.148 0.034 19939 2535 1 7 . 1 1 116 116 LEU C C 116 175.187 175.187 175.881 -0.694 19939 2536 1 7 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.284 0.488 19939 2537 1 7 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.331 0.212 19939 2538 1 7 . 1 1 116 116 LEU H H 116 7.166 7.166 7.625 -0.459 19939 2539 1 7 . 1 1 117 117 LYS N N 117 121.584 121.584 120.644 0.940 19939 2540 1 7 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.416 0.853 19939 2541 1 7 . 1 1 117 117 LYS C C 117 175.984 175.984 175.357 0.627 19939 2542 1 7 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.722 -0.290 19939 2543 1 7 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.923 0.640 19939 2544 1 7 . 1 1 117 117 LYS H H 117 8.238 8.238 7.954 0.284 19939 2545 1 7 . 1 1 118 118 PHE N N 118 121.828 121.828 121.599 0.229 19939 2546 1 7 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.653 0.259 19939 2547 1 7 . 1 1 118 118 PHE C C 118 176.449 176.449 174.194 2.255 19939 2548 1 7 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.177 0.829 19939 2549 1 7 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.195 0.773 19939 2550 1 7 . 1 1 118 118 PHE H H 118 9.639 9.639 8.135 1.504 19939 2551 1 7 . 1 1 119 119 ARG N N 119 119.546 119.546 120.856 -1.310 19939 2552 1 7 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.120 0.991 19939 2553 1 7 . 1 1 119 119 ARG C C 119 174.704 174.704 175.408 -0.704 19939 2554 1 7 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.705 -0.534 19939 2555 1 7 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.440 0.380 19939 2556 1 7 . 1 1 119 119 ARG H H 119 9.589 9.589 8.481 1.108 19939 2557 1 7 . 1 1 120 120 SER N N 120 110.737 110.737 115.544 -4.807 19939 2558 1 7 . 1 1 120 120 SER HA H 120 4.341 4.341 4.882 -0.541 19939 2559 1 7 . 1 1 120 120 SER C C 120 172.793 172.793 175.298 -2.505 19939 2560 1 7 . 1 1 120 120 SER CA C 120 56.032 56.032 56.130 -0.098 19939 2561 1 7 . 1 1 120 120 SER CB C 120 66.492 66.492 64.635 1.857 19939 2562 1 7 . 1 1 120 120 SER H H 120 7.625 7.625 7.761 -0.136 19939 2563 1 7 . 1 1 121 121 LYS N N 121 125.451 125.451 127.074 -1.623 19939 2564 1 7 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.418 -0.784 19939 2565 1 7 . 1 1 121 121 LYS C C 121 178.826 178.826 178.046 0.780 19939 2566 1 7 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.282 0.353 19939 2567 1 7 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.262 -1.108 19939 2568 1 7 . 1 1 121 121 LYS H H 121 8.816 8.816 9.141 -0.325 19939 2569 1 7 . 1 1 122 122 SER N N 122 115.374 115.374 116.396 -1.022 19939 2570 1 7 . 1 1 122 122 SER HA H 122 4.136 4.136 4.216 -0.080 19939 2571 1 7 . 1 1 122 122 SER C C 122 177.427 177.427 176.343 1.084 19939 2572 1 7 . 1 1 122 122 SER CA C 122 61.492 61.492 61.117 0.375 19939 2573 1 7 . 1 1 122 122 SER CB C 122 62.342 62.342 62.801 -0.459 19939 2574 1 7 . 1 1 122 122 SER H H 122 8.834 8.834 7.998 0.836 19939 2575 1 7 . 1 1 123 123 SER N N 123 118.263 118.263 118.026 0.237 19939 2576 1 7 . 1 1 123 123 SER HA H 123 4.418 4.418 4.325 0.093 19939 2577 1 7 . 1 1 123 123 SER C C 123 178.017 178.017 176.643 1.374 19939 2578 1 7 . 1 1 123 123 SER CA C 123 61.540 61.540 61.153 0.387 19939 2579 1 7 . 1 1 123 123 SER CB C 123 62.967 62.967 63.225 -0.258 19939 2580 1 7 . 1 1 123 123 SER H H 123 8.043 8.043 7.895 0.148 19939 2581 1 7 . 1 1 124 124 LEU N N 124 126.780 126.780 122.343 4.437 19939 2582 1 7 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.697 -0.049 19939 2583 1 7 . 1 1 124 124 LEU C C 124 177.987 177.987 178.026 -0.039 19939 2584 1 7 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.884 0.379 19939 2585 1 7 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.623 0.678 19939 2586 1 7 . 1 1 124 124 LEU H H 124 7.686 7.686 7.755 -0.069 19939 2587 1 7 . 1 1 125 125 ALA N N 125 121.665 121.665 120.457 1.208 19939 2588 1 7 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.977 -0.287 19939 2589 1 7 . 1 1 125 125 ALA C C 125 180.032 180.032 179.621 0.411 19939 2590 1 7 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.275 0.412 19939 2591 1 7 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.221 -0.341 19939 2592 1 7 . 1 1 125 125 ALA H H 125 8.912 8.912 8.484 0.428 19939 2593 1 7 . 1 1 126 126 ASN N N 126 115.720 115.720 118.060 -2.340 19939 2594 1 7 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.658 -0.165 19939 2595 1 7 . 1 1 126 126 ASN C C 126 177.174 177.174 177.173 0.001 19939 2596 1 7 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.395 0.976 19939 2597 1 7 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.796 -0.273 19939 2598 1 7 . 1 1 126 126 ASN H H 126 7.963 7.963 8.264 -0.301 19939 2599 1 7 . 1 1 127 127 TYR N N 127 121.605 121.605 122.549 -0.944 19939 2600 1 7 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.294 -0.005 19939 2601 1 7 . 1 1 127 127 TYR C C 127 177.895 177.895 177.807 0.088 19939 2602 1 7 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.788 -0.211 19939 2603 1 7 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.627 0.424 19939 2604 1 7 . 1 1 127 127 TYR H H 127 7.746 7.746 8.584 -0.838 19939 2605 1 7 . 1 1 128 128 LEU N N 128 119.365 119.365 118.380 0.985 19939 2606 1 7 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.446 0.352 19939 2607 1 7 . 1 1 128 128 LEU C C 128 179.418 179.418 178.384 1.034 19939 2608 1 7 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.969 -0.233 19939 2609 1 7 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.596 -0.703 19939 2610 1 7 . 1 1 128 128 LEU H H 128 8.600 8.600 8.514 0.086 19939 2611 1 7 . 1 1 129 129 HIS N N 129 115.982 115.982 116.743 -0.761 19939 2612 1 7 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.237 0.277 19939 2613 1 7 . 1 1 129 129 HIS C C 129 178.014 178.014 177.532 0.482 19939 2614 1 7 . 1 1 129 129 HIS CA C 129 58.078 58.078 58.980 -0.902 19939 2615 1 7 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.853 -0.507 19939 2616 1 7 . 1 1 129 129 HIS H H 129 8.041 8.041 7.625 0.416 19939 2617 1 7 . 1 1 130 130 LYS N N 130 119.804 119.804 119.007 0.797 19939 2618 1 7 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.979 0.103 19939 2619 1 7 . 1 1 130 130 LYS C C 130 177.320 177.320 178.447 -1.127 19939 2620 1 7 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.521 -0.160 19939 2621 1 7 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.443 0.127 19939 2622 1 7 . 1 1 130 130 LYS H H 130 8.136 8.136 7.948 0.188 19939 2623 1 7 . 1 1 131 131 ASN N N 131 115.918 115.918 115.063 0.855 19939 2624 1 7 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.557 0.099 19939 2625 1 7 . 1 1 131 131 ASN C C 131 175.335 175.335 176.113 -0.778 19939 2626 1 7 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.452 0.138 19939 2627 1 7 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.136 0.144 19939 2628 1 7 . 1 1 131 131 ASN H H 131 7.663 7.663 7.868 -0.205 19939 2629 1 7 . 1 1 132 132 GLY N N 132 108.472 108.472 107.634 0.838 19939 2630 1 7 . 1 1 132 132 GLY C C 132 174.647 174.647 173.647 1.000 19939 2631 1 7 . 1 1 132 132 GLY CA C 132 46.329 46.329 44.987 1.342 19939 2632 1 7 . 1 1 132 132 GLY H H 132 7.854 7.854 7.399 0.455 19939 2633 1 7 . 1 1 133 133 GLU N N 133 120.028 120.028 121.957 -1.929 19939 2634 1 7 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.378 -0.018 19939 2635 1 7 . 1 1 133 133 GLU C C 133 177.324 177.324 175.782 1.542 19939 2636 1 7 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.735 0.977 19939 2637 1 7 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.169 -0.280 19939 2638 1 7 . 1 1 133 133 GLU H H 133 8.142 8.142 7.635 0.507 19939 2639 1 7 . 1 1 134 134 THR N N 134 114.986 114.986 117.549 -2.563 19939 2640 1 7 . 1 1 134 134 THR HA H 134 4.362 4.362 4.550 -0.188 19939 2641 1 7 . 1 1 134 134 THR C C 134 174.926 174.926 175.068 -0.142 19939 2642 1 7 . 1 1 134 134 THR CA C 134 62.028 62.028 61.511 0.517 19939 2643 1 7 . 1 1 134 134 THR CB C 134 69.927 69.927 69.460 0.467 19939 2644 1 7 . 1 1 134 134 THR H H 134 8.363 8.363 8.109 0.254 19939 2645 1 7 . 1 1 135 135 SER N N 135 118.353 118.353 117.012 1.341 19939 2646 1 7 . 1 1 135 135 SER HA H 135 4.530 4.530 4.444 0.086 19939 2647 1 7 . 1 1 135 135 SER C C 135 174.284 174.284 174.338 -0.054 19939 2648 1 7 . 1 1 135 135 SER CA C 135 59.506 59.506 59.090 0.416 19939 2649 1 7 . 1 1 135 135 SER CB C 135 63.812 63.812 62.882 0.930 19939 2650 1 7 . 1 1 135 135 SER H H 135 8.580 8.580 8.159 0.421 19939 2651 1 7 . 1 1 136 136 LEU N N 136 122.995 122.995 121.654 1.341 19939 2652 1 7 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.563 -0.107 19939 2653 1 7 . 1 1 136 136 LEU C C 136 175.105 175.105 174.740 0.365 19939 2654 1 7 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.157 -0.636 19939 2655 1 7 . 1 1 136 136 LEU CB C 136 44.476 44.476 45.509 -1.033 19939 2656 1 7 . 1 1 136 136 LEU H H 136 8.048 8.048 7.451 0.597 19939 2657 1 7 . 1 1 137 137 LYS N N 137 121.086 121.086 124.389 -3.303 19939 2658 1 7 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.457 -0.391 19939 2659 1 7 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.073 1.128 19939 2660 1 7 . 1 1 137 137 LYS H H 137 8.786 8.786 8.386 0.400 19939 2661 1 7 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.480 -0.524 19939 2662 1 7 . 1 1 138 138 PRO C C 138 177.652 177.652 177.233 0.419 19939 2663 1 7 . 1 1 138 138 PRO CA C 138 66.037 66.037 64.963 1.074 19939 2664 1 7 . 1 1 138 138 PRO CB C 138 31.469 31.469 32.061 -0.592 19939 2665 1 7 . 1 1 139 139 GLU N N 139 113.380 113.380 116.321 -2.941 19939 2666 1 7 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.864 0.281 19939 2667 1 7 . 1 1 139 139 GLU C C 139 176.688 176.688 176.503 0.185 19939 2668 1 7 . 1 1 139 139 GLU CA C 139 58.771 58.771 56.652 2.119 19939 2669 1 7 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.797 -0.263 19939 2670 1 7 . 1 1 139 139 GLU H H 139 8.889 8.889 8.219 0.670 19939 2671 1 7 . 1 1 140 140 ASP N N 140 119.519 119.519 117.719 1.800 19939 2672 1 7 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.379 -0.075 19939 2673 1 7 . 1 1 140 140 ASP C C 140 174.537 174.537 176.114 -1.577 19939 2674 1 7 . 1 1 140 140 ASP CA C 140 55.908 55.908 54.879 1.029 19939 2675 1 7 . 1 1 140 140 ASP CB C 140 40.873 40.873 40.930 -0.057 19939 2676 1 7 . 1 1 140 140 ASP H H 140 8.027 8.027 7.680 0.347 19939 2677 1 7 . 1 1 141 141 PHE N N 141 118.825 118.825 118.143 0.682 19939 2678 1 7 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.328 -0.461 19939 2679 1 7 . 1 1 141 141 PHE C C 141 173.522 173.522 174.207 -0.685 19939 2680 1 7 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.244 1.024 19939 2681 1 7 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.518 -0.039 19939 2682 1 7 . 1 1 141 141 PHE H H 141 7.539 7.539 6.874 0.665 19939 2683 1 7 . 1 1 142 142 ASP N N 142 122.733 122.733 124.354 -1.621 19939 2684 1 7 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.592 0.290 19939 2685 1 7 . 1 1 142 142 ASP C C 142 176.424 176.424 175.781 0.643 19939 2686 1 7 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.613 1.010 19939 2687 1 7 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.483 -0.800 19939 2688 1 7 . 1 1 142 142 ASP H H 142 8.546 8.546 8.443 0.103 19939 2689 1 7 . 1 1 143 143 PHE N N 143 127.545 127.545 122.451 5.094 19939 2690 1 7 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.620 -0.112 19939 2691 1 7 . 1 1 143 143 PHE C C 143 174.878 174.878 175.408 -0.530 19939 2692 1 7 . 1 1 143 143 PHE CA C 143 59.002 59.002 59.313 -0.311 19939 2693 1 7 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.003 0.501 19939 2694 1 7 . 1 1 143 143 PHE H H 143 9.406 9.406 8.432 0.974 19939 2695 1 7 . 1 1 144 144 THR N N 144 114.719 114.719 114.254 0.465 19939 2696 1 7 . 1 1 144 144 THR HA H 144 4.581 4.581 3.641 0.940 19939 2697 1 7 . 1 1 144 144 THR CA C 144 62.519 62.519 62.258 0.261 19939 2698 1 7 . 1 1 144 144 THR CB C 144 70.241 70.241 69.073 1.167 19939 2699 1 7 . 1 1 144 144 THR H H 144 8.360 8.360 6.477 1.883 19939 2700 1 7 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.137 -0.145 19939 2701 1 7 . 1 1 145 145 VAL C C 145 176.097 176.097 174.331 1.766 19939 2702 1 7 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.347 0.395 19939 2703 1 7 . 1 1 145 145 VAL CB C 145 32.515 32.515 30.927 1.588 19939 2704 1 7 . 1 1 145 145 VAL H H 145 8.856 8.856 8.405 0.451 19939 2705 1 7 . 1 1 146 146 LEU N N 146 124.454 124.454 122.193 2.261 19939 2706 1 7 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.581 -0.215 19939 2707 1 7 . 1 1 146 146 LEU C C 146 176.924 176.924 174.912 2.012 19939 2708 1 7 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.236 0.727 19939 2709 1 7 . 1 1 146 146 LEU CB C 146 42.438 42.438 44.133 -1.695 19939 2710 1 7 . 1 1 146 146 LEU H H 146 8.082 8.082 7.480 0.602 19939 2711 1 7 . 1 1 147 147 SER N N 147 117.581 117.581 114.795 2.786 19939 2712 1 7 . 1 1 147 147 SER HA H 147 4.589 4.589 4.429 0.160 19939 2713 1 7 . 1 1 147 147 SER C C 147 173.419 173.419 174.284 -0.865 19939 2714 1 7 . 1 1 147 147 SER CA C 147 58.281 58.281 58.200 0.081 19939 2715 1 7 . 1 1 147 147 SER CB C 147 63.886 63.886 63.556 0.330 19939 2716 1 7 . 1 1 147 147 SER H H 147 8.216 8.216 8.110 0.106 19939 2717 1 8 . 1 1 79 79 SER C C 79 174.960 174.960 175.271 -0.311 19939 2718 1 8 . 1 1 79 79 SER CA C 79 58.539 58.539 58.297 0.242 19939 2719 1 8 . 1 1 79 79 SER CB C 79 64.005 64.005 64.212 -0.207 19939 2720 1 8 . 1 1 80 80 THR N N 80 115.664 115.664 116.000 -0.336 19939 2721 1 8 . 1 1 80 80 THR HA H 80 4.389 4.389 4.461 -0.072 19939 2722 1 8 . 1 1 80 80 THR C C 80 174.574 174.574 173.543 1.031 19939 2723 1 8 . 1 1 80 80 THR CA C 80 62.123 62.123 62.222 -0.099 19939 2724 1 8 . 1 1 80 80 THR CB C 80 69.660 69.660 69.419 0.241 19939 2725 1 8 . 1 1 80 80 THR H H 80 8.340 8.340 8.036 0.304 19939 2726 1 8 . 1 1 81 81 GLU N N 81 123.120 123.120 121.139 1.981 19939 2727 1 8 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.253 0.062 19939 2728 1 8 . 1 1 81 81 GLU C C 81 176.123 176.123 175.715 0.408 19939 2729 1 8 . 1 1 81 81 GLU CA C 81 56.672 56.672 57.283 -0.611 19939 2730 1 8 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.539 -0.279 19939 2731 1 8 . 1 1 81 81 GLU H H 81 8.434 8.434 8.049 0.385 19939 2732 1 8 . 1 1 82 82 CYS N N 82 120.924 120.924 124.065 -3.141 19939 2733 1 8 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.511 -0.026 19939 2734 1 8 . 1 1 82 82 CYS C C 82 174.341 174.341 172.969 1.372 19939 2735 1 8 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.833 0.623 19939 2736 1 8 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.872 -0.883 19939 2737 1 8 . 1 1 82 82 CYS H H 82 8.392 8.392 8.725 -0.333 19939 2738 1 8 . 1 1 83 83 ARG N N 83 124.156 124.156 122.306 1.850 19939 2739 1 8 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.260 0.107 19939 2740 1 8 . 1 1 83 83 ARG C C 83 176.140 176.140 176.684 -0.544 19939 2741 1 8 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.824 -0.556 19939 2742 1 8 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.294 0.567 19939 2743 1 8 . 1 1 83 83 ARG H H 83 8.478 8.478 7.884 0.594 19939 2744 1 8 . 1 1 84 84 LYS N N 84 122.766 122.766 120.879 1.887 19939 2745 1 8 . 1 1 84 84 LYS C C 84 176.555 176.555 175.758 0.797 19939 2746 1 8 . 1 1 84 84 LYS CA C 84 55.975 55.975 58.023 -2.049 19939 2747 1 8 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.872 1.462 19939 2748 1 8 . 1 1 84 84 LYS H H 84 8.413 8.413 8.798 -0.385 19939 2749 1 8 . 1 1 85 85 SER N N 85 118.305 118.305 110.963 7.342 19939 2750 1 8 . 1 1 85 85 SER HA H 85 4.408 4.408 4.662 -0.254 19939 2751 1 8 . 1 1 85 85 SER C C 85 173.669 173.669 174.404 -0.735 19939 2752 1 8 . 1 1 85 85 SER CA C 85 58.288 58.288 59.398 -1.110 19939 2753 1 8 . 1 1 85 85 SER CB C 85 63.932 63.932 66.391 -2.459 19939 2754 1 8 . 1 1 85 85 SER H H 85 8.440 8.440 7.807 0.633 19939 2755 1 8 . 1 1 86 86 VAL N N 86 123.628 123.628 124.866 -1.238 19939 2756 1 8 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.433 -0.148 19939 2757 1 8 . 1 1 86 86 VAL CA C 86 60.169 60.169 60.130 0.039 19939 2758 1 8 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.220 1.160 19939 2759 1 8 . 1 1 86 86 VAL H H 86 8.279 8.279 7.831 0.448 19939 2760 1 8 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.438 -0.237 19939 2761 1 8 . 1 1 87 87 PRO C C 87 175.673 175.673 176.694 -1.021 19939 2762 1 8 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.959 0.663 19939 2763 1 8 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.361 -0.321 19939 2764 1 8 . 1 1 88 88 CYS N N 88 120.983 120.983 122.594 -1.611 19939 2765 1 8 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.241 0.003 19939 2766 1 8 . 1 1 88 88 CYS C C 88 176.345 176.345 175.932 0.413 19939 2767 1 8 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.530 0.632 19939 2768 1 8 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.452 -1.532 19939 2769 1 8 . 1 1 88 88 CYS H H 88 8.393 8.393 8.365 0.028 19939 2770 1 8 . 1 1 89 89 GLY N N 89 115.997 115.997 116.667 -0.670 19939 2771 1 8 . 1 1 89 89 GLY C C 89 174.168 174.168 173.194 0.974 19939 2772 1 8 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.073 0.377 19939 2773 1 8 . 1 1 89 89 GLY H H 89 9.011 9.011 8.770 0.241 19939 2774 1 8 . 1 1 90 90 TRP N N 90 121.603 121.603 120.170 1.433 19939 2775 1 8 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.370 -0.398 19939 2776 1 8 . 1 1 90 90 TRP C C 90 175.327 175.327 175.932 -0.605 19939 2777 1 8 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.249 1.220 19939 2778 1 8 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.984 -2.479 19939 2779 1 8 . 1 1 90 90 TRP H H 90 8.406 8.406 7.398 1.008 19939 2780 1 8 . 1 1 91 91 GLU N N 91 119.691 119.691 119.260 0.431 19939 2781 1 8 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.882 -0.031 19939 2782 1 8 . 1 1 91 91 GLU C C 91 174.309 174.309 175.528 -1.219 19939 2783 1 8 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.152 -0.087 19939 2784 1 8 . 1 1 91 91 GLU CB C 91 33.413 33.413 34.462 -1.049 19939 2785 1 8 . 1 1 91 91 GLU H H 91 8.963 8.963 8.588 0.375 19939 2786 1 8 . 1 1 92 92 ARG N N 92 126.749 126.749 121.849 4.900 19939 2787 1 8 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.123 -0.688 19939 2788 1 8 . 1 1 92 92 ARG C C 92 174.635 174.635 175.192 -0.557 19939 2789 1 8 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.137 -0.306 19939 2790 1 8 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.805 0.348 19939 2791 1 8 . 1 1 92 92 ARG H H 92 8.944 8.944 8.545 0.399 19939 2792 1 8 . 1 1 93 93 VAL N N 93 130.450 130.450 123.366 7.084 19939 2793 1 8 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.332 -0.203 19939 2794 1 8 . 1 1 93 93 VAL C C 93 173.391 173.391 173.869 -0.478 19939 2795 1 8 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.669 0.885 19939 2796 1 8 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.447 -1.121 19939 2797 1 8 . 1 1 93 93 VAL H H 93 9.096 9.096 8.514 0.582 19939 2798 1 8 . 1 1 94 94 VAL N N 94 125.534 125.534 120.401 5.133 19939 2799 1 8 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.985 -0.330 19939 2800 1 8 . 1 1 94 94 VAL C C 94 175.830 175.830 174.532 1.298 19939 2801 1 8 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.787 1.508 19939 2802 1 8 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.611 -0.547 19939 2803 1 8 . 1 1 94 94 VAL H H 94 8.341 8.341 8.241 0.100 19939 2804 1 8 . 1 1 95 95 LYS N N 95 128.357 128.357 127.495 0.862 19939 2805 1 8 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.749 0.135 19939 2806 1 8 . 1 1 95 95 LYS C C 95 175.169 175.169 174.834 0.335 19939 2807 1 8 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.125 -0.389 19939 2808 1 8 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.780 0.410 19939 2809 1 8 . 1 1 95 95 LYS H H 95 9.158 9.158 9.044 0.114 19939 2810 1 8 . 1 1 96 96 GLN N N 96 128.341 128.341 125.396 2.945 19939 2811 1 8 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.465 0.005 19939 2812 1 8 . 1 1 96 96 GLN C C 96 175.665 175.665 175.690 -0.025 19939 2813 1 8 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.821 -0.014 19939 2814 1 8 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.443 -0.324 19939 2815 1 8 . 1 1 96 96 GLN H H 96 8.943 8.943 8.555 0.388 19939 2816 1 8 . 1 1 97 97 ARG N N 97 127.147 127.147 126.733 0.414 19939 2817 1 8 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.388 0.051 19939 2818 1 8 . 1 1 97 97 ARG C C 97 178.214 178.214 176.433 1.781 19939 2819 1 8 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.347 2.372 19939 2820 1 8 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.514 -0.189 19939 2821 1 8 . 1 1 97 97 ARG H H 97 9.117 9.117 8.610 0.507 19939 2822 1 8 . 1 1 98 98 LEU N N 98 125.934 125.934 121.062 4.872 19939 2823 1 8 . 1 1 98 98 LEU HA H 98 4.342 4.342 3.577 0.765 19939 2824 1 8 . 1 1 98 98 LEU C C 98 176.647 176.647 176.808 -0.161 19939 2825 1 8 . 1 1 98 98 LEU CA C 98 55.683 55.683 56.655 -0.972 19939 2826 1 8 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.773 2.290 19939 2827 1 8 . 1 1 98 98 LEU H H 98 9.054 9.054 8.269 0.785 19939 2828 1 8 . 1 1 99 99 PHE N N 99 119.325 119.325 115.135 4.190 19939 2829 1 8 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.670 0.281 19939 2830 1 8 . 1 1 99 99 PHE C C 99 173.854 173.854 175.394 -1.540 19939 2831 1 8 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.642 -0.938 19939 2832 1 8 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.983 1.772 19939 2833 1 8 . 1 1 99 99 PHE H H 99 8.245 8.245 7.881 0.364 19939 2834 1 8 . 1 1 100 100 GLY N N 100 104.714 104.714 109.335 -4.621 19939 2835 1 8 . 1 1 100 100 GLY C C 100 176.173 176.173 174.134 2.039 19939 2836 1 8 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.471 -1.347 19939 2837 1 8 . 1 1 100 100 GLY H H 100 8.111 8.111 7.809 0.302 19939 2838 1 8 . 1 1 101 101 LYS N N 101 122.597 122.597 120.855 1.742 19939 2839 1 8 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.321 -0.209 19939 2840 1 8 . 1 1 101 101 LYS C C 101 179.615 179.615 176.458 3.157 19939 2841 1 8 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.218 2.452 19939 2842 1 8 . 1 1 101 101 LYS CB C 101 32.774 32.774 33.023 -0.249 19939 2843 1 8 . 1 1 101 101 LYS H H 101 9.134 9.134 8.367 0.767 19939 2844 1 8 . 1 1 102 102 THR N N 102 108.650 108.650 109.467 -0.817 19939 2845 1 8 . 1 1 102 102 THR HA H 102 4.339 4.339 4.406 -0.067 19939 2846 1 8 . 1 1 102 102 THR C C 102 172.966 172.966 173.391 -0.425 19939 2847 1 8 . 1 1 102 102 THR CA C 102 61.304 61.304 61.003 0.301 19939 2848 1 8 . 1 1 102 102 THR CB C 102 68.948 68.948 69.543 -0.595 19939 2849 1 8 . 1 1 102 102 THR H H 102 8.982 8.982 7.474 1.508 19939 2850 1 8 . 1 1 103 103 ALA N N 103 123.171 123.171 124.163 -0.992 19939 2851 1 8 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.127 -0.760 19939 2852 1 8 . 1 1 103 103 ALA C C 103 178.082 178.082 178.786 -0.704 19939 2853 1 8 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.809 0.306 19939 2854 1 8 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.437 -0.496 19939 2855 1 8 . 1 1 103 103 ALA H H 103 6.932 6.932 7.741 -0.809 19939 2856 1 8 . 1 1 104 104 GLY N N 104 111.443 111.443 109.965 1.478 19939 2857 1 8 . 1 1 104 104 GLY C C 104 175.274 175.274 174.513 0.761 19939 2858 1 8 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.680 -0.196 19939 2859 1 8 . 1 1 104 104 GLY H H 104 8.545 8.545 8.604 -0.059 19939 2860 1 8 . 1 1 105 105 ARG N N 105 119.647 119.647 121.744 -2.097 19939 2861 1 8 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.261 0.156 19939 2862 1 8 . 1 1 105 105 ARG C C 105 174.184 174.184 174.939 -0.755 19939 2863 1 8 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.825 -0.082 19939 2864 1 8 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.176 -0.435 19939 2865 1 8 . 1 1 105 105 ARG H H 105 7.646 7.646 7.897 -0.251 19939 2866 1 8 . 1 1 106 106 PHE N N 106 117.619 117.619 120.798 -3.179 19939 2867 1 8 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.645 0.778 19939 2868 1 8 . 1 1 106 106 PHE C C 106 175.443 175.443 175.293 0.150 19939 2869 1 8 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.612 -0.424 19939 2870 1 8 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.069 1.459 19939 2871 1 8 . 1 1 106 106 PHE H H 106 8.745 8.745 8.337 0.408 19939 2872 1 8 . 1 1 107 107 ASP N N 107 119.340 119.340 124.910 -5.570 19939 2873 1 8 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.254 -0.076 19939 2874 1 8 . 1 1 107 107 ASP C C 107 173.615 173.615 174.492 -0.877 19939 2875 1 8 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.603 0.100 19939 2876 1 8 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.581 1.709 19939 2877 1 8 . 1 1 107 107 ASP H H 107 8.858 8.858 8.439 0.419 19939 2878 1 8 . 1 1 108 108 VAL N N 108 121.639 121.639 117.690 3.949 19939 2879 1 8 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.295 -0.382 19939 2880 1 8 . 1 1 108 108 VAL C C 108 174.762 174.762 173.987 0.775 19939 2881 1 8 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.944 0.888 19939 2882 1 8 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.599 -1.660 19939 2883 1 8 . 1 1 108 108 VAL H H 108 8.550 8.550 8.472 0.078 19939 2884 1 8 . 1 1 109 109 TYR N N 109 121.685 121.685 117.961 3.724 19939 2885 1 8 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.853 0.566 19939 2886 1 8 . 1 1 109 109 TYR C C 109 173.430 173.430 173.112 0.318 19939 2887 1 8 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.187 -0.727 19939 2888 1 8 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.009 2.032 19939 2889 1 8 . 1 1 109 109 TYR H H 109 8.894 8.894 8.315 0.579 19939 2890 1 8 . 1 1 110 110 PHE N N 110 117.355 117.355 116.238 1.117 19939 2891 1 8 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.727 0.118 19939 2892 1 8 . 1 1 110 110 PHE C C 110 175.425 175.425 174.883 0.542 19939 2893 1 8 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.762 1.935 19939 2894 1 8 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.615 2.503 19939 2895 1 8 . 1 1 110 110 PHE H H 110 8.898 8.898 7.231 1.667 19939 2896 1 8 . 1 1 111 111 ILE N N 111 121.807 121.807 120.710 1.097 19939 2897 1 8 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.058 0.172 19939 2898 1 8 . 1 1 111 111 ILE C C 111 176.355 176.355 175.843 0.512 19939 2899 1 8 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.033 -0.054 19939 2900 1 8 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.648 -0.747 19939 2901 1 8 . 1 1 111 111 ILE H H 111 9.660 9.660 8.711 0.949 19939 2902 1 8 . 1 1 112 112 SER N N 112 126.063 126.063 121.433 4.630 19939 2903 1 8 . 1 1 112 112 SER HA H 112 3.051 3.051 4.383 -1.332 19939 2904 1 8 . 1 1 112 112 SER CA C 112 56.697 56.697 56.278 0.419 19939 2905 1 8 . 1 1 112 112 SER CB C 112 63.153 63.153 63.679 -0.526 19939 2906 1 8 . 1 1 112 112 SER H H 112 9.416 9.416 8.446 0.970 19939 2907 1 8 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.153 0.106 19939 2908 1 8 . 1 1 113 113 PRO C C 113 177.214 177.214 177.546 -0.332 19939 2909 1 8 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.016 -0.102 19939 2910 1 8 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.841 -0.413 19939 2911 1 8 . 1 1 114 114 GLN N N 114 112.298 112.298 116.255 -3.957 19939 2912 1 8 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.168 0.215 19939 2913 1 8 . 1 1 114 114 GLN C C 114 175.990 175.990 176.882 -0.892 19939 2914 1 8 . 1 1 114 114 GLN CA C 114 55.814 55.814 56.082 -0.268 19939 2915 1 8 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.473 0.176 19939 2916 1 8 . 1 1 114 114 GLN H H 114 7.175 7.175 8.100 -0.925 19939 2917 1 8 . 1 1 115 115 GLY N N 115 108.911 108.911 105.860 3.051 19939 2918 1 8 . 1 1 115 115 GLY C C 115 174.162 174.162 173.451 0.711 19939 2919 1 8 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.127 0.192 19939 2920 1 8 . 1 1 115 115 GLY H H 115 8.150 8.150 7.897 0.253 19939 2921 1 8 . 1 1 116 116 LEU N N 116 121.038 121.038 120.939 0.099 19939 2922 1 8 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.149 0.033 19939 2923 1 8 . 1 1 116 116 LEU C C 116 175.187 175.187 175.637 -0.450 19939 2924 1 8 . 1 1 116 116 LEU CA C 116 54.772 54.772 53.784 0.988 19939 2925 1 8 . 1 1 116 116 LEU CB C 116 42.543 42.543 43.034 -0.491 19939 2926 1 8 . 1 1 116 116 LEU H H 116 7.166 7.166 7.591 -0.425 19939 2927 1 8 . 1 1 117 117 LYS N N 117 121.584 121.584 121.681 -0.097 19939 2928 1 8 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.557 0.712 19939 2929 1 8 . 1 1 117 117 LYS C C 117 175.984 175.984 175.280 0.704 19939 2930 1 8 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.874 -0.441 19939 2931 1 8 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.263 1.300 19939 2932 1 8 . 1 1 117 117 LYS H H 117 8.238 8.238 7.891 0.347 19939 2933 1 8 . 1 1 118 118 PHE N N 118 121.828 121.828 121.471 0.357 19939 2934 1 8 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.604 0.308 19939 2935 1 8 . 1 1 118 118 PHE C C 118 176.449 176.449 173.944 2.505 19939 2936 1 8 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.130 0.876 19939 2937 1 8 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.508 0.460 19939 2938 1 8 . 1 1 118 118 PHE H H 118 9.639 9.639 8.802 0.837 19939 2939 1 8 . 1 1 119 119 ARG N N 119 119.546 119.546 119.935 -0.389 19939 2940 1 8 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.050 1.061 19939 2941 1 8 . 1 1 119 119 ARG C C 119 174.704 174.704 174.842 -0.138 19939 2942 1 8 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.485 -0.314 19939 2943 1 8 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.976 -0.156 19939 2944 1 8 . 1 1 119 119 ARG H H 119 9.589 9.589 8.491 1.098 19939 2945 1 8 . 1 1 120 120 SER N N 120 110.737 110.737 115.756 -5.019 19939 2946 1 8 . 1 1 120 120 SER HA H 120 4.341 4.341 4.832 -0.491 19939 2947 1 8 . 1 1 120 120 SER C C 120 172.793 172.793 174.686 -1.893 19939 2948 1 8 . 1 1 120 120 SER CA C 120 56.032 56.032 57.352 -1.320 19939 2949 1 8 . 1 1 120 120 SER CB C 120 66.492 66.492 66.000 0.492 19939 2950 1 8 . 1 1 120 120 SER H H 120 7.625 7.625 7.825 -0.200 19939 2951 1 8 . 1 1 121 121 LYS N N 121 125.451 125.451 125.344 0.107 19939 2952 1 8 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.206 -0.572 19939 2953 1 8 . 1 1 121 121 LYS C C 121 178.826 178.826 178.253 0.573 19939 2954 1 8 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.846 -0.212 19939 2955 1 8 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.417 -1.263 19939 2956 1 8 . 1 1 121 121 LYS H H 121 8.816 8.816 9.130 -0.314 19939 2957 1 8 . 1 1 122 122 SER N N 122 115.374 115.374 114.662 0.712 19939 2958 1 8 . 1 1 122 122 SER HA H 122 4.136 4.136 4.295 -0.159 19939 2959 1 8 . 1 1 122 122 SER C C 122 177.427 177.427 176.612 0.815 19939 2960 1 8 . 1 1 122 122 SER CA C 122 61.492 61.492 61.003 0.489 19939 2961 1 8 . 1 1 122 122 SER CB C 122 62.342 62.342 62.641 -0.299 19939 2962 1 8 . 1 1 122 122 SER H H 122 8.834 8.834 8.330 0.504 19939 2963 1 8 . 1 1 123 123 SER N N 123 118.263 118.263 117.128 1.135 19939 2964 1 8 . 1 1 123 123 SER HA H 123 4.418 4.418 4.288 0.130 19939 2965 1 8 . 1 1 123 123 SER C C 123 178.017 178.017 176.632 1.385 19939 2966 1 8 . 1 1 123 123 SER CA C 123 61.540 61.540 61.192 0.348 19939 2967 1 8 . 1 1 123 123 SER CB C 123 62.967 62.967 62.995 -0.028 19939 2968 1 8 . 1 1 123 123 SER H H 123 8.043 8.043 8.114 -0.071 19939 2969 1 8 . 1 1 124 124 LEU N N 124 126.780 126.780 122.317 4.463 19939 2970 1 8 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.768 -0.120 19939 2971 1 8 . 1 1 124 124 LEU C C 124 177.987 177.987 177.954 0.033 19939 2972 1 8 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.860 0.403 19939 2973 1 8 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.626 0.675 19939 2974 1 8 . 1 1 124 124 LEU H H 124 7.686 7.686 7.792 -0.106 19939 2975 1 8 . 1 1 125 125 ALA N N 125 121.665 121.665 120.604 1.061 19939 2976 1 8 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.967 -0.277 19939 2977 1 8 . 1 1 125 125 ALA C C 125 180.032 180.032 179.665 0.367 19939 2978 1 8 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.217 0.470 19939 2979 1 8 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.377 -0.497 19939 2980 1 8 . 1 1 125 125 ALA H H 125 8.912 8.912 8.119 0.793 19939 2981 1 8 . 1 1 126 126 ASN N N 126 115.720 115.720 117.261 -1.541 19939 2982 1 8 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.633 -0.140 19939 2983 1 8 . 1 1 126 126 ASN C C 126 177.174 177.174 177.287 -0.113 19939 2984 1 8 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.816 0.555 19939 2985 1 8 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.603 -0.080 19939 2986 1 8 . 1 1 126 126 ASN H H 126 7.963 7.963 8.013 -0.050 19939 2987 1 8 . 1 1 127 127 TYR N N 127 121.605 121.605 123.294 -1.689 19939 2988 1 8 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.224 0.065 19939 2989 1 8 . 1 1 127 127 TYR C C 127 177.895 177.895 177.274 0.621 19939 2990 1 8 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.730 -0.154 19939 2991 1 8 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.253 0.798 19939 2992 1 8 . 1 1 127 127 TYR H H 127 7.746 7.746 8.627 -0.881 19939 2993 1 8 . 1 1 128 128 LEU N N 128 119.365 119.365 118.053 1.312 19939 2994 1 8 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.535 0.263 19939 2995 1 8 . 1 1 128 128 LEU C C 128 179.418 179.418 179.157 0.261 19939 2996 1 8 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.683 0.053 19939 2997 1 8 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.599 -0.706 19939 2998 1 8 . 1 1 128 128 LEU H H 128 8.600 8.600 8.492 0.108 19939 2999 1 8 . 1 1 129 129 HIS N N 129 115.982 115.982 117.651 -1.669 19939 3000 1 8 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.197 0.317 19939 3001 1 8 . 1 1 129 129 HIS C C 129 178.014 178.014 177.366 0.648 19939 3002 1 8 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.218 -1.141 19939 3003 1 8 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.759 -0.413 19939 3004 1 8 . 1 1 129 129 HIS H H 129 8.041 8.041 7.678 0.363 19939 3005 1 8 . 1 1 130 130 LYS N N 130 119.804 119.804 118.922 0.882 19939 3006 1 8 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.948 0.134 19939 3007 1 8 . 1 1 130 130 LYS C C 130 177.320 177.320 178.417 -1.097 19939 3008 1 8 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.749 -0.388 19939 3009 1 8 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.343 0.227 19939 3010 1 8 . 1 1 130 130 LYS H H 130 8.136 8.136 8.078 0.058 19939 3011 1 8 . 1 1 131 131 ASN N N 131 115.918 115.918 114.525 1.393 19939 3012 1 8 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.569 0.087 19939 3013 1 8 . 1 1 131 131 ASN C C 131 175.335 175.335 176.266 -0.931 19939 3014 1 8 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.438 0.152 19939 3015 1 8 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.714 0.566 19939 3016 1 8 . 1 1 131 131 ASN H H 131 7.663 7.663 7.725 -0.062 19939 3017 1 8 . 1 1 132 132 GLY N N 132 108.472 108.472 107.467 1.005 19939 3018 1 8 . 1 1 132 132 GLY C C 132 174.647 174.647 173.812 0.835 19939 3019 1 8 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.156 1.173 19939 3020 1 8 . 1 1 132 132 GLY H H 132 7.854 7.854 7.530 0.324 19939 3021 1 8 . 1 1 133 133 GLU N N 133 120.028 120.028 121.863 -1.835 19939 3022 1 8 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.384 -0.024 19939 3023 1 8 . 1 1 133 133 GLU C C 133 177.324 177.324 175.042 2.282 19939 3024 1 8 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.564 1.148 19939 3025 1 8 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.082 -0.193 19939 3026 1 8 . 1 1 133 133 GLU H H 133 8.142 8.142 7.690 0.452 19939 3027 1 8 . 1 1 134 134 THR N N 134 114.986 114.986 116.784 -1.798 19939 3028 1 8 . 1 1 134 134 THR HA H 134 4.362 4.362 4.571 -0.209 19939 3029 1 8 . 1 1 134 134 THR C C 134 174.926 174.926 175.507 -0.581 19939 3030 1 8 . 1 1 134 134 THR CA C 134 62.028 62.028 61.934 0.094 19939 3031 1 8 . 1 1 134 134 THR CB C 134 69.927 69.927 69.438 0.489 19939 3032 1 8 . 1 1 134 134 THR H H 134 8.363 8.363 8.132 0.231 19939 3033 1 8 . 1 1 135 135 SER N N 135 118.353 118.353 118.998 -0.645 19939 3034 1 8 . 1 1 135 135 SER HA H 135 4.530 4.530 4.247 0.283 19939 3035 1 8 . 1 1 135 135 SER C C 135 174.284 174.284 174.702 -0.418 19939 3036 1 8 . 1 1 135 135 SER CA C 135 59.506 59.506 61.135 -1.629 19939 3037 1 8 . 1 1 135 135 SER CB C 135 63.812 63.812 63.146 0.666 19939 3038 1 8 . 1 1 135 135 SER H H 135 8.580 8.580 8.380 0.200 19939 3039 1 8 . 1 1 136 136 LEU N N 136 122.995 122.995 121.375 1.620 19939 3040 1 8 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.351 0.105 19939 3041 1 8 . 1 1 136 136 LEU C C 136 175.105 175.105 176.184 -1.079 19939 3042 1 8 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.056 -0.535 19939 3043 1 8 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.436 2.040 19939 3044 1 8 . 1 1 136 136 LEU H H 136 8.048 8.048 7.821 0.227 19939 3045 1 8 . 1 1 137 137 LYS N N 137 121.086 121.086 122.107 -1.021 19939 3046 1 8 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.652 -0.586 19939 3047 1 8 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.804 0.397 19939 3048 1 8 . 1 1 137 137 LYS H H 137 8.786 8.786 9.026 -0.240 19939 3049 1 8 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.387 -0.431 19939 3050 1 8 . 1 1 138 138 PRO C C 138 177.652 177.652 177.958 -0.306 19939 3051 1 8 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.641 0.396 19939 3052 1 8 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.735 -0.266 19939 3053 1 8 . 1 1 139 139 GLU N N 139 113.380 113.380 115.223 -1.843 19939 3054 1 8 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.801 0.344 19939 3055 1 8 . 1 1 139 139 GLU C C 139 176.688 176.688 176.869 -0.181 19939 3056 1 8 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.578 1.192 19939 3057 1 8 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.155 0.379 19939 3058 1 8 . 1 1 139 139 GLU H H 139 8.889 8.889 8.480 0.409 19939 3059 1 8 . 1 1 140 140 ASP N N 140 119.519 119.519 118.412 1.107 19939 3060 1 8 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.241 0.063 19939 3061 1 8 . 1 1 140 140 ASP C C 140 174.537 174.537 175.896 -1.359 19939 3062 1 8 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.560 0.348 19939 3063 1 8 . 1 1 140 140 ASP CB C 140 40.873 40.873 40.847 0.026 19939 3064 1 8 . 1 1 140 140 ASP H H 140 8.027 8.027 8.187 -0.160 19939 3065 1 8 . 1 1 141 141 PHE N N 141 118.825 118.825 117.219 1.606 19939 3066 1 8 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.348 -0.480 19939 3067 1 8 . 1 1 141 141 PHE C C 141 173.522 173.522 174.221 -0.699 19939 3068 1 8 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.125 1.143 19939 3069 1 8 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.956 -0.477 19939 3070 1 8 . 1 1 141 141 PHE H H 141 7.539 7.539 6.824 0.715 19939 3071 1 8 . 1 1 142 142 ASP N N 142 122.733 122.733 123.374 -0.641 19939 3072 1 8 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.589 0.293 19939 3073 1 8 . 1 1 142 142 ASP C C 142 176.424 176.424 175.845 0.579 19939 3074 1 8 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.145 1.478 19939 3075 1 8 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.110 -0.427 19939 3076 1 8 . 1 1 142 142 ASP H H 142 8.546 8.546 8.351 0.195 19939 3077 1 8 . 1 1 143 143 PHE N N 143 127.545 127.545 123.137 4.408 19939 3078 1 8 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.657 -0.149 19939 3079 1 8 . 1 1 143 143 PHE C C 143 174.878 174.878 175.411 -0.533 19939 3080 1 8 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.793 0.209 19939 3081 1 8 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.124 0.380 19939 3082 1 8 . 1 1 143 143 PHE H H 143 9.406 9.406 8.631 0.775 19939 3083 1 8 . 1 1 144 144 THR N N 144 114.719 114.719 116.901 -2.182 19939 3084 1 8 . 1 1 144 144 THR HA H 144 4.581 4.581 3.880 0.701 19939 3085 1 8 . 1 1 144 144 THR CA C 144 62.519 62.519 62.422 0.097 19939 3086 1 8 . 1 1 144 144 THR CB C 144 70.241 70.241 69.488 0.753 19939 3087 1 8 . 1 1 144 144 THR H H 144 8.360 8.360 6.704 1.656 19939 3088 1 8 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.026 -0.034 19939 3089 1 8 . 1 1 145 145 VAL C C 145 176.097 176.097 175.628 0.469 19939 3090 1 8 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.947 -0.205 19939 3091 1 8 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.251 0.264 19939 3092 1 8 . 1 1 145 145 VAL H H 145 8.856 8.856 8.243 0.613 19939 3093 1 8 . 1 1 146 146 LEU N N 146 124.454 124.454 124.979 -0.525 19939 3094 1 8 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.469 -0.103 19939 3095 1 8 . 1 1 146 146 LEU C C 146 176.924 176.924 177.333 -0.409 19939 3096 1 8 . 1 1 146 146 LEU CA C 146 54.963 54.963 55.419 -0.456 19939 3097 1 8 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.626 -0.188 19939 3098 1 8 . 1 1 146 146 LEU H H 146 8.082 8.082 8.362 -0.280 19939 3099 1 8 . 1 1 147 147 SER N N 147 117.581 117.581 113.342 4.239 19939 3100 1 8 . 1 1 147 147 SER HA H 147 4.589 4.589 4.459 0.130 19939 3101 1 8 . 1 1 147 147 SER C C 147 173.419 173.419 173.427 -0.008 19939 3102 1 8 . 1 1 147 147 SER CA C 147 58.281 58.281 58.254 0.027 19939 3103 1 8 . 1 1 147 147 SER CB C 147 63.886 63.886 63.585 0.301 19939 3104 1 8 . 1 1 147 147 SER H H 147 8.216 8.216 7.721 0.495 19939 3105 1 9 . 1 1 79 79 SER C C 79 174.960 174.960 174.578 0.382 19939 3106 1 9 . 1 1 79 79 SER CA C 79 58.539 58.539 58.584 -0.044 19939 3107 1 9 . 1 1 79 79 SER CB C 79 64.005 64.005 64.430 -0.425 19939 3108 1 9 . 1 1 80 80 THR N N 80 115.664 115.664 118.565 -2.901 19939 3109 1 9 . 1 1 80 80 THR HA H 80 4.389 4.389 4.350 0.039 19939 3110 1 9 . 1 1 80 80 THR C C 80 174.574 174.574 174.639 -0.065 19939 3111 1 9 . 1 1 80 80 THR CA C 80 62.123 62.123 62.385 -0.262 19939 3112 1 9 . 1 1 80 80 THR CB C 80 69.660 69.660 69.308 0.352 19939 3113 1 9 . 1 1 80 80 THR H H 80 8.340 8.340 8.488 -0.148 19939 3114 1 9 . 1 1 81 81 GLU N N 81 123.120 123.120 121.633 1.487 19939 3115 1 9 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.337 -0.022 19939 3116 1 9 . 1 1 81 81 GLU C C 81 176.123 176.123 175.738 0.385 19939 3117 1 9 . 1 1 81 81 GLU CA C 81 56.672 56.672 57.078 -0.405 19939 3118 1 9 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.315 -0.055 19939 3119 1 9 . 1 1 81 81 GLU H H 81 8.434 8.434 7.797 0.637 19939 3120 1 9 . 1 1 82 82 CYS N N 82 120.924 120.924 122.849 -1.925 19939 3121 1 9 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.668 -0.183 19939 3122 1 9 . 1 1 82 82 CYS C C 82 174.341 174.341 174.191 0.150 19939 3123 1 9 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.704 -0.248 19939 3124 1 9 . 1 1 82 82 CYS CB C 82 27.989 27.989 27.362 0.627 19939 3125 1 9 . 1 1 82 82 CYS H H 82 8.392 8.392 8.511 -0.119 19939 3126 1 9 . 1 1 83 83 ARG N N 83 124.156 124.156 122.638 1.518 19939 3127 1 9 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.477 -0.110 19939 3128 1 9 . 1 1 83 83 ARG C C 83 176.140 176.140 175.661 0.479 19939 3129 1 9 . 1 1 83 83 ARG CA C 83 56.268 56.268 55.451 0.817 19939 3130 1 9 . 1 1 83 83 ARG CB C 83 30.862 30.862 29.388 1.474 19939 3131 1 9 . 1 1 83 83 ARG H H 83 8.478 8.478 8.117 0.361 19939 3132 1 9 . 1 1 84 84 LYS N N 84 122.766 122.766 122.695 0.071 19939 3133 1 9 . 1 1 84 84 LYS C C 84 176.555 176.555 175.342 1.213 19939 3134 1 9 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.129 -0.154 19939 3135 1 9 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.084 2.250 19939 3136 1 9 . 1 1 84 84 LYS H H 84 8.413 8.413 8.246 0.167 19939 3137 1 9 . 1 1 85 85 SER N N 85 118.305 118.305 116.443 1.862 19939 3138 1 9 . 1 1 85 85 SER HA H 85 4.408 4.408 4.484 -0.076 19939 3139 1 9 . 1 1 85 85 SER C C 85 173.669 173.669 174.125 -0.456 19939 3140 1 9 . 1 1 85 85 SER CA C 85 58.288 58.288 57.162 1.126 19939 3141 1 9 . 1 1 85 85 SER CB C 85 63.932 63.932 64.317 -0.385 19939 3142 1 9 . 1 1 85 85 SER H H 85 8.440 8.440 8.144 0.296 19939 3143 1 9 . 1 1 86 86 VAL N N 86 123.628 123.628 120.737 2.891 19939 3144 1 9 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.960 0.325 19939 3145 1 9 . 1 1 86 86 VAL CA C 86 60.169 60.169 62.264 -2.095 19939 3146 1 9 . 1 1 86 86 VAL CB C 86 33.380 33.380 30.022 3.358 19939 3147 1 9 . 1 1 86 86 VAL H H 86 8.279 8.279 8.558 -0.279 19939 3148 1 9 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.488 -0.287 19939 3149 1 9 . 1 1 87 87 PRO C C 87 175.673 175.673 176.988 -1.315 19939 3150 1 9 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.331 1.290 19939 3151 1 9 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.111 -0.071 19939 3152 1 9 . 1 1 88 88 CYS N N 88 120.983 120.983 119.289 1.694 19939 3153 1 9 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.246 -0.002 19939 3154 1 9 . 1 1 88 88 CYS C C 88 176.345 176.345 176.312 0.033 19939 3155 1 9 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.282 0.880 19939 3156 1 9 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.165 -1.245 19939 3157 1 9 . 1 1 88 88 CYS H H 88 8.393 8.393 8.363 0.030 19939 3158 1 9 . 1 1 89 89 GLY N N 89 115.997 115.997 111.986 4.011 19939 3159 1 9 . 1 1 89 89 GLY C C 89 174.168 174.168 173.078 1.090 19939 3160 1 9 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.493 -0.043 19939 3161 1 9 . 1 1 89 89 GLY H H 89 9.011 9.011 8.786 0.225 19939 3162 1 9 . 1 1 90 90 TRP N N 90 121.603 121.603 120.027 1.576 19939 3163 1 9 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.149 -0.177 19939 3164 1 9 . 1 1 90 90 TRP C C 90 175.327 175.327 176.264 -0.937 19939 3165 1 9 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.199 1.270 19939 3166 1 9 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.096 -1.591 19939 3167 1 9 . 1 1 90 90 TRP H H 90 8.406 8.406 7.658 0.748 19939 3168 1 9 . 1 1 91 91 GLU N N 91 119.691 119.691 120.963 -1.272 19939 3169 1 9 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.779 0.072 19939 3170 1 9 . 1 1 91 91 GLU C C 91 174.309 174.309 175.804 -1.495 19939 3171 1 9 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.863 0.202 19939 3172 1 9 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.962 0.451 19939 3173 1 9 . 1 1 91 91 GLU H H 91 8.963 8.963 8.472 0.491 19939 3174 1 9 . 1 1 92 92 ARG N N 92 126.749 126.749 121.536 5.213 19939 3175 1 9 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.284 0.151 19939 3176 1 9 . 1 1 92 92 ARG C C 92 174.635 174.635 175.012 -0.377 19939 3177 1 9 . 1 1 92 92 ARG CA C 92 54.831 54.831 54.965 -0.134 19939 3178 1 9 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.794 1.359 19939 3179 1 9 . 1 1 92 92 ARG H H 92 8.944 8.944 8.469 0.475 19939 3180 1 9 . 1 1 93 93 VAL N N 93 130.450 130.450 125.637 4.813 19939 3181 1 9 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.164 -0.035 19939 3182 1 9 . 1 1 93 93 VAL C C 93 173.391 173.391 173.656 -0.265 19939 3183 1 9 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.923 0.631 19939 3184 1 9 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.884 -0.558 19939 3185 1 9 . 1 1 93 93 VAL H H 93 9.096 9.096 7.958 1.138 19939 3186 1 9 . 1 1 94 94 VAL N N 94 125.534 125.534 121.909 3.625 19939 3187 1 9 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.928 -0.273 19939 3188 1 9 . 1 1 94 94 VAL C C 94 175.830 175.830 175.133 0.697 19939 3189 1 9 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.263 2.032 19939 3190 1 9 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.850 -0.786 19939 3191 1 9 . 1 1 94 94 VAL H H 94 8.341 8.341 8.130 0.211 19939 3192 1 9 . 1 1 95 95 LYS N N 95 128.357 128.357 125.959 2.398 19939 3193 1 9 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.718 0.166 19939 3194 1 9 . 1 1 95 95 LYS C C 95 175.169 175.169 175.044 0.125 19939 3195 1 9 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.745 -0.009 19939 3196 1 9 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.832 0.358 19939 3197 1 9 . 1 1 95 95 LYS H H 95 9.158 9.158 8.986 0.172 19939 3198 1 9 . 1 1 96 96 GLN N N 96 128.341 128.341 124.491 3.850 19939 3199 1 9 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.417 0.053 19939 3200 1 9 . 1 1 96 96 GLN C C 96 175.665 175.665 175.905 -0.240 19939 3201 1 9 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.831 -1.024 19939 3202 1 9 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.446 0.673 19939 3203 1 9 . 1 1 96 96 GLN H H 96 8.943 8.943 8.592 0.351 19939 3204 1 9 . 1 1 97 97 ARG N N 97 127.147 127.147 126.654 0.493 19939 3205 1 9 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.343 0.096 19939 3206 1 9 . 1 1 97 97 ARG C C 97 178.214 178.214 174.741 3.473 19939 3207 1 9 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.027 1.692 19939 3208 1 9 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.461 -1.136 19939 3209 1 9 . 1 1 97 97 ARG H H 97 9.117 9.117 8.164 0.953 19939 3210 1 9 . 1 1 98 98 LEU N N 98 125.934 125.934 126.858 -0.924 19939 3211 1 9 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.443 -0.101 19939 3212 1 9 . 1 1 98 98 LEU C C 98 176.647 176.647 175.386 1.261 19939 3213 1 9 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.318 1.365 19939 3214 1 9 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.164 2.899 19939 3215 1 9 . 1 1 98 98 LEU H H 98 9.054 9.054 8.351 0.703 19939 3216 1 9 . 1 1 99 99 PHE N N 99 119.325 119.325 123.412 -4.087 19939 3217 1 9 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.751 0.200 19939 3218 1 9 . 1 1 99 99 PHE C C 99 173.854 173.854 175.985 -2.131 19939 3219 1 9 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.951 -1.247 19939 3220 1 9 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.326 2.429 19939 3221 1 9 . 1 1 99 99 PHE H H 99 8.245 8.245 8.480 -0.235 19939 3222 1 9 . 1 1 100 100 GLY N N 100 104.714 104.714 107.085 -2.371 19939 3223 1 9 . 1 1 100 100 GLY C C 100 176.173 176.173 174.753 1.420 19939 3224 1 9 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.394 -1.270 19939 3225 1 9 . 1 1 100 100 GLY H H 100 8.111 8.111 8.168 -0.057 19939 3226 1 9 . 1 1 101 101 LYS N N 101 122.597 122.597 121.263 1.334 19939 3227 1 9 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.340 -0.228 19939 3228 1 9 . 1 1 101 101 LYS C C 101 179.615 179.615 177.261 2.354 19939 3229 1 9 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.514 2.156 19939 3230 1 9 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.494 0.280 19939 3231 1 9 . 1 1 101 101 LYS H H 101 9.134 9.134 8.417 0.717 19939 3232 1 9 . 1 1 102 102 THR N N 102 108.650 108.650 109.682 -1.032 19939 3233 1 9 . 1 1 102 102 THR HA H 102 4.339 4.339 4.389 -0.050 19939 3234 1 9 . 1 1 102 102 THR C C 102 172.966 172.966 174.421 -1.455 19939 3235 1 9 . 1 1 102 102 THR CA C 102 61.304 61.304 61.271 0.033 19939 3236 1 9 . 1 1 102 102 THR CB C 102 68.948 68.948 69.367 -0.419 19939 3237 1 9 . 1 1 102 102 THR H H 102 8.982 8.982 7.703 1.279 19939 3238 1 9 . 1 1 103 103 ALA N N 103 123.171 123.171 125.398 -2.227 19939 3239 1 9 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.136 -0.769 19939 3240 1 9 . 1 1 103 103 ALA C C 103 178.082 178.082 178.093 -0.011 19939 3241 1 9 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.560 0.555 19939 3242 1 9 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.673 -0.732 19939 3243 1 9 . 1 1 103 103 ALA H H 103 6.932 6.932 7.962 -1.030 19939 3244 1 9 . 1 1 104 104 GLY N N 104 111.443 111.443 110.872 0.571 19939 3245 1 9 . 1 1 104 104 GLY C C 104 175.274 175.274 174.067 1.207 19939 3246 1 9 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.526 -0.042 19939 3247 1 9 . 1 1 104 104 GLY H H 104 8.545 8.545 8.235 0.310 19939 3248 1 9 . 1 1 105 105 ARG N N 105 119.647 119.647 121.147 -1.500 19939 3249 1 9 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.469 -0.052 19939 3250 1 9 . 1 1 105 105 ARG C C 105 174.184 174.184 175.031 -0.847 19939 3251 1 9 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.332 1.412 19939 3252 1 9 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.112 -0.371 19939 3253 1 9 . 1 1 105 105 ARG H H 105 7.646 7.646 7.502 0.144 19939 3254 1 9 . 1 1 106 106 PHE N N 106 117.619 117.619 120.585 -2.966 19939 3255 1 9 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.631 0.792 19939 3256 1 9 . 1 1 106 106 PHE C C 106 175.443 175.443 175.610 -0.167 19939 3257 1 9 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.680 -0.492 19939 3258 1 9 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.252 1.276 19939 3259 1 9 . 1 1 106 106 PHE H H 106 8.745 8.745 8.596 0.149 19939 3260 1 9 . 1 1 107 107 ASP N N 107 119.340 119.340 124.849 -5.509 19939 3261 1 9 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.264 -0.086 19939 3262 1 9 . 1 1 107 107 ASP C C 107 173.615 173.615 174.537 -0.922 19939 3263 1 9 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.819 -0.116 19939 3264 1 9 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.468 1.822 19939 3265 1 9 . 1 1 107 107 ASP H H 107 8.858 8.858 8.584 0.274 19939 3266 1 9 . 1 1 108 108 VAL N N 108 121.639 121.639 118.517 3.122 19939 3267 1 9 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.141 -0.228 19939 3268 1 9 . 1 1 108 108 VAL C C 108 174.762 174.762 174.014 0.748 19939 3269 1 9 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.955 0.878 19939 3270 1 9 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.236 -1.297 19939 3271 1 9 . 1 1 108 108 VAL H H 108 8.550 8.550 8.528 0.022 19939 3272 1 9 . 1 1 109 109 TYR N N 109 121.685 121.685 118.153 3.532 19939 3273 1 9 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.089 0.330 19939 3274 1 9 . 1 1 109 109 TYR C C 109 173.430 173.430 173.250 0.180 19939 3275 1 9 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.023 -0.562 19939 3276 1 9 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.106 1.935 19939 3277 1 9 . 1 1 109 109 TYR H H 109 8.894 8.894 7.734 1.160 19939 3278 1 9 . 1 1 110 110 PHE N N 110 117.355 117.355 119.023 -1.668 19939 3279 1 9 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.418 0.427 19939 3280 1 9 . 1 1 110 110 PHE C C 110 175.425 175.425 175.666 -0.241 19939 3281 1 9 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.428 0.269 19939 3282 1 9 . 1 1 110 110 PHE CB C 110 44.118 44.118 42.226 1.892 19939 3283 1 9 . 1 1 110 110 PHE H H 110 8.898 8.898 8.285 0.613 19939 3284 1 9 . 1 1 111 111 ILE N N 111 121.807 121.807 122.637 -0.830 19939 3285 1 9 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.078 0.152 19939 3286 1 9 . 1 1 111 111 ILE C C 111 176.355 176.355 175.683 0.672 19939 3287 1 9 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.981 -0.002 19939 3288 1 9 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.411 -0.510 19939 3289 1 9 . 1 1 111 111 ILE H H 111 9.660 9.660 8.197 1.463 19939 3290 1 9 . 1 1 112 112 SER N N 112 126.063 126.063 123.423 2.640 19939 3291 1 9 . 1 1 112 112 SER HA H 112 3.051 3.051 4.459 -1.408 19939 3292 1 9 . 1 1 112 112 SER CA C 112 56.697 56.697 56.248 0.449 19939 3293 1 9 . 1 1 112 112 SER CB C 112 63.153 63.153 63.280 -0.127 19939 3294 1 9 . 1 1 112 112 SER H H 112 9.416 9.416 7.959 1.457 19939 3295 1 9 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.210 0.049 19939 3296 1 9 . 1 1 113 113 PRO C C 113 177.214 177.214 177.473 -0.259 19939 3297 1 9 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.790 0.124 19939 3298 1 9 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.537 -0.109 19939 3299 1 9 . 1 1 114 114 GLN N N 114 112.298 112.298 115.181 -2.883 19939 3300 1 9 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.245 0.138 19939 3301 1 9 . 1 1 114 114 GLN C C 114 175.990 175.990 177.222 -1.232 19939 3302 1 9 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.965 -0.151 19939 3303 1 9 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.849 -0.201 19939 3304 1 9 . 1 1 114 114 GLN H H 114 7.175 7.175 7.942 -0.767 19939 3305 1 9 . 1 1 115 115 GLY N N 115 108.911 108.911 106.822 2.089 19939 3306 1 9 . 1 1 115 115 GLY C C 115 174.162 174.162 173.665 0.497 19939 3307 1 9 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.008 0.311 19939 3308 1 9 . 1 1 115 115 GLY H H 115 8.150 8.150 8.008 0.142 19939 3309 1 9 . 1 1 116 116 LEU N N 116 121.038 121.038 121.615 -0.577 19939 3310 1 9 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.191 -0.009 19939 3311 1 9 . 1 1 116 116 LEU C C 116 175.187 175.187 175.855 -0.668 19939 3312 1 9 . 1 1 116 116 LEU CA C 116 54.772 54.772 53.913 0.859 19939 3313 1 9 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.545 -0.002 19939 3314 1 9 . 1 1 116 116 LEU H H 116 7.166 7.166 7.740 -0.574 19939 3315 1 9 . 1 1 117 117 LYS N N 117 121.584 121.584 121.657 -0.073 19939 3316 1 9 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.293 0.976 19939 3317 1 9 . 1 1 117 117 LYS C C 117 175.984 175.984 175.449 0.535 19939 3318 1 9 . 1 1 117 117 LYS CA C 117 55.433 55.433 56.084 -0.651 19939 3319 1 9 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.219 1.344 19939 3320 1 9 . 1 1 117 117 LYS H H 117 8.238 8.238 8.056 0.182 19939 3321 1 9 . 1 1 118 118 PHE N N 118 121.828 121.828 122.291 -0.463 19939 3322 1 9 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.730 0.182 19939 3323 1 9 . 1 1 118 118 PHE C C 118 176.449 176.449 175.219 1.230 19939 3324 1 9 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.503 0.503 19939 3325 1 9 . 1 1 118 118 PHE CB C 118 42.968 42.968 41.871 1.097 19939 3326 1 9 . 1 1 118 118 PHE H H 118 9.639 9.639 8.185 1.454 19939 3327 1 9 . 1 1 119 119 ARG N N 119 119.546 119.546 122.691 -3.145 19939 3328 1 9 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.642 0.469 19939 3329 1 9 . 1 1 119 119 ARG C C 119 174.704 174.704 175.119 -0.415 19939 3330 1 9 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.921 -0.750 19939 3331 1 9 . 1 1 119 119 ARG CB C 119 31.820 31.820 32.595 -0.775 19939 3332 1 9 . 1 1 119 119 ARG H H 119 9.589 9.589 8.792 0.797 19939 3333 1 9 . 1 1 120 120 SER N N 120 110.737 110.737 114.885 -4.148 19939 3334 1 9 . 1 1 120 120 SER HA H 120 4.341 4.341 4.945 -0.604 19939 3335 1 9 . 1 1 120 120 SER C C 120 172.793 172.793 174.279 -1.486 19939 3336 1 9 . 1 1 120 120 SER CA C 120 56.032 56.032 57.570 -1.538 19939 3337 1 9 . 1 1 120 120 SER CB C 120 66.492 66.492 65.814 0.678 19939 3338 1 9 . 1 1 120 120 SER H H 120 7.625 7.625 7.819 -0.194 19939 3339 1 9 . 1 1 121 121 LYS N N 121 125.451 125.451 125.576 -0.125 19939 3340 1 9 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.210 -0.576 19939 3341 1 9 . 1 1 121 121 LYS C C 121 178.826 178.826 178.257 0.569 19939 3342 1 9 . 1 1 121 121 LYS CA C 121 59.635 59.635 60.164 -0.529 19939 3343 1 9 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.455 -1.301 19939 3344 1 9 . 1 1 121 121 LYS H H 121 8.816 8.816 9.108 -0.292 19939 3345 1 9 . 1 1 122 122 SER N N 122 115.374 115.374 115.503 -0.129 19939 3346 1 9 . 1 1 122 122 SER HA H 122 4.136 4.136 4.316 -0.180 19939 3347 1 9 . 1 1 122 122 SER C C 122 177.427 177.427 176.467 0.960 19939 3348 1 9 . 1 1 122 122 SER CA C 122 61.492 61.492 61.813 -0.321 19939 3349 1 9 . 1 1 122 122 SER CB C 122 62.342 62.342 62.368 -0.026 19939 3350 1 9 . 1 1 122 122 SER H H 122 8.834 8.834 8.505 0.329 19939 3351 1 9 . 1 1 123 123 SER N N 123 118.263 118.263 117.042 1.221 19939 3352 1 9 . 1 1 123 123 SER HA H 123 4.418 4.418 4.397 0.021 19939 3353 1 9 . 1 1 123 123 SER C C 123 178.017 178.017 176.700 1.317 19939 3354 1 9 . 1 1 123 123 SER CA C 123 61.540 61.540 61.358 0.182 19939 3355 1 9 . 1 1 123 123 SER CB C 123 62.967 62.967 62.872 0.095 19939 3356 1 9 . 1 1 123 123 SER H H 123 8.043 8.043 8.134 -0.091 19939 3357 1 9 . 1 1 124 124 LEU N N 124 126.780 126.780 122.609 4.171 19939 3358 1 9 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.583 0.065 19939 3359 1 9 . 1 1 124 124 LEU C C 124 177.987 177.987 178.038 -0.051 19939 3360 1 9 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.611 0.652 19939 3361 1 9 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.328 0.973 19939 3362 1 9 . 1 1 124 124 LEU H H 124 7.686 7.686 7.897 -0.211 19939 3363 1 9 . 1 1 125 125 ALA N N 125 121.665 121.665 120.645 1.020 19939 3364 1 9 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.920 -0.230 19939 3365 1 9 . 1 1 125 125 ALA C C 125 180.032 180.032 179.420 0.612 19939 3366 1 9 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.424 0.263 19939 3367 1 9 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.146 -0.266 19939 3368 1 9 . 1 1 125 125 ALA H H 125 8.912 8.912 8.763 0.149 19939 3369 1 9 . 1 1 126 126 ASN N N 126 115.720 115.720 118.211 -2.491 19939 3370 1 9 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.587 -0.094 19939 3371 1 9 . 1 1 126 126 ASN C C 126 177.174 177.174 177.181 -0.007 19939 3372 1 9 . 1 1 126 126 ASN CA C 126 56.371 56.371 56.249 0.122 19939 3373 1 9 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.879 -0.356 19939 3374 1 9 . 1 1 126 126 ASN H H 126 7.963 7.963 8.285 -0.322 19939 3375 1 9 . 1 1 127 127 TYR N N 127 121.605 121.605 122.395 -0.790 19939 3376 1 9 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.264 0.025 19939 3377 1 9 . 1 1 127 127 TYR C C 127 177.895 177.895 177.844 0.051 19939 3378 1 9 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.708 -0.132 19939 3379 1 9 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.494 0.557 19939 3380 1 9 . 1 1 127 127 TYR H H 127 7.746 7.746 8.334 -0.588 19939 3381 1 9 . 1 1 128 128 LEU N N 128 119.365 119.365 118.894 0.471 19939 3382 1 9 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.387 0.411 19939 3383 1 9 . 1 1 128 128 LEU C C 128 179.418 179.418 178.860 0.558 19939 3384 1 9 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.907 -0.171 19939 3385 1 9 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.615 -0.722 19939 3386 1 9 . 1 1 128 128 LEU H H 128 8.600 8.600 8.362 0.238 19939 3387 1 9 . 1 1 129 129 HIS N N 129 115.982 115.982 117.231 -1.249 19939 3388 1 9 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.165 0.349 19939 3389 1 9 . 1 1 129 129 HIS C C 129 178.014 178.014 177.566 0.448 19939 3390 1 9 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.258 -1.180 19939 3391 1 9 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.803 -0.457 19939 3392 1 9 . 1 1 129 129 HIS H H 129 8.041 8.041 7.858 0.183 19939 3393 1 9 . 1 1 130 130 LYS N N 130 119.804 119.804 118.890 0.914 19939 3394 1 9 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.963 0.119 19939 3395 1 9 . 1 1 130 130 LYS C C 130 177.320 177.320 178.433 -1.113 19939 3396 1 9 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.533 -0.172 19939 3397 1 9 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.434 0.136 19939 3398 1 9 . 1 1 130 130 LYS H H 130 8.136 8.136 8.065 0.071 19939 3399 1 9 . 1 1 131 131 ASN N N 131 115.918 115.918 116.091 -0.173 19939 3400 1 9 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.513 0.143 19939 3401 1 9 . 1 1 131 131 ASN C C 131 175.335 175.335 175.321 0.014 19939 3402 1 9 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.941 -0.351 19939 3403 1 9 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.559 0.722 19939 3404 1 9 . 1 1 131 131 ASN H H 131 7.663 7.663 8.016 -0.353 19939 3405 1 9 . 1 1 132 132 GLY N N 132 108.472 108.472 105.919 2.553 19939 3406 1 9 . 1 1 132 132 GLY C C 132 174.647 174.647 173.993 0.654 19939 3407 1 9 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.071 1.258 19939 3408 1 9 . 1 1 132 132 GLY H H 132 7.854 7.854 7.887 -0.033 19939 3409 1 9 . 1 1 133 133 GLU N N 133 120.028 120.028 121.672 -1.644 19939 3410 1 9 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.410 -0.050 19939 3411 1 9 . 1 1 133 133 GLU C C 133 177.324 177.324 175.224 2.100 19939 3412 1 9 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.455 1.257 19939 3413 1 9 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.803 0.086 19939 3414 1 9 . 1 1 133 133 GLU H H 133 8.142 8.142 7.625 0.517 19939 3415 1 9 . 1 1 134 134 THR N N 134 114.986 114.986 116.578 -1.592 19939 3416 1 9 . 1 1 134 134 THR HA H 134 4.362 4.362 4.483 -0.121 19939 3417 1 9 . 1 1 134 134 THR C C 134 174.926 174.926 175.531 -0.605 19939 3418 1 9 . 1 1 134 134 THR CA C 134 62.028 62.028 62.587 -0.559 19939 3419 1 9 . 1 1 134 134 THR CB C 134 69.927 69.927 69.700 0.227 19939 3420 1 9 . 1 1 134 134 THR H H 134 8.363 8.363 8.075 0.288 19939 3421 1 9 . 1 1 135 135 SER N N 135 118.353 118.353 117.627 0.726 19939 3422 1 9 . 1 1 135 135 SER HA H 135 4.530 4.530 4.302 0.228 19939 3423 1 9 . 1 1 135 135 SER C C 135 174.284 174.284 174.581 -0.297 19939 3424 1 9 . 1 1 135 135 SER CA C 135 59.506 59.506 60.015 -0.509 19939 3425 1 9 . 1 1 135 135 SER CB C 135 63.812 63.812 63.140 0.672 19939 3426 1 9 . 1 1 135 135 SER H H 135 8.580 8.580 8.230 0.350 19939 3427 1 9 . 1 1 136 136 LEU N N 136 122.995 122.995 122.421 0.574 19939 3428 1 9 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.373 0.083 19939 3429 1 9 . 1 1 136 136 LEU C C 136 175.105 175.105 175.912 -0.807 19939 3430 1 9 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.281 -0.760 19939 3431 1 9 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.682 1.794 19939 3432 1 9 . 1 1 136 136 LEU H H 136 8.048 8.048 7.860 0.188 19939 3433 1 9 . 1 1 137 137 LYS N N 137 121.086 121.086 120.139 0.947 19939 3434 1 9 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.517 -0.452 19939 3435 1 9 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.484 -0.283 19939 3436 1 9 . 1 1 137 137 LYS H H 137 8.786 8.786 7.986 0.800 19939 3437 1 9 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.404 -0.448 19939 3438 1 9 . 1 1 138 138 PRO C C 138 177.652 177.652 177.778 -0.126 19939 3439 1 9 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.327 0.710 19939 3440 1 9 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.788 -0.319 19939 3441 1 9 . 1 1 139 139 GLU N N 139 113.380 113.380 114.292 -0.912 19939 3442 1 9 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.844 0.301 19939 3443 1 9 . 1 1 139 139 GLU C C 139 176.688 176.688 177.150 -0.462 19939 3444 1 9 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.752 1.019 19939 3445 1 9 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.047 0.487 19939 3446 1 9 . 1 1 139 139 GLU H H 139 8.889 8.889 8.385 0.504 19939 3447 1 9 . 1 1 140 140 ASP N N 140 119.519 119.519 118.610 0.909 19939 3448 1 9 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.301 0.003 19939 3449 1 9 . 1 1 140 140 ASP C C 140 174.537 174.537 175.693 -1.156 19939 3450 1 9 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.502 0.406 19939 3451 1 9 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.450 -0.577 19939 3452 1 9 . 1 1 140 140 ASP H H 140 8.027 8.027 8.046 -0.019 19939 3453 1 9 . 1 1 141 141 PHE N N 141 118.825 118.825 117.505 1.320 19939 3454 1 9 . 1 1 141 141 PHE HA H 141 3.867 3.867 3.949 -0.082 19939 3455 1 9 . 1 1 141 141 PHE C C 141 173.522 173.522 173.510 0.012 19939 3456 1 9 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.185 1.083 19939 3457 1 9 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.496 -0.017 19939 3458 1 9 . 1 1 141 141 PHE H H 141 7.539 7.539 7.216 0.323 19939 3459 1 9 . 1 1 142 142 ASP N N 142 122.733 122.733 123.349 -0.616 19939 3460 1 9 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.439 0.443 19939 3461 1 9 . 1 1 142 142 ASP C C 142 176.424 176.424 175.376 1.048 19939 3462 1 9 . 1 1 142 142 ASP CA C 142 53.623 53.623 51.866 1.757 19939 3463 1 9 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.380 -1.696 19939 3464 1 9 . 1 1 142 142 ASP H H 142 8.546 8.546 8.146 0.400 19939 3465 1 9 . 1 1 143 143 PHE N N 143 127.545 127.545 121.699 5.846 19939 3466 1 9 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.533 -0.025 19939 3467 1 9 . 1 1 143 143 PHE C C 143 174.878 174.878 175.977 -1.099 19939 3468 1 9 . 1 1 143 143 PHE CA C 143 59.002 59.002 59.314 -0.312 19939 3469 1 9 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.020 0.484 19939 3470 1 9 . 1 1 143 143 PHE H H 143 9.406 9.406 8.649 0.757 19939 3471 1 9 . 1 1 144 144 THR N N 144 114.719 114.719 116.868 -2.149 19939 3472 1 9 . 1 1 144 144 THR HA H 144 4.581 4.581 4.473 0.108 19939 3473 1 9 . 1 1 144 144 THR CA C 144 62.519 62.519 61.918 0.601 19939 3474 1 9 . 1 1 144 144 THR CB C 144 70.241 70.241 70.157 0.084 19939 3475 1 9 . 1 1 144 144 THR H H 144 8.360 8.360 7.780 0.580 19939 3476 1 9 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.989 0.003 19939 3477 1 9 . 1 1 145 145 VAL C C 145 176.097 176.097 176.727 -0.630 19939 3478 1 9 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.354 0.388 19939 3479 1 9 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.560 -0.045 19939 3480 1 9 . 1 1 145 145 VAL H H 145 8.856 8.856 8.319 0.537 19939 3481 1 9 . 1 1 146 146 LEU N N 146 124.454 124.454 121.415 3.039 19939 3482 1 9 . 1 1 146 146 LEU HA H 146 4.366 4.366 3.899 0.467 19939 3483 1 9 . 1 1 146 146 LEU C C 146 176.924 176.924 177.590 -0.666 19939 3484 1 9 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.887 -1.924 19939 3485 1 9 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.169 1.269 19939 3486 1 9 . 1 1 146 146 LEU H H 146 8.082 8.082 8.621 -0.539 19939 3487 1 9 . 1 1 147 147 SER N N 147 117.581 117.581 116.877 0.704 19939 3488 1 9 . 1 1 147 147 SER HA H 147 4.589 4.589 4.122 0.467 19939 3489 1 9 . 1 1 147 147 SER C C 147 173.419 173.419 174.209 -0.790 19939 3490 1 9 . 1 1 147 147 SER CA C 147 58.281 58.281 59.363 -1.082 19939 3491 1 9 . 1 1 147 147 SER CB C 147 63.886 63.886 62.376 1.510 19939 3492 1 9 . 1 1 147 147 SER H H 147 8.216 8.216 8.064 0.152 19939 3493 1 10 . 1 1 79 79 SER C C 79 174.960 174.960 174.123 0.837 19939 3494 1 10 . 1 1 79 79 SER CA C 79 58.539 58.539 58.533 0.006 19939 3495 1 10 . 1 1 79 79 SER CB C 79 64.005 64.005 63.939 0.066 19939 3496 1 10 . 1 1 80 80 THR N N 80 115.664 115.664 112.869 2.795 19939 3497 1 10 . 1 1 80 80 THR HA H 80 4.389 4.389 4.412 -0.023 19939 3498 1 10 . 1 1 80 80 THR C C 80 174.574 174.574 175.057 -0.483 19939 3499 1 10 . 1 1 80 80 THR CA C 80 62.123 62.123 62.788 -0.666 19939 3500 1 10 . 1 1 80 80 THR CB C 80 69.660 69.660 69.394 0.266 19939 3501 1 10 . 1 1 80 80 THR H H 80 8.340 8.340 8.270 0.070 19939 3502 1 10 . 1 1 81 81 GLU N N 81 123.120 123.120 121.776 1.344 19939 3503 1 10 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.470 -0.155 19939 3504 1 10 . 1 1 81 81 GLU C C 81 176.123 176.123 177.751 -1.628 19939 3505 1 10 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.929 -0.257 19939 3506 1 10 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.061 0.199 19939 3507 1 10 . 1 1 81 81 GLU H H 81 8.434 8.434 8.641 -0.207 19939 3508 1 10 . 1 1 82 82 CYS N N 82 120.924 120.924 114.440 6.484 19939 3509 1 10 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.007 0.478 19939 3510 1 10 . 1 1 82 82 CYS C C 82 174.341 174.341 174.296 0.045 19939 3511 1 10 . 1 1 82 82 CYS CA C 82 58.456 58.456 60.054 -1.598 19939 3512 1 10 . 1 1 82 82 CYS CB C 82 27.989 27.989 26.840 1.149 19939 3513 1 10 . 1 1 82 82 CYS H H 82 8.392 8.392 8.474 -0.082 19939 3514 1 10 . 1 1 83 83 ARG N N 83 124.156 124.156 120.134 4.022 19939 3515 1 10 . 1 1 83 83 ARG HA H 83 4.367 4.367 3.889 0.478 19939 3516 1 10 . 1 1 83 83 ARG C C 83 176.140 176.140 176.451 -0.311 19939 3517 1 10 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.760 -0.491 19939 3518 1 10 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.480 0.382 19939 3519 1 10 . 1 1 83 83 ARG H H 83 8.478 8.478 8.053 0.425 19939 3520 1 10 . 1 1 84 84 LYS N N 84 122.766 122.766 119.159 3.607 19939 3521 1 10 . 1 1 84 84 LYS C C 84 176.555 176.555 176.060 0.495 19939 3522 1 10 . 1 1 84 84 LYS CA C 84 55.975 55.975 58.485 -2.510 19939 3523 1 10 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.422 1.912 19939 3524 1 10 . 1 1 84 84 LYS H H 84 8.413 8.413 8.625 -0.212 19939 3525 1 10 . 1 1 85 85 SER N N 85 118.305 118.305 117.918 0.387 19939 3526 1 10 . 1 1 85 85 SER HA H 85 4.408 4.408 4.206 0.202 19939 3527 1 10 . 1 1 85 85 SER C C 85 173.669 173.669 174.840 -1.171 19939 3528 1 10 . 1 1 85 85 SER CA C 85 58.288 58.288 58.620 -0.332 19939 3529 1 10 . 1 1 85 85 SER CB C 85 63.932 63.932 63.166 0.766 19939 3530 1 10 . 1 1 85 85 SER H H 85 8.440 8.440 8.209 0.231 19939 3531 1 10 . 1 1 86 86 VAL N N 86 123.628 123.628 120.348 3.280 19939 3532 1 10 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.906 0.379 19939 3533 1 10 . 1 1 86 86 VAL CA C 86 60.169 60.169 62.189 -2.020 19939 3534 1 10 . 1 1 86 86 VAL CB C 86 33.380 33.380 30.327 3.053 19939 3535 1 10 . 1 1 86 86 VAL H H 86 8.279 8.279 8.676 -0.397 19939 3536 1 10 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.554 -0.353 19939 3537 1 10 . 1 1 87 87 PRO C C 87 175.673 175.673 177.205 -1.532 19939 3538 1 10 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.133 1.489 19939 3539 1 10 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.738 -0.698 19939 3540 1 10 . 1 1 88 88 CYS N N 88 120.983 120.983 123.273 -2.290 19939 3541 1 10 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.313 -0.069 19939 3542 1 10 . 1 1 88 88 CYS C C 88 176.345 176.345 176.279 0.066 19939 3543 1 10 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.263 -0.101 19939 3544 1 10 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.535 -0.615 19939 3545 1 10 . 1 1 88 88 CYS H H 88 8.393 8.393 8.625 -0.232 19939 3546 1 10 . 1 1 89 89 GLY N N 89 115.997 115.997 115.271 0.726 19939 3547 1 10 . 1 1 89 89 GLY C C 89 174.168 174.168 173.216 0.952 19939 3548 1 10 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.058 0.392 19939 3549 1 10 . 1 1 89 89 GLY H H 89 9.011 9.011 8.700 0.311 19939 3550 1 10 . 1 1 90 90 TRP N N 90 121.603 121.603 120.018 1.585 19939 3551 1 10 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.088 -0.116 19939 3552 1 10 . 1 1 90 90 TRP C C 90 175.327 175.327 175.618 -0.291 19939 3553 1 10 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.120 1.349 19939 3554 1 10 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.088 -1.583 19939 3555 1 10 . 1 1 90 90 TRP H H 90 8.406 8.406 7.698 0.708 19939 3556 1 10 . 1 1 91 91 GLU N N 91 119.691 119.691 121.769 -2.078 19939 3557 1 10 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.781 0.070 19939 3558 1 10 . 1 1 91 91 GLU C C 91 174.309 174.309 176.013 -1.704 19939 3559 1 10 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.440 0.625 19939 3560 1 10 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.719 0.694 19939 3561 1 10 . 1 1 91 91 GLU H H 91 8.963 8.963 8.659 0.304 19939 3562 1 10 . 1 1 92 92 ARG N N 92 126.749 126.749 123.426 3.323 19939 3563 1 10 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.883 -0.448 19939 3564 1 10 . 1 1 92 92 ARG C C 92 174.635 174.635 175.320 -0.685 19939 3565 1 10 . 1 1 92 92 ARG CA C 92 54.831 54.831 54.534 0.297 19939 3566 1 10 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.190 0.964 19939 3567 1 10 . 1 1 92 92 ARG H H 92 8.944 8.944 8.596 0.348 19939 3568 1 10 . 1 1 93 93 VAL N N 93 130.450 130.450 123.673 6.777 19939 3569 1 10 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.354 -0.225 19939 3570 1 10 . 1 1 93 93 VAL C C 93 173.391 173.391 173.618 -0.227 19939 3571 1 10 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.697 0.857 19939 3572 1 10 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.656 -0.330 19939 3573 1 10 . 1 1 93 93 VAL H H 93 9.096 9.096 8.059 1.037 19939 3574 1 10 . 1 1 94 94 VAL N N 94 125.534 125.534 121.298 4.236 19939 3575 1 10 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.224 -0.569 19939 3576 1 10 . 1 1 94 94 VAL C C 94 175.830 175.830 174.831 0.999 19939 3577 1 10 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.531 1.764 19939 3578 1 10 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.447 -1.383 19939 3579 1 10 . 1 1 94 94 VAL H H 94 8.341 8.341 8.204 0.137 19939 3580 1 10 . 1 1 95 95 LYS N N 95 128.357 128.357 125.488 2.869 19939 3581 1 10 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.847 0.037 19939 3582 1 10 . 1 1 95 95 LYS C C 95 175.169 175.169 175.457 -0.288 19939 3583 1 10 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.538 -0.802 19939 3584 1 10 . 1 1 95 95 LYS CB C 95 36.190 36.190 34.864 1.326 19939 3585 1 10 . 1 1 95 95 LYS H H 95 9.158 9.158 8.923 0.235 19939 3586 1 10 . 1 1 96 96 GLN N N 96 128.341 128.341 124.154 4.187 19939 3587 1 10 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.367 0.103 19939 3588 1 10 . 1 1 96 96 GLN C C 96 175.665 175.665 175.700 -0.035 19939 3589 1 10 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.087 -0.280 19939 3590 1 10 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.025 0.094 19939 3591 1 10 . 1 1 96 96 GLN H H 96 8.943 8.943 8.542 0.401 19939 3592 1 10 . 1 1 97 97 ARG N N 97 127.147 127.147 123.326 3.821 19939 3593 1 10 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.290 0.149 19939 3594 1 10 . 1 1 97 97 ARG C C 97 178.214 178.214 176.638 1.576 19939 3595 1 10 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.795 0.924 19939 3596 1 10 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.849 -0.524 19939 3597 1 10 . 1 1 97 97 ARG H H 97 9.117 9.117 8.013 1.104 19939 3598 1 10 . 1 1 98 98 LEU N N 98 125.934 125.934 125.744 0.190 19939 3599 1 10 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.073 0.269 19939 3600 1 10 . 1 1 98 98 LEU C C 98 176.647 176.647 176.245 0.402 19939 3601 1 10 . 1 1 98 98 LEU CA C 98 55.683 55.683 55.533 0.150 19939 3602 1 10 . 1 1 98 98 LEU CB C 98 44.063 44.063 42.345 1.718 19939 3603 1 10 . 1 1 98 98 LEU H H 98 9.054 9.054 8.576 0.478 19939 3604 1 10 . 1 1 99 99 PHE N N 99 119.325 119.325 119.218 0.107 19939 3605 1 10 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.711 0.240 19939 3606 1 10 . 1 1 99 99 PHE C C 99 173.854 173.854 175.458 -1.604 19939 3607 1 10 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.026 -0.322 19939 3608 1 10 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.873 1.883 19939 3609 1 10 . 1 1 99 99 PHE H H 99 8.245 8.245 7.677 0.568 19939 3610 1 10 . 1 1 100 100 GLY N N 100 104.714 104.714 109.818 -5.104 19939 3611 1 10 . 1 1 100 100 GLY C C 100 176.173 176.173 174.656 1.517 19939 3612 1 10 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.502 -0.378 19939 3613 1 10 . 1 1 100 100 GLY H H 100 8.111 8.111 7.924 0.187 19939 3614 1 10 . 1 1 101 101 LYS N N 101 122.597 122.597 122.201 0.396 19939 3615 1 10 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.047 0.065 19939 3616 1 10 . 1 1 101 101 LYS C C 101 179.615 179.615 176.803 2.812 19939 3617 1 10 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.979 1.691 19939 3618 1 10 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.227 0.547 19939 3619 1 10 . 1 1 101 101 LYS H H 101 9.134 9.134 8.689 0.445 19939 3620 1 10 . 1 1 102 102 THR N N 102 108.650 108.650 107.972 0.678 19939 3621 1 10 . 1 1 102 102 THR HA H 102 4.339 4.339 4.358 -0.019 19939 3622 1 10 . 1 1 102 102 THR C C 102 172.966 172.966 174.565 -1.599 19939 3623 1 10 . 1 1 102 102 THR CA C 102 61.304 61.304 61.196 0.108 19939 3624 1 10 . 1 1 102 102 THR CB C 102 68.948 68.948 69.008 -0.060 19939 3625 1 10 . 1 1 102 102 THR H H 102 8.982 8.982 7.561 1.421 19939 3626 1 10 . 1 1 103 103 ALA N N 103 123.171 123.171 123.787 -0.616 19939 3627 1 10 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.785 -0.418 19939 3628 1 10 . 1 1 103 103 ALA C C 103 178.082 178.082 178.094 -0.012 19939 3629 1 10 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.822 0.293 19939 3630 1 10 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.955 -1.014 19939 3631 1 10 . 1 1 103 103 ALA H H 103 6.932 6.932 7.657 -0.725 19939 3632 1 10 . 1 1 104 104 GLY N N 104 111.443 111.443 107.866 3.577 19939 3633 1 10 . 1 1 104 104 GLY C C 104 175.274 175.274 174.263 1.011 19939 3634 1 10 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.571 -0.087 19939 3635 1 10 . 1 1 104 104 GLY H H 104 8.545 8.545 8.537 0.008 19939 3636 1 10 . 1 1 105 105 ARG N N 105 119.647 119.647 120.583 -0.936 19939 3637 1 10 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.333 0.084 19939 3638 1 10 . 1 1 105 105 ARG C C 105 174.184 174.184 175.042 -0.858 19939 3639 1 10 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.861 0.882 19939 3640 1 10 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.369 -0.628 19939 3641 1 10 . 1 1 105 105 ARG H H 105 7.646 7.646 7.492 0.154 19939 3642 1 10 . 1 1 106 106 PHE N N 106 117.619 117.619 119.487 -1.868 19939 3643 1 10 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.650 0.773 19939 3644 1 10 . 1 1 106 106 PHE C C 106 175.443 175.443 175.430 0.013 19939 3645 1 10 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.557 -0.369 19939 3646 1 10 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.530 1.998 19939 3647 1 10 . 1 1 106 106 PHE H H 106 8.745 8.745 8.439 0.306 19939 3648 1 10 . 1 1 107 107 ASP N N 107 119.340 119.340 126.055 -6.715 19939 3649 1 10 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.210 -0.032 19939 3650 1 10 . 1 1 107 107 ASP C C 107 173.615 173.615 174.703 -1.088 19939 3651 1 10 . 1 1 107 107 ASP CA C 107 53.703 53.703 54.079 -0.376 19939 3652 1 10 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.407 1.883 19939 3653 1 10 . 1 1 107 107 ASP H H 107 8.858 8.858 8.467 0.391 19939 3654 1 10 . 1 1 108 108 VAL N N 108 121.639 121.639 118.174 3.465 19939 3655 1 10 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.229 -0.316 19939 3656 1 10 . 1 1 108 108 VAL C C 108 174.762 174.762 173.963 0.799 19939 3657 1 10 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.069 0.763 19939 3658 1 10 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.734 -1.795 19939 3659 1 10 . 1 1 108 108 VAL H H 108 8.550 8.550 8.553 -0.003 19939 3660 1 10 . 1 1 109 109 TYR N N 109 121.685 121.685 118.230 3.455 19939 3661 1 10 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.945 0.474 19939 3662 1 10 . 1 1 109 109 TYR C C 109 173.430 173.430 173.890 -0.460 19939 3663 1 10 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.168 -0.708 19939 3664 1 10 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.283 1.758 19939 3665 1 10 . 1 1 109 109 TYR H H 109 8.894 8.894 7.668 1.226 19939 3666 1 10 . 1 1 110 110 PHE N N 110 117.355 117.355 117.219 0.136 19939 3667 1 10 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.684 0.161 19939 3668 1 10 . 1 1 110 110 PHE C C 110 175.425 175.425 175.076 0.349 19939 3669 1 10 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.140 1.557 19939 3670 1 10 . 1 1 110 110 PHE CB C 110 44.118 44.118 40.720 3.398 19939 3671 1 10 . 1 1 110 110 PHE H H 110 8.898 8.898 7.489 1.409 19939 3672 1 10 . 1 1 111 111 ILE N N 111 121.807 121.807 123.625 -1.818 19939 3673 1 10 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.857 0.373 19939 3674 1 10 . 1 1 111 111 ILE C C 111 176.355 176.355 176.258 0.097 19939 3675 1 10 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.211 -0.232 19939 3676 1 10 . 1 1 111 111 ILE CB C 111 39.901 39.901 39.961 -0.060 19939 3677 1 10 . 1 1 111 111 ILE H H 111 9.660 9.660 8.455 1.205 19939 3678 1 10 . 1 1 112 112 SER N N 112 126.063 126.063 123.318 2.745 19939 3679 1 10 . 1 1 112 112 SER HA H 112 3.051 3.051 4.496 -1.445 19939 3680 1 10 . 1 1 112 112 SER CA C 112 56.697 56.697 56.500 0.197 19939 3681 1 10 . 1 1 112 112 SER CB C 112 63.153 63.153 62.350 0.803 19939 3682 1 10 . 1 1 112 112 SER H H 112 9.416 9.416 8.113 1.303 19939 3683 1 10 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.188 0.071 19939 3684 1 10 . 1 1 113 113 PRO C C 113 177.214 177.214 177.000 0.214 19939 3685 1 10 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.017 -0.103 19939 3686 1 10 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.362 0.066 19939 3687 1 10 . 1 1 114 114 GLN N N 114 112.298 112.298 116.022 -3.724 19939 3688 1 10 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.217 0.166 19939 3689 1 10 . 1 1 114 114 GLN C C 114 175.990 175.990 177.103 -1.113 19939 3690 1 10 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.962 -0.148 19939 3691 1 10 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.378 0.271 19939 3692 1 10 . 1 1 114 114 GLN H H 114 7.175 7.175 8.022 -0.847 19939 3693 1 10 . 1 1 115 115 GLY N N 115 108.911 108.911 107.738 1.173 19939 3694 1 10 . 1 1 115 115 GLY C C 115 174.162 174.162 173.907 0.255 19939 3695 1 10 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.215 0.104 19939 3696 1 10 . 1 1 115 115 GLY H H 115 8.150 8.150 8.236 -0.086 19939 3697 1 10 . 1 1 116 116 LEU N N 116 121.038 121.038 115.881 5.157 19939 3698 1 10 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.454 -0.272 19939 3699 1 10 . 1 1 116 116 LEU C C 116 175.187 175.187 175.299 -0.112 19939 3700 1 10 . 1 1 116 116 LEU CA C 116 54.772 54.772 53.925 0.848 19939 3701 1 10 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.259 0.284 19939 3702 1 10 . 1 1 116 116 LEU H H 116 7.166 7.166 7.375 -0.209 19939 3703 1 10 . 1 1 117 117 LYS N N 117 121.584 121.584 120.048 1.536 19939 3704 1 10 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.408 0.861 19939 3705 1 10 . 1 1 117 117 LYS C C 117 175.984 175.984 175.298 0.686 19939 3706 1 10 . 1 1 117 117 LYS CA C 117 55.433 55.433 54.949 0.484 19939 3707 1 10 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.979 -0.416 19939 3708 1 10 . 1 1 117 117 LYS H H 117 8.238 8.238 7.555 0.683 19939 3709 1 10 . 1 1 118 118 PHE N N 118 121.828 121.828 119.430 2.398 19939 3710 1 10 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.599 0.313 19939 3711 1 10 . 1 1 118 118 PHE C C 118 176.449 176.449 174.250 2.199 19939 3712 1 10 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.310 0.696 19939 3713 1 10 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.755 0.213 19939 3714 1 10 . 1 1 118 118 PHE H H 118 9.639 9.639 8.404 1.235 19939 3715 1 10 . 1 1 119 119 ARG N N 119 119.546 119.546 120.269 -0.723 19939 3716 1 10 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.546 0.565 19939 3717 1 10 . 1 1 119 119 ARG C C 119 174.704 174.704 175.359 -0.655 19939 3718 1 10 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.644 -0.473 19939 3719 1 10 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.758 0.062 19939 3720 1 10 . 1 1 119 119 ARG H H 119 9.589 9.589 8.789 0.800 19939 3721 1 10 . 1 1 120 120 SER N N 120 110.737 110.737 115.340 -4.603 19939 3722 1 10 . 1 1 120 120 SER HA H 120 4.341 4.341 4.800 -0.459 19939 3723 1 10 . 1 1 120 120 SER C C 120 172.793 172.793 174.387 -1.594 19939 3724 1 10 . 1 1 120 120 SER CA C 120 56.032 56.032 56.922 -0.890 19939 3725 1 10 . 1 1 120 120 SER CB C 120 66.492 66.492 65.251 1.241 19939 3726 1 10 . 1 1 120 120 SER H H 120 7.625 7.625 7.688 -0.063 19939 3727 1 10 . 1 1 121 121 LYS N N 121 125.451 125.451 126.601 -1.150 19939 3728 1 10 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.164 -0.530 19939 3729 1 10 . 1 1 121 121 LYS C C 121 178.826 178.826 178.110 0.716 19939 3730 1 10 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.384 0.251 19939 3731 1 10 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.423 -1.270 19939 3732 1 10 . 1 1 121 121 LYS H H 121 8.816 8.816 9.068 -0.252 19939 3733 1 10 . 1 1 122 122 SER N N 122 115.374 115.374 114.171 1.203 19939 3734 1 10 . 1 1 122 122 SER HA H 122 4.136 4.136 4.240 -0.104 19939 3735 1 10 . 1 1 122 122 SER C C 122 177.427 177.427 176.168 1.259 19939 3736 1 10 . 1 1 122 122 SER CA C 122 61.492 61.492 61.440 0.052 19939 3737 1 10 . 1 1 122 122 SER CB C 122 62.342 62.342 62.831 -0.489 19939 3738 1 10 . 1 1 122 122 SER H H 122 8.834 8.834 8.021 0.813 19939 3739 1 10 . 1 1 123 123 SER N N 123 118.263 118.263 118.184 0.079 19939 3740 1 10 . 1 1 123 123 SER HA H 123 4.418 4.418 4.101 0.317 19939 3741 1 10 . 1 1 123 123 SER C C 123 178.017 178.017 176.354 1.663 19939 3742 1 10 . 1 1 123 123 SER CA C 123 61.540 61.540 61.129 0.411 19939 3743 1 10 . 1 1 123 123 SER CB C 123 62.967 62.967 62.541 0.426 19939 3744 1 10 . 1 1 123 123 SER H H 123 8.043 8.043 7.692 0.351 19939 3745 1 10 . 1 1 124 124 LEU N N 124 126.780 126.780 123.137 3.643 19939 3746 1 10 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.609 0.039 19939 3747 1 10 . 1 1 124 124 LEU C C 124 177.987 177.987 177.639 0.348 19939 3748 1 10 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.344 0.919 19939 3749 1 10 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.319 0.982 19939 3750 1 10 . 1 1 124 124 LEU H H 124 7.686 7.686 7.369 0.317 19939 3751 1 10 . 1 1 125 125 ALA N N 125 121.665 121.665 120.863 0.802 19939 3752 1 10 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.942 -0.252 19939 3753 1 10 . 1 1 125 125 ALA C C 125 180.032 180.032 179.497 0.535 19939 3754 1 10 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.080 0.607 19939 3755 1 10 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.174 -0.294 19939 3756 1 10 . 1 1 125 125 ALA H H 125 8.912 8.912 7.954 0.958 19939 3757 1 10 . 1 1 126 126 ASN N N 126 115.720 115.720 117.807 -2.087 19939 3758 1 10 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.570 -0.077 19939 3759 1 10 . 1 1 126 126 ASN C C 126 177.174 177.174 177.142 0.032 19939 3760 1 10 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.614 0.757 19939 3761 1 10 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.281 0.242 19939 3762 1 10 . 1 1 126 126 ASN H H 126 7.963 7.963 7.662 0.301 19939 3763 1 10 . 1 1 127 127 TYR N N 127 121.605 121.605 122.758 -1.153 19939 3764 1 10 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.220 0.069 19939 3765 1 10 . 1 1 127 127 TYR C C 127 177.895 177.895 177.677 0.218 19939 3766 1 10 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.813 -0.237 19939 3767 1 10 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.359 0.692 19939 3768 1 10 . 1 1 127 127 TYR H H 127 7.746 7.746 8.001 -0.255 19939 3769 1 10 . 1 1 128 128 LEU N N 128 119.365 119.365 119.601 -0.236 19939 3770 1 10 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.595 0.203 19939 3771 1 10 . 1 1 128 128 LEU C C 128 179.418 179.418 178.762 0.656 19939 3772 1 10 . 1 1 128 128 LEU CA C 128 57.736 57.736 58.697 -0.961 19939 3773 1 10 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.785 -0.892 19939 3774 1 10 . 1 1 128 128 LEU H H 128 8.600 8.600 8.129 0.471 19939 3775 1 10 . 1 1 129 129 HIS N N 129 115.982 115.982 117.019 -1.037 19939 3776 1 10 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.248 0.266 19939 3777 1 10 . 1 1 129 129 HIS C C 129 178.014 178.014 177.843 0.171 19939 3778 1 10 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.253 -1.175 19939 3779 1 10 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.934 -0.588 19939 3780 1 10 . 1 1 129 129 HIS H H 129 8.041 8.041 7.518 0.523 19939 3781 1 10 . 1 1 130 130 LYS N N 130 119.804 119.804 118.968 0.836 19939 3782 1 10 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.999 0.083 19939 3783 1 10 . 1 1 130 130 LYS C C 130 177.320 177.320 178.536 -1.216 19939 3784 1 10 . 1 1 130 130 LYS CA C 130 58.361 58.361 57.995 0.366 19939 3785 1 10 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.373 0.197 19939 3786 1 10 . 1 1 130 130 LYS H H 130 8.136 8.136 8.203 -0.067 19939 3787 1 10 . 1 1 131 131 ASN N N 131 115.918 115.918 114.950 0.968 19939 3788 1 10 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.549 0.107 19939 3789 1 10 . 1 1 131 131 ASN C C 131 175.335 175.335 176.108 -0.773 19939 3790 1 10 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.374 0.216 19939 3791 1 10 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.270 0.010 19939 3792 1 10 . 1 1 131 131 ASN H H 131 7.663 7.663 8.093 -0.430 19939 3793 1 10 . 1 1 132 132 GLY N N 132 108.472 108.472 107.961 0.511 19939 3794 1 10 . 1 1 132 132 GLY C C 132 174.647 174.647 174.025 0.622 19939 3795 1 10 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.172 1.157 19939 3796 1 10 . 1 1 132 132 GLY H H 132 7.854 7.854 7.465 0.389 19939 3797 1 10 . 1 1 133 133 GLU N N 133 120.028 120.028 122.056 -2.028 19939 3798 1 10 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.383 -0.022 19939 3799 1 10 . 1 1 133 133 GLU C C 133 177.324 177.324 175.111 2.213 19939 3800 1 10 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.731 0.981 19939 3801 1 10 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.591 0.298 19939 3802 1 10 . 1 1 133 133 GLU H H 133 8.142 8.142 7.727 0.415 19939 3803 1 10 . 1 1 134 134 THR N N 134 114.986 114.986 115.863 -0.877 19939 3804 1 10 . 1 1 134 134 THR HA H 134 4.362 4.362 4.464 -0.102 19939 3805 1 10 . 1 1 134 134 THR C C 134 174.926 174.926 175.685 -0.759 19939 3806 1 10 . 1 1 134 134 THR CA C 134 62.028 62.028 62.469 -0.441 19939 3807 1 10 . 1 1 134 134 THR CB C 134 69.927 69.927 69.373 0.554 19939 3808 1 10 . 1 1 134 134 THR H H 134 8.363 8.363 8.144 0.219 19939 3809 1 10 . 1 1 135 135 SER N N 135 118.353 118.353 117.846 0.507 19939 3810 1 10 . 1 1 135 135 SER HA H 135 4.530 4.530 4.291 0.239 19939 3811 1 10 . 1 1 135 135 SER C C 135 174.284 174.284 174.582 -0.298 19939 3812 1 10 . 1 1 135 135 SER CA C 135 59.506 59.506 60.827 -1.321 19939 3813 1 10 . 1 1 135 135 SER CB C 135 63.812 63.812 63.170 0.642 19939 3814 1 10 . 1 1 135 135 SER H H 135 8.580 8.580 8.423 0.157 19939 3815 1 10 . 1 1 136 136 LEU N N 136 122.995 122.995 120.762 2.233 19939 3816 1 10 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.170 0.286 19939 3817 1 10 . 1 1 136 136 LEU C C 136 175.105 175.105 176.086 -0.981 19939 3818 1 10 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.680 -1.159 19939 3819 1 10 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.338 2.138 19939 3820 1 10 . 1 1 136 136 LEU H H 136 8.048 8.048 7.766 0.282 19939 3821 1 10 . 1 1 137 137 LYS N N 137 121.086 121.086 120.224 0.862 19939 3822 1 10 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.339 -0.273 19939 3823 1 10 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.181 0.020 19939 3824 1 10 . 1 1 137 137 LYS H H 137 8.786 8.786 8.118 0.668 19939 3825 1 10 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.206 -0.250 19939 3826 1 10 . 1 1 138 138 PRO C C 138 177.652 177.652 178.168 -0.516 19939 3827 1 10 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.623 0.414 19939 3828 1 10 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.949 -0.480 19939 3829 1 10 . 1 1 139 139 GLU N N 139 113.380 113.380 115.794 -2.414 19939 3830 1 10 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.700 0.445 19939 3831 1 10 . 1 1 139 139 GLU C C 139 176.688 176.688 177.031 -0.343 19939 3832 1 10 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.893 0.878 19939 3833 1 10 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.735 -0.201 19939 3834 1 10 . 1 1 139 139 GLU H H 139 8.889 8.889 8.268 0.621 19939 3835 1 10 . 1 1 140 140 ASP N N 140 119.519 119.519 118.167 1.352 19939 3836 1 10 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.264 0.040 19939 3837 1 10 . 1 1 140 140 ASP C C 140 174.537 174.537 176.185 -1.648 19939 3838 1 10 . 1 1 140 140 ASP CA C 140 55.908 55.908 56.386 -0.478 19939 3839 1 10 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.224 -0.351 19939 3840 1 10 . 1 1 140 140 ASP H H 140 8.027 8.027 7.957 0.070 19939 3841 1 10 . 1 1 141 141 PHE N N 141 118.825 118.825 116.610 2.215 19939 3842 1 10 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.401 -0.534 19939 3843 1 10 . 1 1 141 141 PHE C C 141 173.522 173.522 173.663 -0.141 19939 3844 1 10 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.156 1.113 19939 3845 1 10 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.074 0.405 19939 3846 1 10 . 1 1 141 141 PHE H H 141 7.539 7.539 7.014 0.525 19939 3847 1 10 . 1 1 142 142 ASP N N 142 122.733 122.733 124.680 -1.947 19939 3848 1 10 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.495 0.387 19939 3849 1 10 . 1 1 142 142 ASP C C 142 176.424 176.424 175.733 0.691 19939 3850 1 10 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.857 0.766 19939 3851 1 10 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.022 -1.339 19939 3852 1 10 . 1 1 142 142 ASP H H 142 8.546 8.546 8.264 0.282 19939 3853 1 10 . 1 1 143 143 PHE N N 143 127.545 127.545 122.676 4.869 19939 3854 1 10 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.346 0.162 19939 3855 1 10 . 1 1 143 143 PHE C C 143 174.878 174.878 175.199 -0.321 19939 3856 1 10 . 1 1 143 143 PHE CA C 143 59.002 59.002 60.240 -1.238 19939 3857 1 10 . 1 1 143 143 PHE CB C 143 39.504 39.504 38.932 0.572 19939 3858 1 10 . 1 1 143 143 PHE H H 143 9.406 9.406 8.306 1.100 19939 3859 1 10 . 1 1 144 144 THR N N 144 114.719 114.719 109.226 5.493 19939 3860 1 10 . 1 1 144 144 THR HA H 144 4.581 4.581 4.104 0.477 19939 3861 1 10 . 1 1 144 144 THR CA C 144 62.519 62.519 62.863 -0.344 19939 3862 1 10 . 1 1 144 144 THR CB C 144 70.241 70.241 68.919 1.322 19939 3863 1 10 . 1 1 144 144 THR H H 144 8.360 8.360 8.017 0.343 19939 3864 1 10 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.092 -0.100 19939 3865 1 10 . 1 1 145 145 VAL C C 145 176.097 176.097 176.625 -0.528 19939 3866 1 10 . 1 1 145 145 VAL CA C 145 62.742 62.742 64.255 -1.513 19939 3867 1 10 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.456 1.059 19939 3868 1 10 . 1 1 145 145 VAL H H 145 8.856 8.856 8.332 0.524 19939 3869 1 10 . 1 1 146 146 LEU N N 146 124.454 124.454 120.588 3.866 19939 3870 1 10 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.337 0.029 19939 3871 1 10 . 1 1 146 146 LEU C C 146 176.924 176.924 176.940 -0.016 19939 3872 1 10 . 1 1 146 146 LEU CA C 146 54.963 54.963 57.732 -2.769 19939 3873 1 10 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.916 0.521 19939 3874 1 10 . 1 1 146 146 LEU H H 146 8.082 8.082 8.098 -0.016 19939 3875 1 10 . 1 1 147 147 SER N N 147 117.581 117.581 109.932 7.649 19939 3876 1 10 . 1 1 147 147 SER HA H 147 4.589 4.589 4.461 0.128 19939 3877 1 10 . 1 1 147 147 SER C C 147 173.419 173.419 174.280 -0.861 19939 3878 1 10 . 1 1 147 147 SER CA C 147 58.281 58.281 58.235 0.046 19939 3879 1 10 . 1 1 147 147 SER CB C 147 63.886 63.886 63.612 0.274 19939 3880 1 10 . 1 1 147 147 SER H H 147 8.216 8.216 7.761 0.455 19939 3881 1 11 . 1 1 79 79 SER C C 79 174.960 174.960 174.301 0.659 19939 3882 1 11 . 1 1 79 79 SER CA C 79 58.539 58.539 59.801 -1.262 19939 3883 1 11 . 1 1 79 79 SER CB C 79 64.005 64.005 61.836 2.169 19939 3884 1 11 . 1 1 80 80 THR N N 80 115.664 115.664 114.353 1.311 19939 3885 1 11 . 1 1 80 80 THR HA H 80 4.389 4.389 4.007 0.382 19939 3886 1 11 . 1 1 80 80 THR C C 80 174.574 174.574 175.016 -0.442 19939 3887 1 11 . 1 1 80 80 THR CA C 80 62.123 62.123 62.972 -0.849 19939 3888 1 11 . 1 1 80 80 THR CB C 80 69.660 69.660 67.699 1.961 19939 3889 1 11 . 1 1 80 80 THR H H 80 8.340 8.340 8.050 0.290 19939 3890 1 11 . 1 1 81 81 GLU N N 81 123.120 123.120 119.577 3.543 19939 3891 1 11 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.154 0.161 19939 3892 1 11 . 1 1 81 81 GLU C C 81 176.123 176.123 176.486 -0.363 19939 3893 1 11 . 1 1 81 81 GLU CA C 81 56.672 56.672 57.498 -0.826 19939 3894 1 11 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.133 1.127 19939 3895 1 11 . 1 1 81 81 GLU H H 81 8.434 8.434 8.327 0.107 19939 3896 1 11 . 1 1 82 82 CYS N N 82 120.924 120.924 121.465 -0.541 19939 3897 1 11 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.384 0.101 19939 3898 1 11 . 1 1 82 82 CYS C C 82 174.341 174.341 174.396 -0.055 19939 3899 1 11 . 1 1 82 82 CYS CA C 82 58.456 58.456 59.725 -1.269 19939 3900 1 11 . 1 1 82 82 CYS CB C 82 27.989 27.989 27.377 0.612 19939 3901 1 11 . 1 1 82 82 CYS H H 82 8.392 8.392 8.099 0.293 19939 3902 1 11 . 1 1 83 83 ARG N N 83 124.156 124.156 125.524 -1.368 19939 3903 1 11 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.491 -0.124 19939 3904 1 11 . 1 1 83 83 ARG C C 83 176.140 176.140 174.813 1.327 19939 3905 1 11 . 1 1 83 83 ARG CA C 83 56.268 56.268 55.111 1.157 19939 3906 1 11 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.867 -0.006 19939 3907 1 11 . 1 1 83 83 ARG H H 83 8.478 8.478 8.352 0.126 19939 3908 1 11 . 1 1 84 84 LYS N N 84 122.766 122.766 121.398 1.368 19939 3909 1 11 . 1 1 84 84 LYS C C 84 176.555 176.555 176.418 0.137 19939 3910 1 11 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.554 -0.579 19939 3911 1 11 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.631 0.703 19939 3912 1 11 . 1 1 84 84 LYS H H 84 8.413 8.413 8.486 -0.073 19939 3913 1 11 . 1 1 85 85 SER N N 85 118.305 118.305 114.401 3.904 19939 3914 1 11 . 1 1 85 85 SER HA H 85 4.408 4.408 4.190 0.218 19939 3915 1 11 . 1 1 85 85 SER C C 85 173.669 173.669 173.946 -0.277 19939 3916 1 11 . 1 1 85 85 SER CA C 85 58.288 58.288 58.279 0.009 19939 3917 1 11 . 1 1 85 85 SER CB C 85 63.932 63.932 62.087 1.845 19939 3918 1 11 . 1 1 85 85 SER H H 85 8.440 8.440 8.322 0.118 19939 3919 1 11 . 1 1 86 86 VAL N N 86 123.628 123.628 117.880 5.748 19939 3920 1 11 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.878 0.407 19939 3921 1 11 . 1 1 86 86 VAL CA C 86 60.169 60.169 62.298 -2.129 19939 3922 1 11 . 1 1 86 86 VAL CB C 86 33.380 33.380 31.028 2.352 19939 3923 1 11 . 1 1 86 86 VAL H H 86 8.279 8.279 8.563 -0.284 19939 3924 1 11 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.493 -0.292 19939 3925 1 11 . 1 1 87 87 PRO C C 87 175.673 175.673 177.271 -1.598 19939 3926 1 11 . 1 1 87 87 PRO CA C 87 63.622 63.622 63.145 0.477 19939 3927 1 11 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.373 -0.333 19939 3928 1 11 . 1 1 88 88 CYS N N 88 120.983 120.983 121.299 -0.316 19939 3929 1 11 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.342 -0.098 19939 3930 1 11 . 1 1 88 88 CYS C C 88 176.345 176.345 176.551 -0.206 19939 3931 1 11 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.521 0.641 19939 3932 1 11 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.420 -0.500 19939 3933 1 11 . 1 1 88 88 CYS H H 88 8.393 8.393 8.634 -0.241 19939 3934 1 11 . 1 1 89 89 GLY N N 89 115.997 115.997 112.912 3.085 19939 3935 1 11 . 1 1 89 89 GLY C C 89 174.168 174.168 173.237 0.931 19939 3936 1 11 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.018 0.432 19939 3937 1 11 . 1 1 89 89 GLY H H 89 9.011 9.011 8.542 0.469 19939 3938 1 11 . 1 1 90 90 TRP N N 90 121.603 121.603 120.376 1.227 19939 3939 1 11 . 1 1 90 90 TRP HA H 90 4.972 4.972 4.990 -0.018 19939 3940 1 11 . 1 1 90 90 TRP C C 90 175.327 175.327 175.863 -0.536 19939 3941 1 11 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.068 1.401 19939 3942 1 11 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.497 -1.992 19939 3943 1 11 . 1 1 90 90 TRP H H 90 8.406 8.406 7.703 0.703 19939 3944 1 11 . 1 1 91 91 GLU N N 91 119.691 119.691 120.903 -1.212 19939 3945 1 11 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.859 -0.008 19939 3946 1 11 . 1 1 91 91 GLU C C 91 174.309 174.309 175.771 -1.462 19939 3947 1 11 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.864 0.201 19939 3948 1 11 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.887 -0.474 19939 3949 1 11 . 1 1 91 91 GLU H H 91 8.963 8.963 8.519 0.444 19939 3950 1 11 . 1 1 92 92 ARG N N 92 126.749 126.749 121.045 5.704 19939 3951 1 11 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.865 -0.430 19939 3952 1 11 . 1 1 92 92 ARG C C 92 174.635 174.635 174.995 -0.360 19939 3953 1 11 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.100 -0.269 19939 3954 1 11 . 1 1 92 92 ARG CB C 92 33.153 33.153 33.328 -0.175 19939 3955 1 11 . 1 1 92 92 ARG H H 92 8.944 8.944 8.563 0.381 19939 3956 1 11 . 1 1 93 93 VAL N N 93 130.450 130.450 123.746 6.704 19939 3957 1 11 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.323 -0.194 19939 3958 1 11 . 1 1 93 93 VAL C C 93 173.391 173.391 173.577 -0.186 19939 3959 1 11 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.560 0.994 19939 3960 1 11 . 1 1 93 93 VAL CB C 93 34.326 34.326 36.042 -1.716 19939 3961 1 11 . 1 1 93 93 VAL H H 93 9.096 9.096 8.454 0.642 19939 3962 1 11 . 1 1 94 94 VAL N N 94 125.534 125.534 120.689 4.845 19939 3963 1 11 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.696 -0.041 19939 3964 1 11 . 1 1 94 94 VAL C C 94 175.830 175.830 174.423 1.407 19939 3965 1 11 . 1 1 94 94 VAL CA C 94 61.295 61.295 58.475 2.820 19939 3966 1 11 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.492 -0.428 19939 3967 1 11 . 1 1 94 94 VAL H H 94 8.341 8.341 8.107 0.234 19939 3968 1 11 . 1 1 95 95 LYS N N 95 128.357 128.357 125.795 2.562 19939 3969 1 11 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.689 0.195 19939 3970 1 11 . 1 1 95 95 LYS C C 95 175.169 175.169 175.331 -0.162 19939 3971 1 11 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.005 -0.269 19939 3972 1 11 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.406 0.784 19939 3973 1 11 . 1 1 95 95 LYS H H 95 9.158 9.158 8.949 0.209 19939 3974 1 11 . 1 1 96 96 GLN N N 96 128.341 128.341 123.486 4.855 19939 3975 1 11 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.520 -0.050 19939 3976 1 11 . 1 1 96 96 GLN C C 96 175.665 175.665 176.081 -0.416 19939 3977 1 11 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.356 0.451 19939 3978 1 11 . 1 1 96 96 GLN CB C 96 30.119 30.119 31.171 -1.052 19939 3979 1 11 . 1 1 96 96 GLN H H 96 8.943 8.943 8.519 0.424 19939 3980 1 11 . 1 1 97 97 ARG N N 97 127.147 127.147 123.682 3.465 19939 3981 1 11 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.432 0.007 19939 3982 1 11 . 1 1 97 97 ARG C C 97 178.214 178.214 175.900 2.314 19939 3983 1 11 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.955 1.764 19939 3984 1 11 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.518 -0.193 19939 3985 1 11 . 1 1 97 97 ARG H H 97 9.117 9.117 8.193 0.924 19939 3986 1 11 . 1 1 98 98 LEU N N 98 125.934 125.934 123.951 1.983 19939 3987 1 11 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.109 0.233 19939 3988 1 11 . 1 1 98 98 LEU C C 98 176.647 176.647 175.342 1.305 19939 3989 1 11 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.273 1.410 19939 3990 1 11 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.928 2.135 19939 3991 1 11 . 1 1 98 98 LEU H H 98 9.054 9.054 8.712 0.342 19939 3992 1 11 . 1 1 99 99 PHE N N 99 119.325 119.325 118.622 0.703 19939 3993 1 11 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.632 0.319 19939 3994 1 11 . 1 1 99 99 PHE C C 99 173.854 173.854 175.133 -1.279 19939 3995 1 11 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.047 -0.343 19939 3996 1 11 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.170 1.585 19939 3997 1 11 . 1 1 99 99 PHE H H 99 8.245 8.245 7.539 0.706 19939 3998 1 11 . 1 1 100 100 GLY N N 100 104.714 104.714 109.306 -4.592 19939 3999 1 11 . 1 1 100 100 GLY C C 100 176.173 176.173 174.939 1.234 19939 4000 1 11 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.420 -0.296 19939 4001 1 11 . 1 1 100 100 GLY H H 100 8.111 8.111 8.044 0.067 19939 4002 1 11 . 1 1 101 101 LYS N N 101 122.597 122.597 121.383 1.214 19939 4003 1 11 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.077 0.035 19939 4004 1 11 . 1 1 101 101 LYS C C 101 179.615 179.615 177.125 2.490 19939 4005 1 11 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.332 1.338 19939 4006 1 11 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.445 0.329 19939 4007 1 11 . 1 1 101 101 LYS H H 101 9.134 9.134 8.641 0.493 19939 4008 1 11 . 1 1 102 102 THR N N 102 108.650 108.650 109.217 -0.567 19939 4009 1 11 . 1 1 102 102 THR HA H 102 4.339 4.339 4.269 0.070 19939 4010 1 11 . 1 1 102 102 THR C C 102 172.966 172.966 174.141 -1.175 19939 4011 1 11 . 1 1 102 102 THR CA C 102 61.304 61.304 61.663 -0.359 19939 4012 1 11 . 1 1 102 102 THR CB C 102 68.948 68.948 68.133 0.815 19939 4013 1 11 . 1 1 102 102 THR H H 102 8.982 8.982 7.713 1.269 19939 4014 1 11 . 1 1 103 103 ALA N N 103 123.171 123.171 123.693 -0.522 19939 4015 1 11 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.867 -0.500 19939 4016 1 11 . 1 1 103 103 ALA C C 103 178.082 178.082 177.429 0.653 19939 4017 1 11 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.616 0.499 19939 4018 1 11 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.604 -0.663 19939 4019 1 11 . 1 1 103 103 ALA H H 103 6.932 6.932 7.620 -0.688 19939 4020 1 11 . 1 1 104 104 GLY N N 104 111.443 111.443 110.694 0.749 19939 4021 1 11 . 1 1 104 104 GLY C C 104 175.274 175.274 174.593 0.681 19939 4022 1 11 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.544 -0.060 19939 4023 1 11 . 1 1 104 104 GLY H H 104 8.545 8.545 7.849 0.696 19939 4024 1 11 . 1 1 105 105 ARG N N 105 119.647 119.647 121.592 -1.945 19939 4025 1 11 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.285 0.132 19939 4026 1 11 . 1 1 105 105 ARG C C 105 174.184 174.184 175.020 -0.836 19939 4027 1 11 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.171 0.573 19939 4028 1 11 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.034 -0.293 19939 4029 1 11 . 1 1 105 105 ARG H H 105 7.646 7.646 7.489 0.157 19939 4030 1 11 . 1 1 106 106 PHE N N 106 117.619 117.619 118.666 -1.047 19939 4031 1 11 . 1 1 106 106 PHE HA H 106 5.423 5.423 5.314 0.109 19939 4032 1 11 . 1 1 106 106 PHE C C 106 175.443 175.443 176.149 -0.706 19939 4033 1 11 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.140 0.048 19939 4034 1 11 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.347 1.181 19939 4035 1 11 . 1 1 106 106 PHE H H 106 8.745 8.745 8.296 0.449 19939 4036 1 11 . 1 1 107 107 ASP N N 107 119.340 119.340 125.130 -5.790 19939 4037 1 11 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.138 0.040 19939 4038 1 11 . 1 1 107 107 ASP C C 107 173.615 173.615 174.341 -0.726 19939 4039 1 11 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.743 -0.040 19939 4040 1 11 . 1 1 107 107 ASP CB C 107 45.290 45.290 44.045 1.245 19939 4041 1 11 . 1 1 107 107 ASP H H 107 8.858 8.858 8.495 0.362 19939 4042 1 11 . 1 1 108 108 VAL N N 108 121.639 121.639 118.742 2.897 19939 4043 1 11 . 1 1 108 108 VAL HA H 108 4.913 4.913 4.855 0.058 19939 4044 1 11 . 1 1 108 108 VAL C C 108 174.762 174.762 173.738 1.024 19939 4045 1 11 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.729 1.103 19939 4046 1 11 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.166 -1.227 19939 4047 1 11 . 1 1 108 108 VAL H H 108 8.550 8.550 8.420 0.130 19939 4048 1 11 . 1 1 109 109 TYR N N 109 121.685 121.685 117.656 4.029 19939 4049 1 11 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.837 0.582 19939 4050 1 11 . 1 1 109 109 TYR C C 109 173.430 173.430 173.424 0.006 19939 4051 1 11 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.025 -0.565 19939 4052 1 11 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.113 1.928 19939 4053 1 11 . 1 1 109 109 TYR H H 109 8.894 8.894 7.767 1.127 19939 4054 1 11 . 1 1 110 110 PHE N N 110 117.355 117.355 118.828 -1.473 19939 4055 1 11 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.190 0.655 19939 4056 1 11 . 1 1 110 110 PHE C C 110 175.425 175.425 175.902 -0.477 19939 4057 1 11 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.796 -0.099 19939 4058 1 11 . 1 1 110 110 PHE CB C 110 44.118 44.118 40.143 3.975 19939 4059 1 11 . 1 1 110 110 PHE H H 110 8.898 8.898 8.746 0.152 19939 4060 1 11 . 1 1 111 111 ILE N N 111 121.807 121.807 122.215 -0.408 19939 4061 1 11 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.777 0.453 19939 4062 1 11 . 1 1 111 111 ILE C C 111 176.355 176.355 176.314 0.041 19939 4063 1 11 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.801 -0.822 19939 4064 1 11 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.624 -0.723 19939 4065 1 11 . 1 1 111 111 ILE H H 111 9.660 9.660 9.117 0.543 19939 4066 1 11 . 1 1 112 112 SER N N 112 126.063 126.063 119.344 6.719 19939 4067 1 11 . 1 1 112 112 SER HA H 112 3.051 3.051 5.131 -2.080 19939 4068 1 11 . 1 1 112 112 SER CA C 112 56.697 56.697 55.373 1.324 19939 4069 1 11 . 1 1 112 112 SER CB C 112 63.153 63.153 64.359 -1.206 19939 4070 1 11 . 1 1 112 112 SER H H 112 9.416 9.416 8.720 0.696 19939 4071 1 11 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.285 -0.026 19939 4072 1 11 . 1 1 113 113 PRO C C 113 177.214 177.214 177.746 -0.532 19939 4073 1 11 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.906 0.008 19939 4074 1 11 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.787 -0.359 19939 4075 1 11 . 1 1 114 114 GLN N N 114 112.298 112.298 116.053 -3.755 19939 4076 1 11 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.339 0.044 19939 4077 1 11 . 1 1 114 114 GLN C C 114 175.990 175.990 176.636 -0.646 19939 4078 1 11 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.873 -0.059 19939 4079 1 11 . 1 1 114 114 GLN CB C 114 28.649 28.649 29.131 -0.482 19939 4080 1 11 . 1 1 114 114 GLN H H 114 7.175 7.175 8.088 -0.913 19939 4081 1 11 . 1 1 115 115 GLY N N 115 108.911 108.911 107.157 1.754 19939 4082 1 11 . 1 1 115 115 GLY C C 115 174.162 174.162 173.911 0.251 19939 4083 1 11 . 1 1 115 115 GLY CA C 115 45.319 45.319 44.841 0.478 19939 4084 1 11 . 1 1 115 115 GLY H H 115 8.150 8.150 7.923 0.227 19939 4085 1 11 . 1 1 116 116 LEU N N 116 121.038 121.038 121.816 -0.778 19939 4086 1 11 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.186 -0.004 19939 4087 1 11 . 1 1 116 116 LEU C C 116 175.187 175.187 175.633 -0.446 19939 4088 1 11 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.495 0.277 19939 4089 1 11 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.527 0.016 19939 4090 1 11 . 1 1 116 116 LEU H H 116 7.166 7.166 7.353 -0.187 19939 4091 1 11 . 1 1 117 117 LYS N N 117 121.584 121.584 119.941 1.643 19939 4092 1 11 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.507 0.762 19939 4093 1 11 . 1 1 117 117 LYS C C 117 175.984 175.984 175.175 0.809 19939 4094 1 11 . 1 1 117 117 LYS CA C 117 55.433 55.433 54.583 0.850 19939 4095 1 11 . 1 1 117 117 LYS CB C 117 34.563 34.563 35.436 -0.873 19939 4096 1 11 . 1 1 117 117 LYS H H 117 8.238 8.238 7.660 0.578 19939 4097 1 11 . 1 1 118 118 PHE N N 118 121.828 121.828 120.113 1.715 19939 4098 1 11 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.811 0.101 19939 4099 1 11 . 1 1 118 118 PHE C C 118 176.449 176.449 174.282 2.167 19939 4100 1 11 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.106 0.900 19939 4101 1 11 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.485 0.483 19939 4102 1 11 . 1 1 118 118 PHE H H 118 9.639 9.639 7.990 1.649 19939 4103 1 11 . 1 1 119 119 ARG N N 119 119.546 119.546 119.397 0.149 19939 4104 1 11 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.826 0.285 19939 4105 1 11 . 1 1 119 119 ARG C C 119 174.704 174.704 175.143 -0.439 19939 4106 1 11 . 1 1 119 119 ARG CA C 119 55.171 55.171 56.195 -1.024 19939 4107 1 11 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.416 0.404 19939 4108 1 11 . 1 1 119 119 ARG H H 119 9.589 9.589 8.833 0.756 19939 4109 1 11 . 1 1 120 120 SER N N 120 110.737 110.737 115.817 -5.080 19939 4110 1 11 . 1 1 120 120 SER HA H 120 4.341 4.341 4.842 -0.501 19939 4111 1 11 . 1 1 120 120 SER C C 120 172.793 172.793 174.232 -1.439 19939 4112 1 11 . 1 1 120 120 SER CA C 120 56.032 56.032 57.008 -0.976 19939 4113 1 11 . 1 1 120 120 SER CB C 120 66.492 66.492 66.736 -0.244 19939 4114 1 11 . 1 1 120 120 SER H H 120 7.625 7.625 7.928 -0.303 19939 4115 1 11 . 1 1 121 121 LYS N N 121 125.451 125.451 122.017 3.434 19939 4116 1 11 . 1 1 121 121 LYS HA H 121 3.634 3.634 3.535 0.099 19939 4117 1 11 . 1 1 121 121 LYS C C 121 178.826 178.826 178.085 0.741 19939 4118 1 11 . 1 1 121 121 LYS CA C 121 59.635 59.635 58.587 1.048 19939 4119 1 11 . 1 1 121 121 LYS CB C 121 31.154 31.154 31.689 -0.535 19939 4120 1 11 . 1 1 121 121 LYS H H 121 8.816 8.816 8.632 0.184 19939 4121 1 11 . 1 1 122 122 SER N N 122 115.374 115.374 115.307 0.067 19939 4122 1 11 . 1 1 122 122 SER HA H 122 4.136 4.136 4.107 0.029 19939 4123 1 11 . 1 1 122 122 SER C C 122 177.427 177.427 176.553 0.874 19939 4124 1 11 . 1 1 122 122 SER CA C 122 61.492 61.492 61.203 0.289 19939 4125 1 11 . 1 1 122 122 SER CB C 122 62.342 62.342 62.607 -0.265 19939 4126 1 11 . 1 1 122 122 SER H H 122 8.834 8.834 8.004 0.830 19939 4127 1 11 . 1 1 123 123 SER N N 123 118.263 118.263 119.310 -1.047 19939 4128 1 11 . 1 1 123 123 SER HA H 123 4.418 4.418 4.045 0.373 19939 4129 1 11 . 1 1 123 123 SER C C 123 178.017 178.017 176.179 1.838 19939 4130 1 11 . 1 1 123 123 SER CA C 123 61.540 61.540 61.679 -0.140 19939 4131 1 11 . 1 1 123 123 SER CB C 123 62.967 62.967 63.048 -0.081 19939 4132 1 11 . 1 1 123 123 SER H H 123 8.043 8.043 7.564 0.479 19939 4133 1 11 . 1 1 124 124 LEU N N 124 126.780 126.780 121.624 5.156 19939 4134 1 11 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.412 0.236 19939 4135 1 11 . 1 1 124 124 LEU C C 124 177.987 177.987 177.622 0.365 19939 4136 1 11 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.435 0.828 19939 4137 1 11 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.232 1.069 19939 4138 1 11 . 1 1 124 124 LEU H H 124 7.686 7.686 7.253 0.433 19939 4139 1 11 . 1 1 125 125 ALA N N 125 121.665 121.665 120.496 1.169 19939 4140 1 11 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.863 -0.173 19939 4141 1 11 . 1 1 125 125 ALA C C 125 180.032 180.032 179.536 0.496 19939 4142 1 11 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.121 0.566 19939 4143 1 11 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.196 -0.316 19939 4144 1 11 . 1 1 125 125 ALA H H 125 8.912 8.912 7.969 0.943 19939 4145 1 11 . 1 1 126 126 ASN N N 126 115.720 115.720 117.571 -1.851 19939 4146 1 11 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.590 -0.097 19939 4147 1 11 . 1 1 126 126 ASN C C 126 177.174 177.174 177.254 -0.080 19939 4148 1 11 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.387 0.984 19939 4149 1 11 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.426 0.097 19939 4150 1 11 . 1 1 126 126 ASN H H 126 7.963 7.963 7.864 0.099 19939 4151 1 11 . 1 1 127 127 TYR N N 127 121.605 121.605 122.893 -1.288 19939 4152 1 11 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.170 0.119 19939 4153 1 11 . 1 1 127 127 TYR C C 127 177.895 177.895 177.502 0.393 19939 4154 1 11 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.858 -0.282 19939 4155 1 11 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.261 0.790 19939 4156 1 11 . 1 1 127 127 TYR H H 127 7.746 7.746 8.332 -0.586 19939 4157 1 11 . 1 1 128 128 LEU N N 128 119.365 119.365 118.441 0.924 19939 4158 1 11 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.543 0.255 19939 4159 1 11 . 1 1 128 128 LEU C C 128 179.418 179.418 178.855 0.563 19939 4160 1 11 . 1 1 128 128 LEU CA C 128 57.736 57.736 58.024 -0.288 19939 4161 1 11 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.515 -0.622 19939 4162 1 11 . 1 1 128 128 LEU H H 128 8.600 8.600 8.381 0.219 19939 4163 1 11 . 1 1 129 129 HIS N N 129 115.982 115.982 117.273 -1.291 19939 4164 1 11 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.175 0.339 19939 4165 1 11 . 1 1 129 129 HIS C C 129 178.014 178.014 177.299 0.715 19939 4166 1 11 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.106 -1.028 19939 4167 1 11 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.755 -0.409 19939 4168 1 11 . 1 1 129 129 HIS H H 129 8.041 8.041 7.638 0.403 19939 4169 1 11 . 1 1 130 130 LYS N N 130 119.804 119.804 118.749 1.055 19939 4170 1 11 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.924 0.158 19939 4171 1 11 . 1 1 130 130 LYS C C 130 177.320 177.320 178.487 -1.167 19939 4172 1 11 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.643 -0.282 19939 4173 1 11 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.415 0.155 19939 4174 1 11 . 1 1 130 130 LYS H H 130 8.136 8.136 7.942 0.194 19939 4175 1 11 . 1 1 131 131 ASN N N 131 115.918 115.918 115.407 0.511 19939 4176 1 11 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.562 0.094 19939 4177 1 11 . 1 1 131 131 ASN C C 131 175.335 175.335 175.703 -0.368 19939 4178 1 11 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.430 0.160 19939 4179 1 11 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.626 0.654 19939 4180 1 11 . 1 1 131 131 ASN H H 131 7.663 7.663 7.800 -0.137 19939 4181 1 11 . 1 1 132 132 GLY N N 132 108.472 108.472 105.670 2.802 19939 4182 1 11 . 1 1 132 132 GLY C C 132 174.647 174.647 174.249 0.398 19939 4183 1 11 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.177 1.152 19939 4184 1 11 . 1 1 132 132 GLY H H 132 7.854 7.854 7.120 0.734 19939 4185 1 11 . 1 1 133 133 GLU N N 133 120.028 120.028 121.879 -1.851 19939 4186 1 11 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.395 -0.035 19939 4187 1 11 . 1 1 133 133 GLU C C 133 177.324 177.324 175.518 1.806 19939 4188 1 11 . 1 1 133 133 GLU CA C 133 56.712 56.712 56.267 0.445 19939 4189 1 11 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.012 -0.122 19939 4190 1 11 . 1 1 133 133 GLU H H 133 8.142 8.142 7.636 0.506 19939 4191 1 11 . 1 1 134 134 THR N N 134 114.986 114.986 115.757 -0.771 19939 4192 1 11 . 1 1 134 134 THR HA H 134 4.362 4.362 4.567 -0.205 19939 4193 1 11 . 1 1 134 134 THR C C 134 174.926 174.926 175.362 -0.436 19939 4194 1 11 . 1 1 134 134 THR CA C 134 62.028 62.028 61.401 0.627 19939 4195 1 11 . 1 1 134 134 THR CB C 134 69.927 69.927 69.651 0.276 19939 4196 1 11 . 1 1 134 134 THR H H 134 8.363 8.363 8.326 0.036 19939 4197 1 11 . 1 1 135 135 SER N N 135 118.353 118.353 117.751 0.602 19939 4198 1 11 . 1 1 135 135 SER HA H 135 4.530 4.530 4.316 0.214 19939 4199 1 11 . 1 1 135 135 SER C C 135 174.284 174.284 174.327 -0.043 19939 4200 1 11 . 1 1 135 135 SER CA C 135 59.506 59.506 60.998 -1.492 19939 4201 1 11 . 1 1 135 135 SER CB C 135 63.812 63.812 63.262 0.550 19939 4202 1 11 . 1 1 135 135 SER H H 135 8.580 8.580 8.347 0.233 19939 4203 1 11 . 1 1 136 136 LEU N N 136 122.995 122.995 119.383 3.612 19939 4204 1 11 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.238 0.218 19939 4205 1 11 . 1 1 136 136 LEU C C 136 175.105 175.105 175.086 0.019 19939 4206 1 11 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.421 -0.900 19939 4207 1 11 . 1 1 136 136 LEU CB C 136 44.476 44.476 43.178 1.298 19939 4208 1 11 . 1 1 136 136 LEU H H 136 8.048 8.048 7.946 0.102 19939 4209 1 11 . 1 1 137 137 LYS N N 137 121.086 121.086 119.200 1.886 19939 4210 1 11 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.162 -0.096 19939 4211 1 11 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.412 0.789 19939 4212 1 11 . 1 1 137 137 LYS H H 137 8.786 8.786 7.992 0.794 19939 4213 1 11 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.096 -0.140 19939 4214 1 11 . 1 1 138 138 PRO C C 138 177.652 177.652 176.934 0.718 19939 4215 1 11 . 1 1 138 138 PRO CA C 138 66.037 66.037 64.927 1.111 19939 4216 1 11 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.763 -0.294 19939 4217 1 11 . 1 1 139 139 GLU N N 139 113.380 113.380 114.894 -1.514 19939 4218 1 11 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.531 -0.386 19939 4219 1 11 . 1 1 139 139 GLU C C 139 176.688 176.688 176.153 0.535 19939 4220 1 11 . 1 1 139 139 GLU CA C 139 58.771 58.771 56.762 2.009 19939 4221 1 11 . 1 1 139 139 GLU CB C 139 28.534 28.534 29.104 -0.570 19939 4222 1 11 . 1 1 139 139 GLU H H 139 8.889 8.889 8.270 0.619 19939 4223 1 11 . 1 1 140 140 ASP N N 140 119.519 119.519 120.623 -1.104 19939 4224 1 11 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.394 -0.090 19939 4225 1 11 . 1 1 140 140 ASP C C 140 174.537 174.537 175.690 -1.153 19939 4226 1 11 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.544 0.364 19939 4227 1 11 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.165 -0.292 19939 4228 1 11 . 1 1 140 140 ASP H H 140 8.027 8.027 8.390 -0.363 19939 4229 1 11 . 1 1 141 141 PHE N N 141 118.825 118.825 117.411 1.414 19939 4230 1 11 . 1 1 141 141 PHE HA H 141 3.867 3.867 3.773 0.094 19939 4231 1 11 . 1 1 141 141 PHE C C 141 173.522 173.522 174.511 -0.989 19939 4232 1 11 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.265 1.003 19939 4233 1 11 . 1 1 141 141 PHE CB C 141 39.479 39.479 38.446 1.033 19939 4234 1 11 . 1 1 141 141 PHE H H 141 7.539 7.539 7.633 -0.094 19939 4235 1 11 . 1 1 142 142 ASP N N 142 122.733 122.733 125.540 -2.807 19939 4236 1 11 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.181 0.701 19939 4237 1 11 . 1 1 142 142 ASP C C 142 176.424 176.424 175.347 1.077 19939 4238 1 11 . 1 1 142 142 ASP CA C 142 53.623 53.623 51.873 1.750 19939 4239 1 11 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.017 -1.334 19939 4240 1 11 . 1 1 142 142 ASP H H 142 8.546 8.546 7.982 0.564 19939 4241 1 11 . 1 1 143 143 PHE N N 143 127.545 127.545 125.561 1.984 19939 4242 1 11 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.625 -0.117 19939 4243 1 11 . 1 1 143 143 PHE C C 143 174.878 174.878 176.231 -1.353 19939 4244 1 11 . 1 1 143 143 PHE CA C 143 59.002 59.002 57.060 1.942 19939 4245 1 11 . 1 1 143 143 PHE CB C 143 39.504 39.504 37.532 1.972 19939 4246 1 11 . 1 1 143 143 PHE H H 143 9.406 9.406 8.273 1.133 19939 4247 1 11 . 1 1 144 144 THR N N 144 114.719 114.719 113.339 1.380 19939 4248 1 11 . 1 1 144 144 THR HA H 144 4.581 4.581 4.457 0.124 19939 4249 1 11 . 1 1 144 144 THR CA C 144 62.519 62.519 62.031 0.488 19939 4250 1 11 . 1 1 144 144 THR CB C 144 70.241 70.241 70.635 -0.395 19939 4251 1 11 . 1 1 144 144 THR H H 144 8.360 8.360 8.759 -0.399 19939 4252 1 11 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.266 -0.274 19939 4253 1 11 . 1 1 145 145 VAL C C 145 176.097 176.097 176.271 -0.174 19939 4254 1 11 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.590 0.152 19939 4255 1 11 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.163 0.352 19939 4256 1 11 . 1 1 145 145 VAL H H 145 8.856 8.856 8.284 0.572 19939 4257 1 11 . 1 1 146 146 LEU N N 146 124.454 124.454 117.785 6.669 19939 4258 1 11 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.763 -0.397 19939 4259 1 11 . 1 1 146 146 LEU C C 146 176.924 176.924 176.951 -0.027 19939 4260 1 11 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.978 -0.015 19939 4261 1 11 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.597 0.841 19939 4262 1 11 . 1 1 146 146 LEU H H 146 8.082 8.082 7.873 0.209 19939 4263 1 11 . 1 1 147 147 SER N N 147 117.581 117.581 116.556 1.025 19939 4264 1 11 . 1 1 147 147 SER HA H 147 4.589 4.589 4.387 0.202 19939 4265 1 11 . 1 1 147 147 SER C C 147 173.419 173.419 174.009 -0.590 19939 4266 1 11 . 1 1 147 147 SER CA C 147 58.281 58.281 59.760 -1.479 19939 4267 1 11 . 1 1 147 147 SER CB C 147 63.886 63.886 63.449 0.437 19939 4268 1 11 . 1 1 147 147 SER H H 147 8.216 8.216 7.823 0.393 19939 4269 1 12 . 1 1 79 79 SER C C 79 174.960 174.960 175.734 -0.774 19939 4270 1 12 . 1 1 79 79 SER CA C 79 58.539 58.539 59.652 -1.113 19939 4271 1 12 . 1 1 79 79 SER CB C 79 64.005 64.005 62.874 1.131 19939 4272 1 12 . 1 1 80 80 THR N N 80 115.664 115.664 116.213 -0.549 19939 4273 1 12 . 1 1 80 80 THR HA H 80 4.389 4.389 4.348 0.041 19939 4274 1 12 . 1 1 80 80 THR C C 80 174.574 174.574 173.193 1.381 19939 4275 1 12 . 1 1 80 80 THR CA C 80 62.123 62.123 61.463 0.660 19939 4276 1 12 . 1 1 80 80 THR CB C 80 69.660 69.660 69.696 -0.036 19939 4277 1 12 . 1 1 80 80 THR H H 80 8.340 8.340 7.841 0.499 19939 4278 1 12 . 1 1 81 81 GLU N N 81 123.120 123.120 120.139 2.981 19939 4279 1 12 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.407 -0.092 19939 4280 1 12 . 1 1 81 81 GLU C C 81 176.123 176.123 176.386 -0.263 19939 4281 1 12 . 1 1 81 81 GLU CA C 81 56.672 56.672 55.723 0.949 19939 4282 1 12 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.406 -0.146 19939 4283 1 12 . 1 1 81 81 GLU H H 81 8.434 8.434 8.296 0.138 19939 4284 1 12 . 1 1 82 82 CYS N N 82 120.924 120.924 119.231 1.693 19939 4285 1 12 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.483 0.002 19939 4286 1 12 . 1 1 82 82 CYS C C 82 174.341 174.341 174.995 -0.654 19939 4287 1 12 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.889 0.567 19939 4288 1 12 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.292 -0.303 19939 4289 1 12 . 1 1 82 82 CYS H H 82 8.392 8.392 8.629 -0.237 19939 4290 1 12 . 1 1 83 83 ARG N N 83 124.156 124.156 122.772 1.384 19939 4291 1 12 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.169 0.198 19939 4292 1 12 . 1 1 83 83 ARG C C 83 176.140 176.140 175.416 0.724 19939 4293 1 12 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.478 -0.210 19939 4294 1 12 . 1 1 83 83 ARG CB C 83 30.862 30.862 29.584 1.278 19939 4295 1 12 . 1 1 83 83 ARG H H 83 8.478 8.478 8.004 0.474 19939 4296 1 12 . 1 1 84 84 LYS N N 84 122.766 122.766 126.756 -3.990 19939 4297 1 12 . 1 1 84 84 LYS C C 84 176.555 176.555 175.725 0.830 19939 4298 1 12 . 1 1 84 84 LYS CA C 84 55.975 55.975 55.152 0.823 19939 4299 1 12 . 1 1 84 84 LYS CB C 84 33.334 33.334 33.585 -0.251 19939 4300 1 12 . 1 1 84 84 LYS H H 84 8.413 8.413 8.461 -0.048 19939 4301 1 12 . 1 1 85 85 SER N N 85 118.305 118.305 117.916 0.389 19939 4302 1 12 . 1 1 85 85 SER HA H 85 4.408 4.408 4.094 0.314 19939 4303 1 12 . 1 1 85 85 SER C C 85 173.669 173.669 173.810 -0.141 19939 4304 1 12 . 1 1 85 85 SER CA C 85 58.288 58.288 58.847 -0.559 19939 4305 1 12 . 1 1 85 85 SER CB C 85 63.932 63.932 63.294 0.638 19939 4306 1 12 . 1 1 85 85 SER H H 85 8.440 8.440 8.569 -0.129 19939 4307 1 12 . 1 1 86 86 VAL N N 86 123.628 123.628 116.603 7.025 19939 4308 1 12 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.908 0.377 19939 4309 1 12 . 1 1 86 86 VAL CA C 86 60.169 60.169 62.763 -2.594 19939 4310 1 12 . 1 1 86 86 VAL CB C 86 33.380 33.380 30.953 2.427 19939 4311 1 12 . 1 1 86 86 VAL H H 86 8.279 8.279 8.631 -0.352 19939 4312 1 12 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.481 -0.280 19939 4313 1 12 . 1 1 87 87 PRO C C 87 175.673 175.673 176.983 -1.310 19939 4314 1 12 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.427 1.195 19939 4315 1 12 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.699 -0.659 19939 4316 1 12 . 1 1 88 88 CYS N N 88 120.983 120.983 120.963 0.020 19939 4317 1 12 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.079 0.165 19939 4318 1 12 . 1 1 88 88 CYS C C 88 176.345 176.345 176.636 -0.291 19939 4319 1 12 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.178 -0.016 19939 4320 1 12 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.621 -1.701 19939 4321 1 12 . 1 1 88 88 CYS H H 88 8.393 8.393 8.544 -0.151 19939 4322 1 12 . 1 1 89 89 GLY N N 89 115.997 115.997 116.948 -0.951 19939 4323 1 12 . 1 1 89 89 GLY C C 89 174.168 174.168 172.972 1.196 19939 4324 1 12 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.223 0.227 19939 4325 1 12 . 1 1 89 89 GLY H H 89 9.011 9.011 8.852 0.159 19939 4326 1 12 . 1 1 90 90 TRP N N 90 121.603 121.603 120.154 1.449 19939 4327 1 12 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.615 -0.643 19939 4328 1 12 . 1 1 90 90 TRP C C 90 175.327 175.327 175.912 -0.585 19939 4329 1 12 . 1 1 90 90 TRP CA C 90 57.469 57.469 55.932 1.537 19939 4330 1 12 . 1 1 90 90 TRP CB C 90 29.505 29.505 32.001 -2.495 19939 4331 1 12 . 1 1 90 90 TRP H H 90 8.406 8.406 7.722 0.684 19939 4332 1 12 . 1 1 91 91 GLU N N 91 119.691 119.691 121.329 -1.638 19939 4333 1 12 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.850 0.001 19939 4334 1 12 . 1 1 91 91 GLU C C 91 174.309 174.309 175.197 -0.888 19939 4335 1 12 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.522 0.543 19939 4336 1 12 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.661 -0.248 19939 4337 1 12 . 1 1 91 91 GLU H H 91 8.963 8.963 8.644 0.319 19939 4338 1 12 . 1 1 92 92 ARG N N 92 126.749 126.749 122.674 4.075 19939 4339 1 12 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.602 -0.167 19939 4340 1 12 . 1 1 92 92 ARG C C 92 174.635 174.635 174.961 -0.326 19939 4341 1 12 . 1 1 92 92 ARG CA C 92 54.831 54.831 54.514 0.317 19939 4342 1 12 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.008 1.145 19939 4343 1 12 . 1 1 92 92 ARG H H 92 8.944 8.944 8.435 0.509 19939 4344 1 12 . 1 1 93 93 VAL N N 93 130.450 130.450 123.798 6.652 19939 4345 1 12 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.247 -0.118 19939 4346 1 12 . 1 1 93 93 VAL C C 93 173.391 173.391 173.552 -0.161 19939 4347 1 12 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.698 0.856 19939 4348 1 12 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.364 -1.038 19939 4349 1 12 . 1 1 93 93 VAL H H 93 9.096 9.096 7.766 1.330 19939 4350 1 12 . 1 1 94 94 VAL N N 94 125.534 125.534 122.126 3.408 19939 4351 1 12 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.094 -0.439 19939 4352 1 12 . 1 1 94 94 VAL C C 94 175.830 175.830 174.946 0.884 19939 4353 1 12 . 1 1 94 94 VAL CA C 94 61.295 61.295 58.853 2.442 19939 4354 1 12 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.657 -0.593 19939 4355 1 12 . 1 1 94 94 VAL H H 94 8.341 8.341 8.191 0.150 19939 4356 1 12 . 1 1 95 95 LYS N N 95 128.357 128.357 125.885 2.472 19939 4357 1 12 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.724 0.160 19939 4358 1 12 . 1 1 95 95 LYS C C 95 175.169 175.169 175.312 -0.143 19939 4359 1 12 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.226 -0.490 19939 4360 1 12 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.615 0.575 19939 4361 1 12 . 1 1 95 95 LYS H H 95 9.158 9.158 8.957 0.201 19939 4362 1 12 . 1 1 96 96 GLN N N 96 128.341 128.341 125.609 2.732 19939 4363 1 12 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.266 0.204 19939 4364 1 12 . 1 1 96 96 GLN C C 96 175.665 175.665 175.791 -0.126 19939 4365 1 12 . 1 1 96 96 GLN CA C 96 54.807 54.807 56.311 -1.504 19939 4366 1 12 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.473 0.646 19939 4367 1 12 . 1 1 96 96 GLN H H 96 8.943 8.943 8.757 0.186 19939 4368 1 12 . 1 1 97 97 ARG N N 97 127.147 127.147 126.867 0.280 19939 4369 1 12 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.394 0.045 19939 4370 1 12 . 1 1 97 97 ARG C C 97 178.214 178.214 174.698 3.516 19939 4371 1 12 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.065 1.654 19939 4372 1 12 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.612 -1.287 19939 4373 1 12 . 1 1 97 97 ARG H H 97 9.117 9.117 8.743 0.374 19939 4374 1 12 . 1 1 98 98 LEU N N 98 125.934 125.934 127.300 -1.366 19939 4375 1 12 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.445 -0.103 19939 4376 1 12 . 1 1 98 98 LEU C C 98 176.647 176.647 175.343 1.304 19939 4377 1 12 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.508 1.175 19939 4378 1 12 . 1 1 98 98 LEU CB C 98 44.063 44.063 40.783 3.280 19939 4379 1 12 . 1 1 98 98 LEU H H 98 9.054 9.054 8.408 0.646 19939 4380 1 12 . 1 1 99 99 PHE N N 99 119.325 119.325 123.130 -3.805 19939 4381 1 12 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.707 0.244 19939 4382 1 12 . 1 1 99 99 PHE C C 99 173.854 173.854 175.591 -1.737 19939 4383 1 12 . 1 1 99 99 PHE CA C 99 56.704 56.704 58.093 -1.389 19939 4384 1 12 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.380 2.374 19939 4385 1 12 . 1 1 99 99 PHE H H 99 8.245 8.245 8.395 -0.150 19939 4386 1 12 . 1 1 100 100 GLY N N 100 104.714 104.714 107.920 -3.206 19939 4387 1 12 . 1 1 100 100 GLY C C 100 176.173 176.173 174.511 1.662 19939 4388 1 12 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.792 -1.668 19939 4389 1 12 . 1 1 100 100 GLY H H 100 8.111 8.111 8.403 -0.292 19939 4390 1 12 . 1 1 101 101 LYS N N 101 122.597 122.597 121.364 1.233 19939 4391 1 12 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.274 -0.163 19939 4392 1 12 . 1 1 101 101 LYS C C 101 179.615 179.615 177.950 1.665 19939 4393 1 12 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.157 1.514 19939 4394 1 12 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.108 0.666 19939 4395 1 12 . 1 1 101 101 LYS H H 101 9.134 9.134 8.219 0.915 19939 4396 1 12 . 1 1 102 102 THR N N 102 108.650 108.650 109.218 -0.568 19939 4397 1 12 . 1 1 102 102 THR HA H 102 4.339 4.339 4.367 -0.028 19939 4398 1 12 . 1 1 102 102 THR C C 102 172.966 172.966 174.316 -1.350 19939 4399 1 12 . 1 1 102 102 THR CA C 102 61.304 61.304 61.567 -0.263 19939 4400 1 12 . 1 1 102 102 THR CB C 102 68.948 68.948 69.607 -0.659 19939 4401 1 12 . 1 1 102 102 THR H H 102 8.982 8.982 7.834 1.148 19939 4402 1 12 . 1 1 103 103 ALA N N 103 123.171 123.171 124.572 -1.401 19939 4403 1 12 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.960 -0.593 19939 4404 1 12 . 1 1 103 103 ALA C C 103 178.082 178.082 178.817 -0.735 19939 4405 1 12 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.810 0.305 19939 4406 1 12 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.544 -0.603 19939 4407 1 12 . 1 1 103 103 ALA H H 103 6.932 6.932 7.768 -0.836 19939 4408 1 12 . 1 1 104 104 GLY N N 104 111.443 111.443 110.852 0.591 19939 4409 1 12 . 1 1 104 104 GLY C C 104 175.274 175.274 174.148 1.126 19939 4410 1 12 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.642 -0.158 19939 4411 1 12 . 1 1 104 104 GLY H H 104 8.545 8.545 8.453 0.092 19939 4412 1 12 . 1 1 105 105 ARG N N 105 119.647 119.647 121.122 -1.475 19939 4413 1 12 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.265 0.152 19939 4414 1 12 . 1 1 105 105 ARG C C 105 174.184 174.184 175.075 -0.891 19939 4415 1 12 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.889 0.855 19939 4416 1 12 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.064 -0.323 19939 4417 1 12 . 1 1 105 105 ARG H H 105 7.646 7.646 7.585 0.061 19939 4418 1 12 . 1 1 106 106 PHE N N 106 117.619 117.619 121.474 -3.855 19939 4419 1 12 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.688 0.735 19939 4420 1 12 . 1 1 106 106 PHE C C 106 175.443 175.443 175.794 -0.351 19939 4421 1 12 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.816 -0.628 19939 4422 1 12 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.959 1.569 19939 4423 1 12 . 1 1 106 106 PHE H H 106 8.745 8.745 8.538 0.207 19939 4424 1 12 . 1 1 107 107 ASP N N 107 119.340 119.340 125.499 -6.159 19939 4425 1 12 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.227 -0.049 19939 4426 1 12 . 1 1 107 107 ASP C C 107 173.615 173.615 174.840 -1.225 19939 4427 1 12 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.996 -0.293 19939 4428 1 12 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.195 2.095 19939 4429 1 12 . 1 1 107 107 ASP H H 107 8.858 8.858 8.748 0.110 19939 4430 1 12 . 1 1 108 108 VAL N N 108 121.639 121.639 118.127 3.512 19939 4431 1 12 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.355 -0.442 19939 4432 1 12 . 1 1 108 108 VAL C C 108 174.762 174.762 174.237 0.525 19939 4433 1 12 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.695 1.137 19939 4434 1 12 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.474 -1.535 19939 4435 1 12 . 1 1 108 108 VAL H H 108 8.550 8.550 8.574 -0.024 19939 4436 1 12 . 1 1 109 109 TYR N N 109 121.685 121.685 117.675 4.010 19939 4437 1 12 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.091 0.328 19939 4438 1 12 . 1 1 109 109 TYR C C 109 173.430 173.430 173.056 0.374 19939 4439 1 12 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.442 -0.982 19939 4440 1 12 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.864 2.177 19939 4441 1 12 . 1 1 109 109 TYR H H 109 8.894 8.894 7.697 1.197 19939 4442 1 12 . 1 1 110 110 PHE N N 110 117.355 117.355 118.773 -1.418 19939 4443 1 12 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.675 0.170 19939 4444 1 12 . 1 1 110 110 PHE C C 110 175.425 175.425 175.734 -0.309 19939 4445 1 12 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.270 0.427 19939 4446 1 12 . 1 1 110 110 PHE CB C 110 44.118 44.118 42.781 1.337 19939 4447 1 12 . 1 1 110 110 PHE H H 110 8.898 8.898 8.252 0.646 19939 4448 1 12 . 1 1 111 111 ILE N N 111 121.807 121.807 121.815 -0.008 19939 4449 1 12 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.720 0.510 19939 4450 1 12 . 1 1 111 111 ILE C C 111 176.355 176.355 175.300 1.055 19939 4451 1 12 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.378 -0.399 19939 4452 1 12 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.921 -1.020 19939 4453 1 12 . 1 1 111 111 ILE H H 111 9.660 9.660 8.637 1.023 19939 4454 1 12 . 1 1 112 112 SER N N 112 126.063 126.063 119.778 6.285 19939 4455 1 12 . 1 1 112 112 SER HA H 112 3.051 3.051 4.379 -1.328 19939 4456 1 12 . 1 1 112 112 SER CA C 112 56.697 56.697 55.403 1.294 19939 4457 1 12 . 1 1 112 112 SER CB C 112 63.153 63.153 63.206 -0.053 19939 4458 1 12 . 1 1 112 112 SER H H 112 9.416 9.416 8.716 0.700 19939 4459 1 12 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.200 0.059 19939 4460 1 12 . 1 1 113 113 PRO C C 113 177.214 177.214 176.818 0.396 19939 4461 1 12 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.388 -0.474 19939 4462 1 12 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.511 -0.083 19939 4463 1 12 . 1 1 114 114 GLN N N 114 112.298 112.298 117.062 -4.764 19939 4464 1 12 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.294 0.089 19939 4465 1 12 . 1 1 114 114 GLN C C 114 175.990 175.990 176.809 -0.819 19939 4466 1 12 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.731 0.083 19939 4467 1 12 . 1 1 114 114 GLN CB C 114 28.649 28.649 27.999 0.650 19939 4468 1 12 . 1 1 114 114 GLN H H 114 7.175 7.175 7.936 -0.761 19939 4469 1 12 . 1 1 115 115 GLY N N 115 108.911 108.911 106.622 2.289 19939 4470 1 12 . 1 1 115 115 GLY C C 115 174.162 174.162 173.549 0.613 19939 4471 1 12 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.490 -0.171 19939 4472 1 12 . 1 1 115 115 GLY H H 115 8.150 8.150 8.032 0.118 19939 4473 1 12 . 1 1 116 116 LEU N N 116 121.038 121.038 120.768 0.270 19939 4474 1 12 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.090 0.092 19939 4475 1 12 . 1 1 116 116 LEU C C 116 175.187 175.187 175.906 -0.719 19939 4476 1 12 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.321 0.451 19939 4477 1 12 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.008 0.535 19939 4478 1 12 . 1 1 116 116 LEU H H 116 7.166 7.166 7.670 -0.504 19939 4479 1 12 . 1 1 117 117 LYS N N 117 121.584 121.584 120.436 1.148 19939 4480 1 12 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.910 0.359 19939 4481 1 12 . 1 1 117 117 LYS C C 117 175.984 175.984 175.453 0.531 19939 4482 1 12 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.099 0.334 19939 4483 1 12 . 1 1 117 117 LYS CB C 117 34.563 34.563 35.032 -0.469 19939 4484 1 12 . 1 1 117 117 LYS H H 117 8.238 8.238 7.842 0.396 19939 4485 1 12 . 1 1 118 118 PHE N N 118 121.828 121.828 120.966 0.862 19939 4486 1 12 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.751 0.161 19939 4487 1 12 . 1 1 118 118 PHE C C 118 176.449 176.449 174.782 1.667 19939 4488 1 12 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.469 0.536 19939 4489 1 12 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.201 0.767 19939 4490 1 12 . 1 1 118 118 PHE H H 118 9.639 9.639 8.667 0.972 19939 4491 1 12 . 1 1 119 119 ARG N N 119 119.546 119.546 120.808 -1.262 19939 4492 1 12 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.643 0.468 19939 4493 1 12 . 1 1 119 119 ARG C C 119 174.704 174.704 175.460 -0.756 19939 4494 1 12 . 1 1 119 119 ARG CA C 119 55.171 55.171 56.285 -1.114 19939 4495 1 12 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.034 0.786 19939 4496 1 12 . 1 1 119 119 ARG H H 119 9.589 9.589 8.750 0.839 19939 4497 1 12 . 1 1 120 120 SER N N 120 110.737 110.737 114.529 -3.792 19939 4498 1 12 . 1 1 120 120 SER HA H 120 4.341 4.341 4.990 -0.649 19939 4499 1 12 . 1 1 120 120 SER C C 120 172.793 172.793 174.577 -1.784 19939 4500 1 12 . 1 1 120 120 SER CA C 120 56.032 56.032 56.934 -0.902 19939 4501 1 12 . 1 1 120 120 SER CB C 120 66.492 66.492 64.880 1.612 19939 4502 1 12 . 1 1 120 120 SER H H 120 7.625 7.625 7.759 -0.134 19939 4503 1 12 . 1 1 121 121 LYS N N 121 125.451 125.451 124.767 0.684 19939 4504 1 12 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.314 -0.680 19939 4505 1 12 . 1 1 121 121 LYS C C 121 178.826 178.826 178.688 0.138 19939 4506 1 12 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.910 -0.275 19939 4507 1 12 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.611 -1.457 19939 4508 1 12 . 1 1 121 121 LYS H H 121 8.816 8.816 9.007 -0.191 19939 4509 1 12 . 1 1 122 122 SER N N 122 115.374 115.374 116.024 -0.650 19939 4510 1 12 . 1 1 122 122 SER HA H 122 4.136 4.136 4.280 -0.144 19939 4511 1 12 . 1 1 122 122 SER C C 122 177.427 177.427 176.483 0.944 19939 4512 1 12 . 1 1 122 122 SER CA C 122 61.492 61.492 62.163 -0.671 19939 4513 1 12 . 1 1 122 122 SER CB C 122 62.342 62.342 62.529 -0.187 19939 4514 1 12 . 1 1 122 122 SER H H 122 8.834 8.834 8.051 0.783 19939 4515 1 12 . 1 1 123 123 SER N N 123 118.263 118.263 117.752 0.511 19939 4516 1 12 . 1 1 123 123 SER HA H 123 4.418 4.418 4.296 0.121 19939 4517 1 12 . 1 1 123 123 SER C C 123 178.017 178.017 176.766 1.251 19939 4518 1 12 . 1 1 123 123 SER CA C 123 61.540 61.540 61.845 -0.305 19939 4519 1 12 . 1 1 123 123 SER CB C 123 62.967 62.967 62.879 0.088 19939 4520 1 12 . 1 1 123 123 SER H H 123 8.043 8.043 8.245 -0.202 19939 4521 1 12 . 1 1 124 124 LEU N N 124 126.780 126.780 122.702 4.078 19939 4522 1 12 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.354 0.294 19939 4523 1 12 . 1 1 124 124 LEU C C 124 177.987 177.987 177.436 0.551 19939 4524 1 12 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.240 1.023 19939 4525 1 12 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.279 1.022 19939 4526 1 12 . 1 1 124 124 LEU H H 124 7.686 7.686 7.671 0.015 19939 4527 1 12 . 1 1 125 125 ALA N N 125 121.665 121.665 120.974 0.691 19939 4528 1 12 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.904 -0.214 19939 4529 1 12 . 1 1 125 125 ALA C C 125 180.032 180.032 179.525 0.507 19939 4530 1 12 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.302 0.385 19939 4531 1 12 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.121 -0.241 19939 4532 1 12 . 1 1 125 125 ALA H H 125 8.912 8.912 8.347 0.565 19939 4533 1 12 . 1 1 126 126 ASN N N 126 115.720 115.720 118.327 -2.607 19939 4534 1 12 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.561 -0.068 19939 4535 1 12 . 1 1 126 126 ASN C C 126 177.174 177.174 177.093 0.081 19939 4536 1 12 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.830 0.541 19939 4537 1 12 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.458 0.065 19939 4538 1 12 . 1 1 126 126 ASN H H 126 7.963 7.963 8.396 -0.433 19939 4539 1 12 . 1 1 127 127 TYR N N 127 121.605 121.605 122.080 -0.475 19939 4540 1 12 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.277 0.012 19939 4541 1 12 . 1 1 127 127 TYR C C 127 177.895 177.895 177.905 -0.010 19939 4542 1 12 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.746 -0.170 19939 4543 1 12 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.598 0.453 19939 4544 1 12 . 1 1 127 127 TYR H H 127 7.746 7.746 8.108 -0.362 19939 4545 1 12 . 1 1 128 128 LEU N N 128 119.365 119.365 118.938 0.427 19939 4546 1 12 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.481 0.317 19939 4547 1 12 . 1 1 128 128 LEU C C 128 179.418 179.418 179.208 0.210 19939 4548 1 12 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.984 -0.248 19939 4549 1 12 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.533 -0.640 19939 4550 1 12 . 1 1 128 128 LEU H H 128 8.600 8.600 8.472 0.128 19939 4551 1 12 . 1 1 129 129 HIS N N 129 115.982 115.982 117.686 -1.704 19939 4552 1 12 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.204 0.310 19939 4553 1 12 . 1 1 129 129 HIS C C 129 178.014 178.014 177.397 0.617 19939 4554 1 12 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.346 -1.268 19939 4555 1 12 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.845 -0.499 19939 4556 1 12 . 1 1 129 129 HIS H H 129 8.041 8.041 7.963 0.078 19939 4557 1 12 . 1 1 130 130 LYS N N 130 119.804 119.804 118.743 1.061 19939 4558 1 12 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.993 0.089 19939 4559 1 12 . 1 1 130 130 LYS C C 130 177.320 177.320 178.537 -1.217 19939 4560 1 12 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.487 -0.126 19939 4561 1 12 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.492 0.078 19939 4562 1 12 . 1 1 130 130 LYS H H 130 8.136 8.136 8.011 0.125 19939 4563 1 12 . 1 1 131 131 ASN N N 131 115.918 115.918 115.300 0.618 19939 4564 1 12 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.489 0.167 19939 4565 1 12 . 1 1 131 131 ASN C C 131 175.335 175.335 176.416 -1.081 19939 4566 1 12 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.881 -0.291 19939 4567 1 12 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.196 0.084 19939 4568 1 12 . 1 1 131 131 ASN H H 131 7.663 7.663 7.944 -0.281 19939 4569 1 12 . 1 1 132 132 GLY N N 132 108.472 108.472 107.746 0.726 19939 4570 1 12 . 1 1 132 132 GLY C C 132 174.647 174.647 173.612 1.035 19939 4571 1 12 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.013 1.316 19939 4572 1 12 . 1 1 132 132 GLY H H 132 7.854 7.854 7.712 0.142 19939 4573 1 12 . 1 1 133 133 GLU N N 133 120.028 120.028 121.549 -1.521 19939 4574 1 12 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.515 -0.155 19939 4575 1 12 . 1 1 133 133 GLU C C 133 177.324 177.324 175.752 1.572 19939 4576 1 12 . 1 1 133 133 GLU CA C 133 56.712 56.712 54.959 1.753 19939 4577 1 12 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.352 0.537 19939 4578 1 12 . 1 1 133 133 GLU H H 133 8.142 8.142 7.685 0.457 19939 4579 1 12 . 1 1 134 134 THR N N 134 114.986 114.986 114.751 0.235 19939 4580 1 12 . 1 1 134 134 THR HA H 134 4.362 4.362 4.503 -0.141 19939 4581 1 12 . 1 1 134 134 THR C C 134 174.926 174.926 175.326 -0.400 19939 4582 1 12 . 1 1 134 134 THR CA C 134 62.028 62.028 61.573 0.455 19939 4583 1 12 . 1 1 134 134 THR CB C 134 69.927 69.927 69.143 0.784 19939 4584 1 12 . 1 1 134 134 THR H H 134 8.363 8.363 8.204 0.159 19939 4585 1 12 . 1 1 135 135 SER N N 135 118.353 118.353 116.594 1.759 19939 4586 1 12 . 1 1 135 135 SER HA H 135 4.530 4.530 4.319 0.211 19939 4587 1 12 . 1 1 135 135 SER C C 135 174.284 174.284 174.889 -0.605 19939 4588 1 12 . 1 1 135 135 SER CA C 135 59.506 59.506 59.557 -0.051 19939 4589 1 12 . 1 1 135 135 SER CB C 135 63.812 63.812 62.836 0.976 19939 4590 1 12 . 1 1 135 135 SER H H 135 8.580 8.580 8.194 0.386 19939 4591 1 12 . 1 1 136 136 LEU N N 136 122.995 122.995 123.559 -0.564 19939 4592 1 12 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.377 0.079 19939 4593 1 12 . 1 1 136 136 LEU C C 136 175.105 175.105 175.994 -0.889 19939 4594 1 12 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.080 -0.559 19939 4595 1 12 . 1 1 136 136 LEU CB C 136 44.476 44.476 43.106 1.370 19939 4596 1 12 . 1 1 136 136 LEU H H 136 8.048 8.048 7.870 0.178 19939 4597 1 12 . 1 1 137 137 LYS N N 137 121.086 121.086 121.447 -0.361 19939 4598 1 12 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.570 -0.504 19939 4599 1 12 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.422 -0.221 19939 4600 1 12 . 1 1 137 137 LYS H H 137 8.786 8.786 8.082 0.704 19939 4601 1 12 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.303 -0.347 19939 4602 1 12 . 1 1 138 138 PRO C C 138 177.652 177.652 178.219 -0.567 19939 4603 1 12 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.572 0.465 19939 4604 1 12 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.977 -0.509 19939 4605 1 12 . 1 1 139 139 GLU N N 139 113.380 113.380 116.579 -3.199 19939 4606 1 12 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.850 0.295 19939 4607 1 12 . 1 1 139 139 GLU C C 139 176.688 176.688 177.256 -0.568 19939 4608 1 12 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.674 1.097 19939 4609 1 12 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.731 -0.197 19939 4610 1 12 . 1 1 139 139 GLU H H 139 8.889 8.889 8.503 0.386 19939 4611 1 12 . 1 1 140 140 ASP N N 140 119.519 119.519 119.144 0.375 19939 4612 1 12 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.273 0.031 19939 4613 1 12 . 1 1 140 140 ASP C C 140 174.537 174.537 175.685 -1.148 19939 4614 1 12 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.739 0.169 19939 4615 1 12 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.390 -0.517 19939 4616 1 12 . 1 1 140 140 ASP H H 140 8.027 8.027 8.004 0.023 19939 4617 1 12 . 1 1 141 141 PHE N N 141 118.825 118.825 117.486 1.339 19939 4618 1 12 . 1 1 141 141 PHE HA H 141 3.867 3.867 3.925 -0.058 19939 4619 1 12 . 1 1 141 141 PHE C C 141 173.522 173.522 173.413 0.109 19939 4620 1 12 . 1 1 141 141 PHE CA C 141 57.268 57.268 55.599 1.669 19939 4621 1 12 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.787 -0.308 19939 4622 1 12 . 1 1 141 141 PHE H H 141 7.539 7.539 7.277 0.262 19939 4623 1 12 . 1 1 142 142 ASP N N 142 122.733 122.733 124.281 -1.548 19939 4624 1 12 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.619 0.263 19939 4625 1 12 . 1 1 142 142 ASP C C 142 176.424 176.424 175.746 0.678 19939 4626 1 12 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.357 1.266 19939 4627 1 12 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.701 -2.018 19939 4628 1 12 . 1 1 142 142 ASP H H 142 8.546 8.546 7.904 0.642 19939 4629 1 12 . 1 1 143 143 PHE N N 143 127.545 127.545 122.082 5.463 19939 4630 1 12 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.671 -0.163 19939 4631 1 12 . 1 1 143 143 PHE C C 143 174.878 174.878 174.777 0.101 19939 4632 1 12 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.443 0.559 19939 4633 1 12 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.445 0.059 19939 4634 1 12 . 1 1 143 143 PHE H H 143 9.406 9.406 8.432 0.974 19939 4635 1 12 . 1 1 144 144 THR N N 144 114.719 114.719 118.679 -3.960 19939 4636 1 12 . 1 1 144 144 THR HA H 144 4.581 4.581 4.332 0.249 19939 4637 1 12 . 1 1 144 144 THR CA C 144 62.519 62.519 61.333 1.186 19939 4638 1 12 . 1 1 144 144 THR CB C 144 70.241 70.241 71.084 -0.843 19939 4639 1 12 . 1 1 144 144 THR H H 144 8.360 8.360 8.083 0.277 19939 4640 1 12 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.318 -0.326 19939 4641 1 12 . 1 1 145 145 VAL C C 145 176.097 176.097 175.456 0.641 19939 4642 1 12 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.922 -1.180 19939 4643 1 12 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.914 -0.399 19939 4644 1 12 . 1 1 145 145 VAL H H 145 8.856 8.856 8.759 0.097 19939 4645 1 12 . 1 1 146 146 LEU N N 146 124.454 124.454 116.856 7.598 19939 4646 1 12 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.604 -0.238 19939 4647 1 12 . 1 1 146 146 LEU C C 146 176.924 176.924 175.889 1.035 19939 4648 1 12 . 1 1 146 146 LEU CA C 146 54.963 54.963 53.319 1.644 19939 4649 1 12 . 1 1 146 146 LEU CB C 146 42.438 42.438 40.945 1.493 19939 4650 1 12 . 1 1 146 146 LEU H H 146 8.082 8.082 7.716 0.366 19939 4651 1 12 . 1 1 147 147 SER N N 147 117.581 117.581 114.619 2.962 19939 4652 1 12 . 1 1 147 147 SER HA H 147 4.589 4.589 4.082 0.507 19939 4653 1 12 . 1 1 147 147 SER C C 147 173.419 173.419 173.896 -0.477 19939 4654 1 12 . 1 1 147 147 SER CA C 147 58.281 58.281 59.051 -0.770 19939 4655 1 12 . 1 1 147 147 SER CB C 147 63.886 63.886 63.946 -0.060 19939 4656 1 12 . 1 1 147 147 SER H H 147 8.216 8.216 7.956 0.260 19939 4657 1 13 . 1 1 79 79 SER C C 79 174.960 174.960 174.907 0.053 19939 4658 1 13 . 1 1 79 79 SER CA C 79 58.539 58.539 58.698 -0.159 19939 4659 1 13 . 1 1 79 79 SER CB C 79 64.005 64.005 64.083 -0.078 19939 4660 1 13 . 1 1 80 80 THR N N 80 115.664 115.664 109.106 6.558 19939 4661 1 13 . 1 1 80 80 THR HA H 80 4.389 4.389 3.970 0.419 19939 4662 1 13 . 1 1 80 80 THR C C 80 174.574 174.574 173.871 0.703 19939 4663 1 13 . 1 1 80 80 THR CA C 80 62.123 62.123 63.146 -1.023 19939 4664 1 13 . 1 1 80 80 THR CB C 80 69.660 69.660 68.116 1.544 19939 4665 1 13 . 1 1 80 80 THR H H 80 8.340 8.340 8.356 -0.016 19939 4666 1 13 . 1 1 81 81 GLU N N 81 123.120 123.120 119.100 4.020 19939 4667 1 13 . 1 1 81 81 GLU HA H 81 4.315 4.315 3.841 0.474 19939 4668 1 13 . 1 1 81 81 GLU C C 81 176.123 176.123 175.444 0.679 19939 4669 1 13 . 1 1 81 81 GLU CA C 81 56.672 56.672 57.621 -0.949 19939 4670 1 13 . 1 1 81 81 GLU CB C 81 30.260 30.260 29.481 0.779 19939 4671 1 13 . 1 1 81 81 GLU H H 81 8.434 8.434 7.825 0.609 19939 4672 1 13 . 1 1 82 82 CYS N N 82 120.924 120.924 124.403 -3.479 19939 4673 1 13 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.444 0.041 19939 4674 1 13 . 1 1 82 82 CYS C C 82 174.341 174.341 175.795 -1.454 19939 4675 1 13 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.970 -0.514 19939 4676 1 13 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.879 -0.890 19939 4677 1 13 . 1 1 82 82 CYS H H 82 8.392 8.392 8.513 -0.121 19939 4678 1 13 . 1 1 83 83 ARG N N 83 124.156 124.156 124.337 -0.181 19939 4679 1 13 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.228 0.139 19939 4680 1 13 . 1 1 83 83 ARG C C 83 176.140 176.140 175.390 0.750 19939 4681 1 13 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.856 -0.588 19939 4682 1 13 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.916 -0.054 19939 4683 1 13 . 1 1 83 83 ARG H H 83 8.478 8.478 8.475 0.003 19939 4684 1 13 . 1 1 84 84 LYS N N 84 122.766 122.766 122.688 0.078 19939 4685 1 13 . 1 1 84 84 LYS C C 84 176.555 176.555 178.114 -1.559 19939 4686 1 13 . 1 1 84 84 LYS CA C 84 55.975 55.975 55.498 0.477 19939 4687 1 13 . 1 1 84 84 LYS CB C 84 33.334 33.334 33.820 -0.486 19939 4688 1 13 . 1 1 84 84 LYS H H 84 8.413 8.413 8.110 0.303 19939 4689 1 13 . 1 1 85 85 SER N N 85 118.305 118.305 111.544 6.761 19939 4690 1 13 . 1 1 85 85 SER HA H 85 4.408 4.408 4.002 0.406 19939 4691 1 13 . 1 1 85 85 SER C C 85 173.669 173.669 173.752 -0.083 19939 4692 1 13 . 1 1 85 85 SER CA C 85 58.288 58.288 60.692 -2.404 19939 4693 1 13 . 1 1 85 85 SER CB C 85 63.932 63.932 62.789 1.143 19939 4694 1 13 . 1 1 85 85 SER H H 85 8.440 8.440 8.775 -0.335 19939 4695 1 13 . 1 1 86 86 VAL N N 86 123.628 123.628 122.982 0.646 19939 4696 1 13 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.460 -0.175 19939 4697 1 13 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.853 0.316 19939 4698 1 13 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.106 1.274 19939 4699 1 13 . 1 1 86 86 VAL H H 86 8.279 8.279 8.063 0.216 19939 4700 1 13 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.478 -0.277 19939 4701 1 13 . 1 1 87 87 PRO C C 87 175.673 175.673 176.956 -1.283 19939 4702 1 13 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.168 1.454 19939 4703 1 13 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.508 -0.468 19939 4704 1 13 . 1 1 88 88 CYS N N 88 120.983 120.983 122.856 -1.873 19939 4705 1 13 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.249 -0.005 19939 4706 1 13 . 1 1 88 88 CYS C C 88 176.345 176.345 176.166 0.179 19939 4707 1 13 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.716 -0.554 19939 4708 1 13 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.575 -0.655 19939 4709 1 13 . 1 1 88 88 CYS H H 88 8.393 8.393 8.818 -0.425 19939 4710 1 13 . 1 1 89 89 GLY N N 89 115.997 115.997 114.408 1.589 19939 4711 1 13 . 1 1 89 89 GLY C C 89 174.168 174.168 173.176 0.992 19939 4712 1 13 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.002 0.448 19939 4713 1 13 . 1 1 89 89 GLY H H 89 9.011 9.011 8.589 0.422 19939 4714 1 13 . 1 1 90 90 TRP N N 90 121.603 121.603 119.893 1.710 19939 4715 1 13 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.257 -0.285 19939 4716 1 13 . 1 1 90 90 TRP C C 90 175.327 175.327 176.296 -0.969 19939 4717 1 13 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.418 1.051 19939 4718 1 13 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.495 -1.990 19939 4719 1 13 . 1 1 90 90 TRP H H 90 8.406 8.406 7.776 0.630 19939 4720 1 13 . 1 1 91 91 GLU N N 91 119.691 119.691 119.994 -0.303 19939 4721 1 13 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.827 0.024 19939 4722 1 13 . 1 1 91 91 GLU C C 91 174.309 174.309 175.101 -0.792 19939 4723 1 13 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.932 0.133 19939 4724 1 13 . 1 1 91 91 GLU CB C 91 33.413 33.413 34.030 -0.617 19939 4725 1 13 . 1 1 91 91 GLU H H 91 8.963 8.963 8.759 0.204 19939 4726 1 13 . 1 1 92 92 ARG N N 92 126.749 126.749 123.916 2.833 19939 4727 1 13 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.010 -0.575 19939 4728 1 13 . 1 1 92 92 ARG C C 92 174.635 174.635 174.994 -0.359 19939 4729 1 13 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.406 -0.575 19939 4730 1 13 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.095 1.058 19939 4731 1 13 . 1 1 92 92 ARG H H 92 8.944 8.944 8.590 0.354 19939 4732 1 13 . 1 1 93 93 VAL N N 93 130.450 130.450 127.723 2.727 19939 4733 1 13 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.323 -0.194 19939 4734 1 13 . 1 1 93 93 VAL C C 93 173.391 173.391 173.813 -0.422 19939 4735 1 13 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.524 1.030 19939 4736 1 13 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.858 -0.532 19939 4737 1 13 . 1 1 93 93 VAL H H 93 9.096 9.096 8.660 0.436 19939 4738 1 13 . 1 1 94 94 VAL N N 94 125.534 125.534 121.209 4.325 19939 4739 1 13 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.048 -0.393 19939 4740 1 13 . 1 1 94 94 VAL C C 94 175.830 175.830 174.931 0.899 19939 4741 1 13 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.031 2.264 19939 4742 1 13 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.723 -0.659 19939 4743 1 13 . 1 1 94 94 VAL H H 94 8.341 8.341 8.256 0.085 19939 4744 1 13 . 1 1 95 95 LYS N N 95 128.357 128.357 126.171 2.186 19939 4745 1 13 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.791 0.093 19939 4746 1 13 . 1 1 95 95 LYS C C 95 175.169 175.169 175.288 -0.119 19939 4747 1 13 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.363 0.373 19939 4748 1 13 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.663 0.527 19939 4749 1 13 . 1 1 95 95 LYS H H 95 9.158 9.158 9.058 0.100 19939 4750 1 13 . 1 1 96 96 GLN N N 96 128.341 128.341 122.588 5.753 19939 4751 1 13 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.739 -0.269 19939 4752 1 13 . 1 1 96 96 GLN C C 96 175.665 175.665 175.813 -0.148 19939 4753 1 13 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.254 -0.447 19939 4754 1 13 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.988 0.131 19939 4755 1 13 . 1 1 96 96 GLN H H 96 8.943 8.943 8.518 0.425 19939 4756 1 13 . 1 1 97 97 ARG N N 97 127.147 127.147 125.212 1.935 19939 4757 1 13 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.274 0.165 19939 4758 1 13 . 1 1 97 97 ARG C C 97 178.214 178.214 174.545 3.669 19939 4759 1 13 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.068 1.651 19939 4760 1 13 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.474 -1.149 19939 4761 1 13 . 1 1 97 97 ARG H H 97 9.117 9.117 8.022 1.095 19939 4762 1 13 . 1 1 98 98 LEU N N 98 125.934 125.934 126.574 -0.640 19939 4763 1 13 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.381 -0.039 19939 4764 1 13 . 1 1 98 98 LEU C C 98 176.647 176.647 175.291 1.356 19939 4765 1 13 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.676 1.007 19939 4766 1 13 . 1 1 98 98 LEU CB C 98 44.063 44.063 42.232 1.831 19939 4767 1 13 . 1 1 98 98 LEU H H 98 9.054 9.054 8.131 0.923 19939 4768 1 13 . 1 1 99 99 PHE N N 99 119.325 119.325 122.302 -2.977 19939 4769 1 13 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.699 0.252 19939 4770 1 13 . 1 1 99 99 PHE C C 99 173.854 173.854 176.346 -2.492 19939 4771 1 13 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.964 -1.260 19939 4772 1 13 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.108 2.647 19939 4773 1 13 . 1 1 99 99 PHE H H 99 8.245 8.245 8.433 -0.188 19939 4774 1 13 . 1 1 100 100 GLY N N 100 104.714 104.714 106.712 -1.998 19939 4775 1 13 . 1 1 100 100 GLY C C 100 176.173 176.173 175.947 0.226 19939 4776 1 13 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.792 -1.668 19939 4777 1 13 . 1 1 100 100 GLY H H 100 8.111 8.111 8.018 0.094 19939 4778 1 13 . 1 1 101 101 LYS N N 101 122.597 122.597 122.435 0.162 19939 4779 1 13 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.214 -0.102 19939 4780 1 13 . 1 1 101 101 LYS C C 101 179.615 179.615 176.985 2.630 19939 4781 1 13 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.969 1.701 19939 4782 1 13 . 1 1 101 101 LYS CB C 101 32.774 32.774 31.956 0.818 19939 4783 1 13 . 1 1 101 101 LYS H H 101 9.134 9.134 8.483 0.651 19939 4784 1 13 . 1 1 102 102 THR N N 102 108.650 108.650 107.267 1.383 19939 4785 1 13 . 1 1 102 102 THR HA H 102 4.339 4.339 4.484 -0.145 19939 4786 1 13 . 1 1 102 102 THR C C 102 172.966 172.966 173.437 -0.471 19939 4787 1 13 . 1 1 102 102 THR CA C 102 61.304 61.304 60.008 1.296 19939 4788 1 13 . 1 1 102 102 THR CB C 102 68.948 68.948 68.900 0.048 19939 4789 1 13 . 1 1 102 102 THR H H 102 8.982 8.982 7.693 1.289 19939 4790 1 13 . 1 1 103 103 ALA N N 103 123.171 123.171 123.621 -0.450 19939 4791 1 13 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.184 -0.817 19939 4792 1 13 . 1 1 103 103 ALA C C 103 178.082 178.082 177.516 0.566 19939 4793 1 13 . 1 1 103 103 ALA CA C 103 54.115 54.115 52.831 1.284 19939 4794 1 13 . 1 1 103 103 ALA CB C 103 17.941 17.941 19.150 -1.209 19939 4795 1 13 . 1 1 103 103 ALA H H 103 6.932 6.932 7.304 -0.372 19939 4796 1 13 . 1 1 104 104 GLY N N 104 111.443 111.443 111.027 0.416 19939 4797 1 13 . 1 1 104 104 GLY C C 104 175.274 175.274 174.579 0.695 19939 4798 1 13 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.588 -0.104 19939 4799 1 13 . 1 1 104 104 GLY H H 104 8.545 8.545 8.613 -0.068 19939 4800 1 13 . 1 1 105 105 ARG N N 105 119.647 119.647 121.034 -1.387 19939 4801 1 13 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.278 0.139 19939 4802 1 13 . 1 1 105 105 ARG C C 105 174.184 174.184 174.998 -0.814 19939 4803 1 13 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.900 0.844 19939 4804 1 13 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.116 -0.375 19939 4805 1 13 . 1 1 105 105 ARG H H 105 7.646 7.646 7.497 0.149 19939 4806 1 13 . 1 1 106 106 PHE N N 106 117.619 117.619 120.171 -2.552 19939 4807 1 13 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.753 0.670 19939 4808 1 13 . 1 1 106 106 PHE C C 106 175.443 175.443 175.852 -0.409 19939 4809 1 13 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.741 -0.553 19939 4810 1 13 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.130 1.398 19939 4811 1 13 . 1 1 106 106 PHE H H 106 8.745 8.745 8.520 0.225 19939 4812 1 13 . 1 1 107 107 ASP N N 107 119.340 119.340 125.671 -6.331 19939 4813 1 13 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.250 -0.072 19939 4814 1 13 . 1 1 107 107 ASP C C 107 173.615 173.615 174.542 -0.927 19939 4815 1 13 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.981 -0.278 19939 4816 1 13 . 1 1 107 107 ASP CB C 107 45.290 45.290 44.337 0.953 19939 4817 1 13 . 1 1 107 107 ASP H H 107 8.858 8.858 8.700 0.158 19939 4818 1 13 . 1 1 108 108 VAL N N 108 121.639 121.639 117.631 4.008 19939 4819 1 13 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.338 -0.425 19939 4820 1 13 . 1 1 108 108 VAL C C 108 174.762 174.762 174.027 0.735 19939 4821 1 13 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.232 0.600 19939 4822 1 13 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.832 -1.893 19939 4823 1 13 . 1 1 108 108 VAL H H 108 8.550 8.550 8.575 -0.025 19939 4824 1 13 . 1 1 109 109 TYR N N 109 121.685 121.685 118.136 3.549 19939 4825 1 13 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.052 0.367 19939 4826 1 13 . 1 1 109 109 TYR C C 109 173.430 173.430 173.365 0.065 19939 4827 1 13 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.349 -0.889 19939 4828 1 13 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.295 1.746 19939 4829 1 13 . 1 1 109 109 TYR H H 109 8.894 8.894 8.354 0.540 19939 4830 1 13 . 1 1 110 110 PHE N N 110 117.355 117.355 116.471 0.884 19939 4831 1 13 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.747 0.098 19939 4832 1 13 . 1 1 110 110 PHE C C 110 175.425 175.425 174.642 0.783 19939 4833 1 13 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.785 1.912 19939 4834 1 13 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.523 2.595 19939 4835 1 13 . 1 1 110 110 PHE H H 110 8.898 8.898 7.311 1.587 19939 4836 1 13 . 1 1 111 111 ILE N N 111 121.807 121.807 121.826 -0.019 19939 4837 1 13 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.127 0.103 19939 4838 1 13 . 1 1 111 111 ILE C C 111 176.355 176.355 176.141 0.214 19939 4839 1 13 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.989 -0.010 19939 4840 1 13 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.931 -1.030 19939 4841 1 13 . 1 1 111 111 ILE H H 111 9.660 9.660 8.897 0.763 19939 4842 1 13 . 1 1 112 112 SER N N 112 126.063 126.063 123.179 2.884 19939 4843 1 13 . 1 1 112 112 SER HA H 112 3.051 3.051 3.854 -0.803 19939 4844 1 13 . 1 1 112 112 SER CA C 112 56.697 56.697 56.646 0.051 19939 4845 1 13 . 1 1 112 112 SER CB C 112 63.153 63.153 61.723 1.430 19939 4846 1 13 . 1 1 112 112 SER H H 112 9.416 9.416 8.620 0.796 19939 4847 1 13 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.134 0.125 19939 4848 1 13 . 1 1 113 113 PRO C C 113 177.214 177.214 177.720 -0.506 19939 4849 1 13 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.219 -0.305 19939 4850 1 13 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.598 -0.170 19939 4851 1 13 . 1 1 114 114 GLN N N 114 112.298 112.298 115.936 -3.638 19939 4852 1 13 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.249 0.134 19939 4853 1 13 . 1 1 114 114 GLN C C 114 175.990 175.990 176.903 -0.913 19939 4854 1 13 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.855 -0.041 19939 4855 1 13 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.311 0.338 19939 4856 1 13 . 1 1 114 114 GLN H H 114 7.175 7.175 8.109 -0.934 19939 4857 1 13 . 1 1 115 115 GLY N N 115 108.911 108.911 106.240 2.671 19939 4858 1 13 . 1 1 115 115 GLY C C 115 174.162 174.162 173.459 0.703 19939 4859 1 13 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.169 0.150 19939 4860 1 13 . 1 1 115 115 GLY H H 115 8.150 8.150 8.004 0.146 19939 4861 1 13 . 1 1 116 116 LEU N N 116 121.038 121.038 121.223 -0.185 19939 4862 1 13 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.129 0.053 19939 4863 1 13 . 1 1 116 116 LEU C C 116 175.187 175.187 175.725 -0.538 19939 4864 1 13 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.108 0.664 19939 4865 1 13 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.430 0.113 19939 4866 1 13 . 1 1 116 116 LEU H H 116 7.166 7.166 7.467 -0.301 19939 4867 1 13 . 1 1 117 117 LYS N N 117 121.584 121.584 120.350 1.234 19939 4868 1 13 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.795 0.474 19939 4869 1 13 . 1 1 117 117 LYS C C 117 175.984 175.984 174.832 1.152 19939 4870 1 13 . 1 1 117 117 LYS CA C 117 55.433 55.433 54.738 0.695 19939 4871 1 13 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.522 0.041 19939 4872 1 13 . 1 1 117 117 LYS H H 117 8.238 8.238 7.726 0.512 19939 4873 1 13 . 1 1 118 118 PHE N N 118 121.828 121.828 120.226 1.602 19939 4874 1 13 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.553 0.359 19939 4875 1 13 . 1 1 118 118 PHE C C 118 176.449 176.449 174.232 2.217 19939 4876 1 13 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.204 0.802 19939 4877 1 13 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.741 0.227 19939 4878 1 13 . 1 1 118 118 PHE H H 118 9.639 9.639 7.923 1.716 19939 4879 1 13 . 1 1 119 119 ARG N N 119 119.546 119.546 119.497 0.049 19939 4880 1 13 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.483 0.628 19939 4881 1 13 . 1 1 119 119 ARG C C 119 174.704 174.704 175.066 -0.362 19939 4882 1 13 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.804 -0.633 19939 4883 1 13 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.713 0.107 19939 4884 1 13 . 1 1 119 119 ARG H H 119 9.589 9.589 8.514 1.075 19939 4885 1 13 . 1 1 120 120 SER N N 120 110.737 110.737 115.936 -5.199 19939 4886 1 13 . 1 1 120 120 SER HA H 120 4.341 4.341 4.910 -0.569 19939 4887 1 13 . 1 1 120 120 SER C C 120 172.793 172.793 174.746 -1.953 19939 4888 1 13 . 1 1 120 120 SER CA C 120 56.032 56.032 57.277 -1.245 19939 4889 1 13 . 1 1 120 120 SER CB C 120 66.492 66.492 66.125 0.367 19939 4890 1 13 . 1 1 120 120 SER H H 120 7.625 7.625 7.904 -0.279 19939 4891 1 13 . 1 1 121 121 LYS N N 121 125.451 125.451 125.180 0.271 19939 4892 1 13 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.224 -0.590 19939 4893 1 13 . 1 1 121 121 LYS C C 121 178.826 178.826 178.562 0.264 19939 4894 1 13 . 1 1 121 121 LYS CA C 121 59.635 59.635 60.010 -0.375 19939 4895 1 13 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.495 -1.341 19939 4896 1 13 . 1 1 121 121 LYS H H 121 8.816 8.816 9.081 -0.265 19939 4897 1 13 . 1 1 122 122 SER N N 122 115.374 115.374 115.250 0.124 19939 4898 1 13 . 1 1 122 122 SER HA H 122 4.136 4.136 4.240 -0.104 19939 4899 1 13 . 1 1 122 122 SER C C 122 177.427 177.427 176.465 0.962 19939 4900 1 13 . 1 1 122 122 SER CA C 122 61.492 61.492 61.780 -0.288 19939 4901 1 13 . 1 1 122 122 SER CB C 122 62.342 62.342 62.607 -0.265 19939 4902 1 13 . 1 1 122 122 SER H H 122 8.834 8.834 8.456 0.378 19939 4903 1 13 . 1 1 123 123 SER N N 123 118.263 118.263 117.485 0.778 19939 4904 1 13 . 1 1 123 123 SER HA H 123 4.418 4.418 4.285 0.133 19939 4905 1 13 . 1 1 123 123 SER C C 123 178.017 178.017 176.324 1.693 19939 4906 1 13 . 1 1 123 123 SER CA C 123 61.540 61.540 61.888 -0.348 19939 4907 1 13 . 1 1 123 123 SER CB C 123 62.967 62.967 63.018 -0.051 19939 4908 1 13 . 1 1 123 123 SER H H 123 8.043 8.043 8.342 -0.299 19939 4909 1 13 . 1 1 124 124 LEU N N 124 126.780 126.780 123.029 3.751 19939 4910 1 13 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.563 0.085 19939 4911 1 13 . 1 1 124 124 LEU C C 124 177.987 177.987 177.516 0.471 19939 4912 1 13 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.696 0.567 19939 4913 1 13 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.541 0.760 19939 4914 1 13 . 1 1 124 124 LEU H H 124 7.686 7.686 7.685 0.001 19939 4915 1 13 . 1 1 125 125 ALA N N 125 121.665 121.665 120.621 1.044 19939 4916 1 13 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.955 -0.265 19939 4917 1 13 . 1 1 125 125 ALA C C 125 180.032 180.032 179.647 0.385 19939 4918 1 13 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.240 0.447 19939 4919 1 13 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.389 -0.509 19939 4920 1 13 . 1 1 125 125 ALA H H 125 8.912 8.912 8.534 0.378 19939 4921 1 13 . 1 1 126 126 ASN N N 126 115.720 115.720 117.743 -2.023 19939 4922 1 13 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.576 -0.083 19939 4923 1 13 . 1 1 126 126 ASN C C 126 177.174 177.174 177.169 0.005 19939 4924 1 13 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.775 0.596 19939 4925 1 13 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.392 0.132 19939 4926 1 13 . 1 1 126 126 ASN H H 126 7.963 7.963 8.200 -0.237 19939 4927 1 13 . 1 1 127 127 TYR N N 127 121.605 121.605 122.731 -1.126 19939 4928 1 13 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.195 0.094 19939 4929 1 13 . 1 1 127 127 TYR C C 127 177.895 177.895 177.698 0.197 19939 4930 1 13 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.863 -0.287 19939 4931 1 13 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.226 0.825 19939 4932 1 13 . 1 1 127 127 TYR H H 127 7.746 7.746 8.504 -0.758 19939 4933 1 13 . 1 1 128 128 LEU N N 128 119.365 119.365 117.921 1.444 19939 4934 1 13 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.467 0.331 19939 4935 1 13 . 1 1 128 128 LEU C C 128 179.418 179.418 178.698 0.720 19939 4936 1 13 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.478 0.258 19939 4937 1 13 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.486 -0.593 19939 4938 1 13 . 1 1 128 128 LEU H H 128 8.600 8.600 7.960 0.640 19939 4939 1 13 . 1 1 129 129 HIS N N 129 115.982 115.982 118.489 -2.507 19939 4940 1 13 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.167 0.347 19939 4941 1 13 . 1 1 129 129 HIS C C 129 178.014 178.014 177.778 0.236 19939 4942 1 13 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.924 -1.846 19939 4943 1 13 . 1 1 129 129 HIS CB C 129 29.346 29.346 30.094 -0.748 19939 4944 1 13 . 1 1 129 129 HIS H H 129 8.041 8.041 7.687 0.354 19939 4945 1 13 . 1 1 130 130 LYS N N 130 119.804 119.804 118.279 1.525 19939 4946 1 13 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.110 -0.028 19939 4947 1 13 . 1 1 130 130 LYS C C 130 177.320 177.320 178.701 -1.381 19939 4948 1 13 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.693 -0.332 19939 4949 1 13 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.428 0.142 19939 4950 1 13 . 1 1 130 130 LYS H H 130 8.136 8.136 8.415 -0.279 19939 4951 1 13 . 1 1 131 131 ASN N N 131 115.918 115.918 115.038 0.880 19939 4952 1 13 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.606 0.050 19939 4953 1 13 . 1 1 131 131 ASN C C 131 175.335 175.335 176.043 -0.708 19939 4954 1 13 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.987 -0.397 19939 4955 1 13 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.778 0.502 19939 4956 1 13 . 1 1 131 131 ASN H H 131 7.663 7.663 7.584 0.079 19939 4957 1 13 . 1 1 132 132 GLY N N 132 108.472 108.472 107.329 1.143 19939 4958 1 13 . 1 1 132 132 GLY C C 132 174.647 174.647 174.087 0.560 19939 4959 1 13 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.376 0.953 19939 4960 1 13 . 1 1 132 132 GLY H H 132 7.854 7.854 7.346 0.508 19939 4961 1 13 . 1 1 133 133 GLU N N 133 120.028 120.028 121.224 -1.196 19939 4962 1 13 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.477 -0.117 19939 4963 1 13 . 1 1 133 133 GLU C C 133 177.324 177.324 175.734 1.590 19939 4964 1 13 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.516 1.196 19939 4965 1 13 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.851 0.038 19939 4966 1 13 . 1 1 133 133 GLU H H 133 8.142 8.142 7.548 0.594 19939 4967 1 13 . 1 1 134 134 THR N N 134 114.986 114.986 116.270 -1.284 19939 4968 1 13 . 1 1 134 134 THR HA H 134 4.362 4.362 4.463 -0.101 19939 4969 1 13 . 1 1 134 134 THR C C 134 174.926 174.926 175.405 -0.479 19939 4970 1 13 . 1 1 134 134 THR CA C 134 62.028 62.028 61.658 0.370 19939 4971 1 13 . 1 1 134 134 THR CB C 134 69.927 69.927 69.249 0.678 19939 4972 1 13 . 1 1 134 134 THR H H 134 8.363 8.363 8.266 0.097 19939 4973 1 13 . 1 1 135 135 SER N N 135 118.353 118.353 117.324 1.029 19939 4974 1 13 . 1 1 135 135 SER HA H 135 4.530 4.530 4.331 0.199 19939 4975 1 13 . 1 1 135 135 SER C C 135 174.284 174.284 174.404 -0.120 19939 4976 1 13 . 1 1 135 135 SER CA C 135 59.506 59.506 60.763 -1.257 19939 4977 1 13 . 1 1 135 135 SER CB C 135 63.812 63.812 63.143 0.669 19939 4978 1 13 . 1 1 135 135 SER H H 135 8.580 8.580 8.365 0.215 19939 4979 1 13 . 1 1 136 136 LEU N N 136 122.995 122.995 121.397 1.598 19939 4980 1 13 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.358 0.098 19939 4981 1 13 . 1 1 136 136 LEU C C 136 175.105 175.105 176.238 -1.133 19939 4982 1 13 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.233 -0.712 19939 4983 1 13 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.563 1.913 19939 4984 1 13 . 1 1 136 136 LEU H H 136 8.048 8.048 7.973 0.075 19939 4985 1 13 . 1 1 137 137 LYS N N 137 121.086 121.086 120.304 0.782 19939 4986 1 13 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.318 -0.252 19939 4987 1 13 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.267 -0.066 19939 4988 1 13 . 1 1 137 137 LYS H H 137 8.786 8.786 8.143 0.643 19939 4989 1 13 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.379 -0.423 19939 4990 1 13 . 1 1 138 138 PRO C C 138 177.652 177.652 178.137 -0.485 19939 4991 1 13 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.350 0.687 19939 4992 1 13 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.870 -0.401 19939 4993 1 13 . 1 1 139 139 GLU N N 139 113.380 113.380 114.964 -1.584 19939 4994 1 13 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.879 0.266 19939 4995 1 13 . 1 1 139 139 GLU C C 139 176.688 176.688 177.180 -0.492 19939 4996 1 13 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.833 0.938 19939 4997 1 13 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.061 0.473 19939 4998 1 13 . 1 1 139 139 GLU H H 139 8.889 8.889 8.391 0.498 19939 4999 1 13 . 1 1 140 140 ASP N N 140 119.519 119.519 117.794 1.725 19939 5000 1 13 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.365 -0.062 19939 5001 1 13 . 1 1 140 140 ASP C C 140 174.537 174.537 175.941 -1.404 19939 5002 1 13 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.697 0.211 19939 5003 1 13 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.590 -0.717 19939 5004 1 13 . 1 1 140 140 ASP H H 140 8.027 8.027 8.054 -0.027 19939 5005 1 13 . 1 1 141 141 PHE N N 141 118.825 118.825 117.079 1.746 19939 5006 1 13 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.449 -0.582 19939 5007 1 13 . 1 1 141 141 PHE C C 141 173.522 173.522 173.664 -0.142 19939 5008 1 13 . 1 1 141 141 PHE CA C 141 57.268 57.268 55.982 1.286 19939 5009 1 13 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.146 0.333 19939 5010 1 13 . 1 1 141 141 PHE H H 141 7.539 7.539 7.191 0.348 19939 5011 1 13 . 1 1 142 142 ASP N N 142 122.733 122.733 124.850 -2.117 19939 5012 1 13 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.497 0.385 19939 5013 1 13 . 1 1 142 142 ASP C C 142 176.424 176.424 175.464 0.960 19939 5014 1 13 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.674 0.949 19939 5015 1 13 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.317 -1.634 19939 5016 1 13 . 1 1 142 142 ASP H H 142 8.546 8.546 8.222 0.324 19939 5017 1 13 . 1 1 143 143 PHE N N 143 127.545 127.545 122.452 5.093 19939 5018 1 13 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.352 0.156 19939 5019 1 13 . 1 1 143 143 PHE C C 143 174.878 174.878 175.771 -0.893 19939 5020 1 13 . 1 1 143 143 PHE CA C 143 59.002 59.002 59.804 -0.802 19939 5021 1 13 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.070 0.434 19939 5022 1 13 . 1 1 143 143 PHE H H 143 9.406 9.406 8.278 1.128 19939 5023 1 13 . 1 1 144 144 THR N N 144 114.719 114.719 110.815 3.904 19939 5024 1 13 . 1 1 144 144 THR HA H 144 4.581 4.581 4.096 0.484 19939 5025 1 13 . 1 1 144 144 THR CA C 144 62.519 62.519 63.294 -0.775 19939 5026 1 13 . 1 1 144 144 THR CB C 144 70.241 70.241 67.820 2.421 19939 5027 1 13 . 1 1 144 144 THR H H 144 8.360 8.360 8.370 -0.010 19939 5028 1 13 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.667 0.325 19939 5029 1 13 . 1 1 145 145 VAL C C 145 176.097 176.097 175.211 0.886 19939 5030 1 13 . 1 1 145 145 VAL CA C 145 62.742 62.742 65.436 -2.694 19939 5031 1 13 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.170 1.345 19939 5032 1 13 . 1 1 145 145 VAL H H 145 8.856 8.856 7.806 1.050 19939 5033 1 13 . 1 1 146 146 LEU N N 146 124.454 124.454 119.186 5.268 19939 5034 1 13 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.509 -0.143 19939 5035 1 13 . 1 1 146 146 LEU C C 146 176.924 176.924 176.327 0.597 19939 5036 1 13 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.989 -0.026 19939 5037 1 13 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.603 -0.165 19939 5038 1 13 . 1 1 146 146 LEU H H 146 8.082 8.082 7.795 0.287 19939 5039 1 13 . 1 1 147 147 SER N N 147 117.581 117.581 118.944 -1.363 19939 5040 1 13 . 1 1 147 147 SER HA H 147 4.589 4.589 4.409 0.180 19939 5041 1 13 . 1 1 147 147 SER C C 147 173.419 173.419 174.380 -0.961 19939 5042 1 13 . 1 1 147 147 SER CA C 147 58.281 58.281 58.986 -0.705 19939 5043 1 13 . 1 1 147 147 SER CB C 147 63.886 63.886 63.449 0.437 19939 5044 1 13 . 1 1 147 147 SER H H 147 8.216 8.216 8.159 0.057 19939 5045 1 14 . 1 1 79 79 SER C C 79 174.960 174.960 174.092 0.868 19939 5046 1 14 . 1 1 79 79 SER CA C 79 58.539 58.539 59.302 -0.763 19939 5047 1 14 . 1 1 79 79 SER CB C 79 64.005 64.005 63.038 0.967 19939 5048 1 14 . 1 1 80 80 THR N N 80 115.664 115.664 112.436 3.228 19939 5049 1 14 . 1 1 80 80 THR HA H 80 4.389 4.389 4.403 -0.014 19939 5050 1 14 . 1 1 80 80 THR C C 80 174.574 174.574 174.408 0.166 19939 5051 1 14 . 1 1 80 80 THR CA C 80 62.123 62.123 61.719 0.404 19939 5052 1 14 . 1 1 80 80 THR CB C 80 69.660 69.660 69.341 0.319 19939 5053 1 14 . 1 1 80 80 THR H H 80 8.340 8.340 8.188 0.152 19939 5054 1 14 . 1 1 81 81 GLU N N 81 123.120 123.120 122.152 0.968 19939 5055 1 14 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.438 -0.123 19939 5056 1 14 . 1 1 81 81 GLU C C 81 176.123 176.123 177.080 -0.957 19939 5057 1 14 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.289 0.383 19939 5058 1 14 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.041 0.219 19939 5059 1 14 . 1 1 81 81 GLU H H 81 8.434 8.434 8.087 0.347 19939 5060 1 14 . 1 1 82 82 CYS N N 82 120.924 120.924 121.143 -0.219 19939 5061 1 14 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.419 0.066 19939 5062 1 14 . 1 1 82 82 CYS C C 82 174.341 174.341 175.569 -1.228 19939 5063 1 14 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.464 -0.008 19939 5064 1 14 . 1 1 82 82 CYS CB C 82 27.989 27.989 29.366 -1.377 19939 5065 1 14 . 1 1 82 82 CYS H H 82 8.392 8.392 8.677 -0.285 19939 5066 1 14 . 1 1 83 83 ARG N N 83 124.156 124.156 119.438 4.718 19939 5067 1 14 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.349 0.018 19939 5068 1 14 . 1 1 83 83 ARG C C 83 176.140 176.140 175.598 0.542 19939 5069 1 14 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.904 -0.635 19939 5070 1 14 . 1 1 83 83 ARG CB C 83 30.862 30.862 31.282 -0.420 19939 5071 1 14 . 1 1 83 83 ARG H H 83 8.478 8.478 8.856 -0.378 19939 5072 1 14 . 1 1 84 84 LYS N N 84 122.766 122.766 117.250 5.516 19939 5073 1 14 . 1 1 84 84 LYS C C 84 176.555 176.555 174.314 2.241 19939 5074 1 14 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.441 -0.466 19939 5075 1 14 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.981 1.353 19939 5076 1 14 . 1 1 84 84 LYS H H 84 8.413 8.413 7.776 0.637 19939 5077 1 14 . 1 1 85 85 SER N N 85 118.305 118.305 114.924 3.381 19939 5078 1 14 . 1 1 85 85 SER HA H 85 4.408 4.408 4.574 -0.166 19939 5079 1 14 . 1 1 85 85 SER C C 85 173.669 173.669 172.887 0.782 19939 5080 1 14 . 1 1 85 85 SER CA C 85 58.288 58.288 59.065 -0.777 19939 5081 1 14 . 1 1 85 85 SER CB C 85 63.932 63.932 65.983 -2.051 19939 5082 1 14 . 1 1 85 85 SER H H 85 8.440 8.440 8.194 0.246 19939 5083 1 14 . 1 1 86 86 VAL N N 86 123.628 123.628 123.207 0.421 19939 5084 1 14 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.439 -0.154 19939 5085 1 14 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.428 0.741 19939 5086 1 14 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.633 0.747 19939 5087 1 14 . 1 1 86 86 VAL H H 86 8.279 8.279 7.513 0.766 19939 5088 1 14 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.440 -0.239 19939 5089 1 14 . 1 1 87 87 PRO C C 87 175.673 175.673 177.367 -1.694 19939 5090 1 14 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.658 0.964 19939 5091 1 14 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.287 -0.247 19939 5092 1 14 . 1 1 88 88 CYS N N 88 120.983 120.983 123.050 -2.067 19939 5093 1 14 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.380 -0.136 19939 5094 1 14 . 1 1 88 88 CYS C C 88 176.345 176.345 176.126 0.219 19939 5095 1 14 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.078 0.084 19939 5096 1 14 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.408 -1.488 19939 5097 1 14 . 1 1 88 88 CYS H H 88 8.393 8.393 8.749 -0.356 19939 5098 1 14 . 1 1 89 89 GLY N N 89 115.997 115.997 112.302 3.695 19939 5099 1 14 . 1 1 89 89 GLY C C 89 174.168 174.168 173.391 0.777 19939 5100 1 14 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.855 0.595 19939 5101 1 14 . 1 1 89 89 GLY H H 89 9.011 9.011 8.635 0.376 19939 5102 1 14 . 1 1 90 90 TRP N N 90 121.603 121.603 120.171 1.432 19939 5103 1 14 . 1 1 90 90 TRP HA H 90 4.972 4.972 4.942 0.030 19939 5104 1 14 . 1 1 90 90 TRP C C 90 175.327 175.327 176.629 -1.302 19939 5105 1 14 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.701 0.768 19939 5106 1 14 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.662 -1.157 19939 5107 1 14 . 1 1 90 90 TRP H H 90 8.406 8.406 7.467 0.939 19939 5108 1 14 . 1 1 91 91 GLU N N 91 119.691 119.691 121.080 -1.389 19939 5109 1 14 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.813 0.038 19939 5110 1 14 . 1 1 91 91 GLU C C 91 174.309 174.309 175.734 -1.425 19939 5111 1 14 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.390 -0.325 19939 5112 1 14 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.360 1.053 19939 5113 1 14 . 1 1 91 91 GLU H H 91 8.963 8.963 8.542 0.421 19939 5114 1 14 . 1 1 92 92 ARG N N 92 126.749 126.749 121.641 5.108 19939 5115 1 14 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.816 -0.381 19939 5116 1 14 . 1 1 92 92 ARG C C 92 174.635 174.635 175.219 -0.584 19939 5117 1 14 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.261 -0.430 19939 5118 1 14 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.822 1.331 19939 5119 1 14 . 1 1 92 92 ARG H H 92 8.944 8.944 8.541 0.403 19939 5120 1 14 . 1 1 93 93 VAL N N 93 130.450 130.450 124.968 5.482 19939 5121 1 14 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.317 -0.188 19939 5122 1 14 . 1 1 93 93 VAL C C 93 173.391 173.391 174.042 -0.651 19939 5123 1 14 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.887 0.667 19939 5124 1 14 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.747 -0.421 19939 5125 1 14 . 1 1 93 93 VAL H H 93 9.096 9.096 8.233 0.863 19939 5126 1 14 . 1 1 94 94 VAL N N 94 125.534 125.534 121.765 3.769 19939 5127 1 14 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.166 -0.511 19939 5128 1 14 . 1 1 94 94 VAL C C 94 175.830 175.830 175.065 0.765 19939 5129 1 14 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.026 1.269 19939 5130 1 14 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.626 -0.562 19939 5131 1 14 . 1 1 94 94 VAL H H 94 8.341 8.341 8.251 0.090 19939 5132 1 14 . 1 1 95 95 LYS N N 95 128.357 128.357 126.961 1.396 19939 5133 1 14 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.713 0.171 19939 5134 1 14 . 1 1 95 95 LYS C C 95 175.169 175.169 175.273 -0.104 19939 5135 1 14 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.154 -0.418 19939 5136 1 14 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.057 1.133 19939 5137 1 14 . 1 1 95 95 LYS H H 95 9.158 9.158 8.928 0.230 19939 5138 1 14 . 1 1 96 96 GLN N N 96 128.341 128.341 124.036 4.305 19939 5139 1 14 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.409 0.061 19939 5140 1 14 . 1 1 96 96 GLN C C 96 175.665 175.665 175.868 -0.203 19939 5141 1 14 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.817 -0.010 19939 5142 1 14 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.040 0.079 19939 5143 1 14 . 1 1 96 96 GLN H H 96 8.943 8.943 8.580 0.363 19939 5144 1 14 . 1 1 97 97 ARG N N 97 127.147 127.147 126.177 0.970 19939 5145 1 14 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.337 0.102 19939 5146 1 14 . 1 1 97 97 ARG C C 97 178.214 178.214 176.382 1.832 19939 5147 1 14 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.362 1.357 19939 5148 1 14 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.747 -0.422 19939 5149 1 14 . 1 1 97 97 ARG H H 97 9.117 9.117 8.454 0.663 19939 5150 1 14 . 1 1 98 98 LEU N N 98 125.934 125.934 124.006 1.928 19939 5151 1 14 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.134 0.208 19939 5152 1 14 . 1 1 98 98 LEU C C 98 176.647 176.647 175.909 0.738 19939 5153 1 14 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.556 1.127 19939 5154 1 14 . 1 1 98 98 LEU CB C 98 44.063 44.063 42.066 1.996 19939 5155 1 14 . 1 1 98 98 LEU H H 98 9.054 9.054 8.701 0.353 19939 5156 1 14 . 1 1 99 99 PHE N N 99 119.325 119.325 118.556 0.769 19939 5157 1 14 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.664 0.287 19939 5158 1 14 . 1 1 99 99 PHE C C 99 173.854 173.854 175.255 -1.401 19939 5159 1 14 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.043 -0.339 19939 5160 1 14 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.038 1.717 19939 5161 1 14 . 1 1 99 99 PHE H H 99 8.245 8.245 7.602 0.643 19939 5162 1 14 . 1 1 100 100 GLY N N 100 104.714 104.714 110.181 -5.467 19939 5163 1 14 . 1 1 100 100 GLY C C 100 176.173 176.173 174.361 1.812 19939 5164 1 14 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.455 -0.331 19939 5165 1 14 . 1 1 100 100 GLY H H 100 8.111 8.111 7.926 0.185 19939 5166 1 14 . 1 1 101 101 LYS N N 101 122.597 122.597 120.709 1.888 19939 5167 1 14 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.117 -0.005 19939 5168 1 14 . 1 1 101 101 LYS C C 101 179.615 179.615 177.404 2.211 19939 5169 1 14 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.019 1.651 19939 5170 1 14 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.612 0.162 19939 5171 1 14 . 1 1 101 101 LYS H H 101 9.134 9.134 8.569 0.565 19939 5172 1 14 . 1 1 102 102 THR N N 102 108.650 108.650 109.163 -0.513 19939 5173 1 14 . 1 1 102 102 THR HA H 102 4.339 4.339 4.265 0.074 19939 5174 1 14 . 1 1 102 102 THR C C 102 172.966 172.966 174.366 -1.400 19939 5175 1 14 . 1 1 102 102 THR CA C 102 61.304 61.304 61.960 -0.656 19939 5176 1 14 . 1 1 102 102 THR CB C 102 68.948 68.948 68.524 0.424 19939 5177 1 14 . 1 1 102 102 THR H H 102 8.982 8.982 7.678 1.304 19939 5178 1 14 . 1 1 103 103 ALA N N 103 123.171 123.171 123.300 -0.129 19939 5179 1 14 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.740 -0.373 19939 5180 1 14 . 1 1 103 103 ALA C C 103 178.082 178.082 178.349 -0.267 19939 5181 1 14 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.727 0.388 19939 5182 1 14 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.882 -0.941 19939 5183 1 14 . 1 1 103 103 ALA H H 103 6.932 6.932 6.982 -0.050 19939 5184 1 14 . 1 1 104 104 GLY N N 104 111.443 111.443 107.420 4.023 19939 5185 1 14 . 1 1 104 104 GLY C C 104 175.274 175.274 174.296 0.978 19939 5186 1 14 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.679 -0.195 19939 5187 1 14 . 1 1 104 104 GLY H H 104 8.545 8.545 8.333 0.212 19939 5188 1 14 . 1 1 105 105 ARG N N 105 119.647 119.647 120.298 -0.651 19939 5189 1 14 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.393 0.024 19939 5190 1 14 . 1 1 105 105 ARG C C 105 174.184 174.184 174.574 -0.390 19939 5191 1 14 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.280 1.464 19939 5192 1 14 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.494 -0.753 19939 5193 1 14 . 1 1 105 105 ARG H H 105 7.646 7.646 7.428 0.218 19939 5194 1 14 . 1 1 106 106 PHE N N 106 117.619 117.619 117.845 -0.226 19939 5195 1 14 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.714 0.709 19939 5196 1 14 . 1 1 106 106 PHE C C 106 175.443 175.443 175.254 0.189 19939 5197 1 14 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.636 -0.448 19939 5198 1 14 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.999 1.529 19939 5199 1 14 . 1 1 106 106 PHE H H 106 8.745 8.745 8.434 0.311 19939 5200 1 14 . 1 1 107 107 ASP N N 107 119.340 119.340 125.363 -6.023 19939 5201 1 14 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.231 -0.053 19939 5202 1 14 . 1 1 107 107 ASP C C 107 173.615 173.615 174.673 -1.058 19939 5203 1 14 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.999 -0.297 19939 5204 1 14 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.702 1.588 19939 5205 1 14 . 1 1 107 107 ASP H H 107 8.858 8.858 8.516 0.342 19939 5206 1 14 . 1 1 108 108 VAL N N 108 121.639 121.639 117.982 3.657 19939 5207 1 14 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.378 -0.465 19939 5208 1 14 . 1 1 108 108 VAL C C 108 174.762 174.762 174.081 0.681 19939 5209 1 14 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.310 0.522 19939 5210 1 14 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.864 -1.925 19939 5211 1 14 . 1 1 108 108 VAL H H 108 8.550 8.550 8.556 -0.006 19939 5212 1 14 . 1 1 109 109 TYR N N 109 121.685 121.685 119.114 2.571 19939 5213 1 14 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.050 0.369 19939 5214 1 14 . 1 1 109 109 TYR C C 109 173.430 173.430 173.431 -0.001 19939 5215 1 14 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.450 -0.990 19939 5216 1 14 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.317 1.724 19939 5217 1 14 . 1 1 109 109 TYR H H 109 8.894 8.894 8.280 0.615 19939 5218 1 14 . 1 1 110 110 PHE N N 110 117.355 117.355 117.189 0.166 19939 5219 1 14 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.761 0.084 19939 5220 1 14 . 1 1 110 110 PHE C C 110 175.425 175.425 174.743 0.682 19939 5221 1 14 . 1 1 110 110 PHE CA C 110 56.697 56.697 54.858 1.839 19939 5222 1 14 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.265 2.853 19939 5223 1 14 . 1 1 110 110 PHE H H 110 8.898 8.898 7.503 1.395 19939 5224 1 14 . 1 1 111 111 ILE N N 111 121.807 121.807 122.014 -0.207 19939 5225 1 14 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.979 0.251 19939 5226 1 14 . 1 1 111 111 ILE C C 111 176.355 176.355 176.220 0.135 19939 5227 1 14 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.800 0.179 19939 5228 1 14 . 1 1 111 111 ILE CB C 111 39.901 39.901 39.657 0.244 19939 5229 1 14 . 1 1 111 111 ILE H H 111 9.660 9.660 8.333 1.327 19939 5230 1 14 . 1 1 112 112 SER N N 112 126.063 126.063 123.097 2.966 19939 5231 1 14 . 1 1 112 112 SER HA H 112 3.051 3.051 3.787 -0.736 19939 5232 1 14 . 1 1 112 112 SER CA C 112 56.697 56.697 57.138 -0.441 19939 5233 1 14 . 1 1 112 112 SER CB C 112 63.153 63.153 62.952 0.201 19939 5234 1 14 . 1 1 112 112 SER H H 112 9.416 9.416 8.550 0.866 19939 5235 1 14 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.145 0.114 19939 5236 1 14 . 1 1 113 113 PRO C C 113 177.214 177.214 177.357 -0.143 19939 5237 1 14 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.854 0.060 19939 5238 1 14 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.636 -0.208 19939 5239 1 14 . 1 1 114 114 GLN N N 114 112.298 112.298 115.576 -3.278 19939 5240 1 14 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.211 0.172 19939 5241 1 14 . 1 1 114 114 GLN C C 114 175.990 175.990 177.062 -1.072 19939 5242 1 14 . 1 1 114 114 GLN CA C 114 55.814 55.814 56.062 -0.248 19939 5243 1 14 . 1 1 114 114 GLN CB C 114 28.649 28.649 29.003 -0.354 19939 5244 1 14 . 1 1 114 114 GLN H H 114 7.175 7.175 7.719 -0.544 19939 5245 1 14 . 1 1 115 115 GLY N N 115 108.911 108.911 106.510 2.401 19939 5246 1 14 . 1 1 115 115 GLY C C 115 174.162 174.162 174.156 0.006 19939 5247 1 14 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.068 0.251 19939 5248 1 14 . 1 1 115 115 GLY H H 115 8.150 8.150 8.030 0.120 19939 5249 1 14 . 1 1 116 116 LEU N N 116 121.038 121.038 122.065 -1.027 19939 5250 1 14 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.155 0.027 19939 5251 1 14 . 1 1 116 116 LEU C C 116 175.187 175.187 175.666 -0.479 19939 5252 1 14 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.586 0.186 19939 5253 1 14 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.485 0.058 19939 5254 1 14 . 1 1 116 116 LEU H H 116 7.166 7.166 7.319 -0.153 19939 5255 1 14 . 1 1 117 117 LYS N N 117 121.584 121.584 121.736 -0.152 19939 5256 1 14 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.118 1.151 19939 5257 1 14 . 1 1 117 117 LYS C C 117 175.984 175.984 174.951 1.033 19939 5258 1 14 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.833 -0.400 19939 5259 1 14 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.508 1.054 19939 5260 1 14 . 1 1 117 117 LYS H H 117 8.238 8.238 7.884 0.354 19939 5261 1 14 . 1 1 118 118 PHE N N 118 121.828 121.828 122.881 -1.053 19939 5262 1 14 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.559 0.353 19939 5263 1 14 . 1 1 118 118 PHE C C 118 176.449 176.449 173.757 2.692 19939 5264 1 14 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.217 0.789 19939 5265 1 14 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.429 0.539 19939 5266 1 14 . 1 1 118 118 PHE H H 118 9.639 9.639 7.944 1.695 19939 5267 1 14 . 1 1 119 119 ARG N N 119 119.546 119.546 119.029 0.517 19939 5268 1 14 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.357 0.754 19939 5269 1 14 . 1 1 119 119 ARG C C 119 174.704 174.704 174.691 0.013 19939 5270 1 14 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.654 -0.483 19939 5271 1 14 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.632 0.188 19939 5272 1 14 . 1 1 119 119 ARG H H 119 9.589 9.589 8.460 1.129 19939 5273 1 14 . 1 1 120 120 SER N N 120 110.737 110.737 115.209 -4.472 19939 5274 1 14 . 1 1 120 120 SER HA H 120 4.341 4.341 4.780 -0.439 19939 5275 1 14 . 1 1 120 120 SER C C 120 172.793 172.793 174.846 -2.053 19939 5276 1 14 . 1 1 120 120 SER CA C 120 56.032 56.032 57.180 -1.148 19939 5277 1 14 . 1 1 120 120 SER CB C 120 66.492 66.492 66.156 0.336 19939 5278 1 14 . 1 1 120 120 SER H H 120 7.625 7.625 7.706 -0.081 19939 5279 1 14 . 1 1 121 121 LYS N N 121 125.451 125.451 124.314 1.137 19939 5280 1 14 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.157 -0.523 19939 5281 1 14 . 1 1 121 121 LYS C C 121 178.826 178.826 178.743 0.083 19939 5282 1 14 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.645 -0.010 19939 5283 1 14 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.362 -1.208 19939 5284 1 14 . 1 1 121 121 LYS H H 121 8.816 8.816 9.045 -0.229 19939 5285 1 14 . 1 1 122 122 SER N N 122 115.374 115.374 114.690 0.684 19939 5286 1 14 . 1 1 122 122 SER HA H 122 4.136 4.136 4.281 -0.145 19939 5287 1 14 . 1 1 122 122 SER C C 122 177.427 177.427 176.598 0.829 19939 5288 1 14 . 1 1 122 122 SER CA C 122 61.492 61.492 61.658 -0.166 19939 5289 1 14 . 1 1 122 122 SER CB C 122 62.342 62.342 62.894 -0.552 19939 5290 1 14 . 1 1 122 122 SER H H 122 8.834 8.834 8.267 0.567 19939 5291 1 14 . 1 1 123 123 SER N N 123 118.263 118.263 118.208 0.055 19939 5292 1 14 . 1 1 123 123 SER HA H 123 4.418 4.418 4.226 0.192 19939 5293 1 14 . 1 1 123 123 SER C C 123 178.017 178.017 176.567 1.450 19939 5294 1 14 . 1 1 123 123 SER CA C 123 61.540 61.540 61.653 -0.113 19939 5295 1 14 . 1 1 123 123 SER CB C 123 62.967 62.967 62.860 0.107 19939 5296 1 14 . 1 1 123 123 SER H H 123 8.043 8.043 7.805 0.238 19939 5297 1 14 . 1 1 124 124 LEU N N 124 126.780 126.780 122.587 4.193 19939 5298 1 14 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.753 -0.105 19939 5299 1 14 . 1 1 124 124 LEU C C 124 177.987 177.987 177.946 0.041 19939 5300 1 14 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.743 0.520 19939 5301 1 14 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.347 0.954 19939 5302 1 14 . 1 1 124 124 LEU H H 124 7.686 7.686 7.732 -0.046 19939 5303 1 14 . 1 1 125 125 ALA N N 125 121.665 121.665 120.669 0.996 19939 5304 1 14 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.951 -0.261 19939 5305 1 14 . 1 1 125 125 ALA C C 125 180.032 180.032 179.693 0.339 19939 5306 1 14 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.216 0.471 19939 5307 1 14 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.398 -0.518 19939 5308 1 14 . 1 1 125 125 ALA H H 125 8.912 8.912 8.385 0.527 19939 5309 1 14 . 1 1 126 126 ASN N N 126 115.720 115.720 117.377 -1.657 19939 5310 1 14 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.611 -0.118 19939 5311 1 14 . 1 1 126 126 ASN C C 126 177.174 177.174 177.257 -0.083 19939 5312 1 14 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.854 0.517 19939 5313 1 14 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.574 -0.051 19939 5314 1 14 . 1 1 126 126 ASN H H 126 7.963 7.963 8.299 -0.336 19939 5315 1 14 . 1 1 127 127 TYR N N 127 121.605 121.605 122.987 -1.382 19939 5316 1 14 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.173 0.116 19939 5317 1 14 . 1 1 127 127 TYR C C 127 177.895 177.895 177.641 0.254 19939 5318 1 14 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.953 -0.377 19939 5319 1 14 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.195 0.856 19939 5320 1 14 . 1 1 127 127 TYR H H 127 7.746 7.746 8.596 -0.850 19939 5321 1 14 . 1 1 128 128 LEU N N 128 119.365 119.365 117.867 1.498 19939 5322 1 14 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.569 0.229 19939 5323 1 14 . 1 1 128 128 LEU C C 128 179.418 179.418 179.106 0.312 19939 5324 1 14 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.614 0.122 19939 5325 1 14 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.599 -0.706 19939 5326 1 14 . 1 1 128 128 LEU H H 128 8.600 8.600 8.348 0.252 19939 5327 1 14 . 1 1 129 129 HIS N N 129 115.982 115.982 118.143 -2.161 19939 5328 1 14 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.198 0.316 19939 5329 1 14 . 1 1 129 129 HIS C C 129 178.014 178.014 177.410 0.604 19939 5330 1 14 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.447 -1.369 19939 5331 1 14 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.759 -0.412 19939 5332 1 14 . 1 1 129 129 HIS H H 129 8.041 8.041 7.618 0.423 19939 5333 1 14 . 1 1 130 130 LYS N N 130 119.804 119.804 118.796 1.008 19939 5334 1 14 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.930 0.152 19939 5335 1 14 . 1 1 130 130 LYS C C 130 177.320 177.320 178.423 -1.103 19939 5336 1 14 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.630 -0.269 19939 5337 1 14 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.409 0.161 19939 5338 1 14 . 1 1 130 130 LYS H H 130 8.136 8.136 8.125 0.011 19939 5339 1 14 . 1 1 131 131 ASN N N 131 115.918 115.918 114.991 0.927 19939 5340 1 14 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.533 0.123 19939 5341 1 14 . 1 1 131 131 ASN C C 131 175.335 175.335 176.146 -0.811 19939 5342 1 14 . 1 1 131 131 ASN CA C 131 53.590 53.590 54.106 -0.516 19939 5343 1 14 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.684 0.596 19939 5344 1 14 . 1 1 131 131 ASN H H 131 7.663 7.663 7.669 -0.006 19939 5345 1 14 . 1 1 132 132 GLY N N 132 108.472 108.472 106.729 1.743 19939 5346 1 14 . 1 1 132 132 GLY C C 132 174.647 174.647 174.105 0.542 19939 5347 1 14 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.259 1.070 19939 5348 1 14 . 1 1 132 132 GLY H H 132 7.854 7.854 7.507 0.347 19939 5349 1 14 . 1 1 133 133 GLU N N 133 120.028 120.028 121.670 -1.642 19939 5350 1 14 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.526 -0.166 19939 5351 1 14 . 1 1 133 133 GLU C C 133 177.324 177.324 175.524 1.800 19939 5352 1 14 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.170 1.542 19939 5353 1 14 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.277 -0.389 19939 5354 1 14 . 1 1 133 133 GLU H H 133 8.142 8.142 7.696 0.446 19939 5355 1 14 . 1 1 134 134 THR N N 134 114.986 114.986 115.394 -0.408 19939 5356 1 14 . 1 1 134 134 THR HA H 134 4.362 4.362 4.522 -0.160 19939 5357 1 14 . 1 1 134 134 THR C C 134 174.926 174.926 175.615 -0.689 19939 5358 1 14 . 1 1 134 134 THR CA C 134 62.028 62.028 61.688 0.340 19939 5359 1 14 . 1 1 134 134 THR CB C 134 69.927 69.927 69.502 0.424 19939 5360 1 14 . 1 1 134 134 THR H H 134 8.363 8.363 8.335 0.028 19939 5361 1 14 . 1 1 135 135 SER N N 135 118.353 118.353 116.733 1.620 19939 5362 1 14 . 1 1 135 135 SER HA H 135 4.530 4.530 4.298 0.232 19939 5363 1 14 . 1 1 135 135 SER C C 135 174.284 174.284 174.784 -0.500 19939 5364 1 14 . 1 1 135 135 SER CA C 135 59.506 59.506 59.580 -0.074 19939 5365 1 14 . 1 1 135 135 SER CB C 135 63.812 63.812 63.127 0.685 19939 5366 1 14 . 1 1 135 135 SER H H 135 8.580 8.580 8.130 0.450 19939 5367 1 14 . 1 1 136 136 LEU N N 136 122.995 122.995 123.798 -0.803 19939 5368 1 14 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.326 0.130 19939 5369 1 14 . 1 1 136 136 LEU C C 136 175.105 175.105 176.421 -1.316 19939 5370 1 14 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.639 -1.118 19939 5371 1 14 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.845 1.631 19939 5372 1 14 . 1 1 136 136 LEU H H 136 8.048 8.048 7.646 0.402 19939 5373 1 14 . 1 1 137 137 LYS N N 137 121.086 121.086 124.337 -3.251 19939 5374 1 14 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.498 -0.431 19939 5375 1 14 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.641 0.560 19939 5376 1 14 . 1 1 137 137 LYS H H 137 8.786 8.786 8.549 0.237 19939 5377 1 14 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.410 -0.454 19939 5378 1 14 . 1 1 138 138 PRO C C 138 177.652 177.652 178.090 -0.438 19939 5379 1 14 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.577 0.460 19939 5380 1 14 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.827 -0.358 19939 5381 1 14 . 1 1 139 139 GLU N N 139 113.380 113.380 114.466 -1.086 19939 5382 1 14 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.881 0.264 19939 5383 1 14 . 1 1 139 139 GLU C C 139 176.688 176.688 176.786 -0.098 19939 5384 1 14 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.541 1.230 19939 5385 1 14 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.499 0.035 19939 5386 1 14 . 1 1 139 139 GLU H H 139 8.889 8.889 8.256 0.633 19939 5387 1 14 . 1 1 140 140 ASP N N 140 119.519 119.519 117.392 2.127 19939 5388 1 14 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.470 -0.166 19939 5389 1 14 . 1 1 140 140 ASP C C 140 174.537 174.537 176.213 -1.676 19939 5390 1 14 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.892 0.016 19939 5391 1 14 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.329 -0.456 19939 5392 1 14 . 1 1 140 140 ASP H H 140 8.027 8.027 8.270 -0.243 19939 5393 1 14 . 1 1 141 141 PHE N N 141 118.825 118.825 117.631 1.194 19939 5394 1 14 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.376 -0.509 19939 5395 1 14 . 1 1 141 141 PHE C C 141 173.522 173.522 174.036 -0.514 19939 5396 1 14 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.723 0.545 19939 5397 1 14 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.089 0.390 19939 5398 1 14 . 1 1 141 141 PHE H H 141 7.539 7.539 7.154 0.385 19939 5399 1 14 . 1 1 142 142 ASP N N 142 122.733 122.733 125.218 -2.485 19939 5400 1 14 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.734 0.148 19939 5401 1 14 . 1 1 142 142 ASP C C 142 176.424 176.424 175.817 0.607 19939 5402 1 14 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.645 0.979 19939 5403 1 14 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.879 -1.196 19939 5404 1 14 . 1 1 142 142 ASP H H 142 8.546 8.546 8.481 0.065 19939 5405 1 14 . 1 1 143 143 PHE N N 143 127.545 127.545 122.486 5.059 19939 5406 1 14 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.749 -0.241 19939 5407 1 14 . 1 1 143 143 PHE C C 143 174.878 174.878 175.364 -0.486 19939 5408 1 14 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.622 0.380 19939 5409 1 14 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.048 0.456 19939 5410 1 14 . 1 1 143 143 PHE H H 143 9.406 9.406 8.564 0.842 19939 5411 1 14 . 1 1 144 144 THR N N 144 114.719 114.719 116.865 -2.146 19939 5412 1 14 . 1 1 144 144 THR HA H 144 4.581 4.581 3.664 0.917 19939 5413 1 14 . 1 1 144 144 THR CA C 144 62.519 62.519 62.185 0.334 19939 5414 1 14 . 1 1 144 144 THR CB C 144 70.241 70.241 68.899 1.342 19939 5415 1 14 . 1 1 144 144 THR H H 144 8.360 8.360 6.757 1.603 19939 5416 1 14 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.818 0.174 19939 5417 1 14 . 1 1 145 145 VAL C C 145 176.097 176.097 175.412 0.685 19939 5418 1 14 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.882 -0.140 19939 5419 1 14 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.267 0.248 19939 5420 1 14 . 1 1 145 145 VAL H H 145 8.856 8.856 7.866 0.990 19939 5421 1 14 . 1 1 146 146 LEU N N 146 124.454 124.454 122.021 2.433 19939 5422 1 14 . 1 1 146 146 LEU HA H 146 4.366 4.366 3.996 0.370 19939 5423 1 14 . 1 1 146 146 LEU C C 146 176.924 176.924 176.939 -0.015 19939 5424 1 14 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.169 -1.206 19939 5425 1 14 . 1 1 146 146 LEU CB C 146 42.438 42.438 39.724 2.714 19939 5426 1 14 . 1 1 146 146 LEU H H 146 8.082 8.082 8.195 -0.113 19939 5427 1 14 . 1 1 147 147 SER N N 147 117.581 117.581 119.843 -2.262 19939 5428 1 14 . 1 1 147 147 SER HA H 147 4.589 4.589 4.193 0.396 19939 5429 1 14 . 1 1 147 147 SER C C 147 173.419 173.419 174.467 -1.048 19939 5430 1 14 . 1 1 147 147 SER CA C 147 58.281 58.281 58.236 0.045 19939 5431 1 14 . 1 1 147 147 SER CB C 147 63.886 63.886 63.660 0.226 19939 5432 1 14 . 1 1 147 147 SER H H 147 8.216 8.216 8.771 -0.555 19939 5433 1 15 . 1 1 79 79 SER C C 79 174.960 174.960 173.710 1.250 19939 5434 1 15 . 1 1 79 79 SER CA C 79 58.539 58.539 58.413 0.127 19939 5435 1 15 . 1 1 79 79 SER CB C 79 64.005 64.005 64.835 -0.830 19939 5436 1 15 . 1 1 80 80 THR N N 80 115.664 115.664 113.392 2.272 19939 5437 1 15 . 1 1 80 80 THR HA H 80 4.389 4.389 4.404 -0.015 19939 5438 1 15 . 1 1 80 80 THR C C 80 174.574 174.574 173.519 1.055 19939 5439 1 15 . 1 1 80 80 THR CA C 80 62.123 62.123 62.340 -0.217 19939 5440 1 15 . 1 1 80 80 THR CB C 80 69.660 69.660 69.318 0.342 19939 5441 1 15 . 1 1 80 80 THR H H 80 8.340 8.340 8.582 -0.241 19939 5442 1 15 . 1 1 81 81 GLU N N 81 123.120 123.120 122.206 0.914 19939 5443 1 15 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.530 -0.215 19939 5444 1 15 . 1 1 81 81 GLU C C 81 176.123 176.123 174.662 1.461 19939 5445 1 15 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.407 0.265 19939 5446 1 15 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.942 -0.682 19939 5447 1 15 . 1 1 81 81 GLU H H 81 8.434 8.434 8.198 0.236 19939 5448 1 15 . 1 1 82 82 CYS N N 82 120.924 120.924 122.605 -1.681 19939 5449 1 15 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.852 -0.367 19939 5450 1 15 . 1 1 82 82 CYS C C 82 174.341 174.341 174.269 0.072 19939 5451 1 15 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.478 0.978 19939 5452 1 15 . 1 1 82 82 CYS CB C 82 27.989 27.989 29.537 -1.548 19939 5453 1 15 . 1 1 82 82 CYS H H 82 8.392 8.392 8.212 0.180 19939 5454 1 15 . 1 1 83 83 ARG N N 83 124.156 124.156 122.012 2.144 19939 5455 1 15 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.311 0.056 19939 5456 1 15 . 1 1 83 83 ARG C C 83 176.140 176.140 175.794 0.346 19939 5457 1 15 . 1 1 83 83 ARG CA C 83 56.268 56.268 55.859 0.409 19939 5458 1 15 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.524 0.338 19939 5459 1 15 . 1 1 83 83 ARG H H 83 8.478 8.478 8.404 0.074 19939 5460 1 15 . 1 1 84 84 LYS N N 84 122.766 122.766 121.706 1.060 19939 5461 1 15 . 1 1 84 84 LYS C C 84 176.555 176.555 176.755 -0.200 19939 5462 1 15 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.208 -1.233 19939 5463 1 15 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.739 0.595 19939 5464 1 15 . 1 1 84 84 LYS H H 84 8.413 8.413 8.506 -0.093 19939 5465 1 15 . 1 1 85 85 SER N N 85 118.305 118.305 114.556 3.749 19939 5466 1 15 . 1 1 85 85 SER HA H 85 4.408 4.408 4.456 -0.048 19939 5467 1 15 . 1 1 85 85 SER C C 85 173.669 173.669 173.508 0.161 19939 5468 1 15 . 1 1 85 85 SER CA C 85 58.288 58.288 58.455 -0.167 19939 5469 1 15 . 1 1 85 85 SER CB C 85 63.932 63.932 64.774 -0.842 19939 5470 1 15 . 1 1 85 85 SER H H 85 8.440 8.440 8.524 -0.084 19939 5471 1 15 . 1 1 86 86 VAL N N 86 123.628 123.628 123.995 -0.367 19939 5472 1 15 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.513 -0.228 19939 5473 1 15 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.950 0.219 19939 5474 1 15 . 1 1 86 86 VAL CB C 86 33.380 33.380 33.272 0.108 19939 5475 1 15 . 1 1 86 86 VAL H H 86 8.279 8.279 8.171 0.108 19939 5476 1 15 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.307 -0.106 19939 5477 1 15 . 1 1 87 87 PRO C C 87 175.673 175.673 176.752 -1.079 19939 5478 1 15 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.722 0.900 19939 5479 1 15 . 1 1 87 87 PRO CB C 87 32.040 32.040 31.897 0.143 19939 5480 1 15 . 1 1 88 88 CYS N N 88 120.983 120.983 121.635 -0.652 19939 5481 1 15 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.328 -0.084 19939 5482 1 15 . 1 1 88 88 CYS C C 88 176.345 176.345 176.166 0.179 19939 5483 1 15 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.393 -0.231 19939 5484 1 15 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.016 -1.096 19939 5485 1 15 . 1 1 88 88 CYS H H 88 8.393 8.393 8.576 -0.183 19939 5486 1 15 . 1 1 89 89 GLY N N 89 115.997 115.997 113.718 2.279 19939 5487 1 15 . 1 1 89 89 GLY C C 89 174.168 174.168 173.972 0.196 19939 5488 1 15 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.082 0.368 19939 5489 1 15 . 1 1 89 89 GLY H H 89 9.011 9.011 8.687 0.324 19939 5490 1 15 . 1 1 90 90 TRP N N 90 121.603 121.603 120.869 0.734 19939 5491 1 15 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.205 -0.233 19939 5492 1 15 . 1 1 90 90 TRP C C 90 175.327 175.327 176.731 -1.404 19939 5493 1 15 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.305 1.164 19939 5494 1 15 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.482 -0.977 19939 5495 1 15 . 1 1 90 90 TRP H H 90 8.406 8.406 7.712 0.694 19939 5496 1 15 . 1 1 91 91 GLU N N 91 119.691 119.691 121.102 -1.411 19939 5497 1 15 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.874 -0.023 19939 5498 1 15 . 1 1 91 91 GLU C C 91 174.309 174.309 174.747 -0.438 19939 5499 1 15 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.186 -0.121 19939 5500 1 15 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.665 -0.252 19939 5501 1 15 . 1 1 91 91 GLU H H 91 8.963 8.963 8.392 0.571 19939 5502 1 15 . 1 1 92 92 ARG N N 92 126.749 126.749 122.948 3.801 19939 5503 1 15 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.027 -0.592 19939 5504 1 15 . 1 1 92 92 ARG C C 92 174.635 174.635 175.165 -0.530 19939 5505 1 15 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.149 -0.318 19939 5506 1 15 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.948 1.205 19939 5507 1 15 . 1 1 92 92 ARG H H 92 8.944 8.944 8.551 0.393 19939 5508 1 15 . 1 1 93 93 VAL N N 93 130.450 130.450 126.582 3.868 19939 5509 1 15 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.311 -0.182 19939 5510 1 15 . 1 1 93 93 VAL C C 93 173.391 173.391 174.030 -0.639 19939 5511 1 15 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.344 1.210 19939 5512 1 15 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.514 -1.188 19939 5513 1 15 . 1 1 93 93 VAL H H 93 9.096 9.096 8.058 1.038 19939 5514 1 15 . 1 1 94 94 VAL N N 94 125.534 125.534 120.378 5.156 19939 5515 1 15 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.021 -0.366 19939 5516 1 15 . 1 1 94 94 VAL C C 94 175.830 175.830 174.949 0.881 19939 5517 1 15 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.556 1.739 19939 5518 1 15 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.046 -0.982 19939 5519 1 15 . 1 1 94 94 VAL H H 94 8.341 8.341 8.119 0.222 19939 5520 1 15 . 1 1 95 95 LYS N N 95 128.357 128.357 124.975 3.382 19939 5521 1 15 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.729 0.155 19939 5522 1 15 . 1 1 95 95 LYS C C 95 175.169 175.169 175.062 0.107 19939 5523 1 15 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.053 -0.317 19939 5524 1 15 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.842 0.348 19939 5525 1 15 . 1 1 95 95 LYS H H 95 9.158 9.158 8.713 0.445 19939 5526 1 15 . 1 1 96 96 GLN N N 96 128.341 128.341 125.088 3.253 19939 5527 1 15 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.016 0.454 19939 5528 1 15 . 1 1 96 96 GLN C C 96 175.665 175.665 175.678 -0.013 19939 5529 1 15 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.776 -0.969 19939 5530 1 15 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.400 0.719 19939 5531 1 15 . 1 1 96 96 GLN H H 96 8.943 8.943 8.708 0.235 19939 5532 1 15 . 1 1 97 97 ARG N N 97 127.147 127.147 127.616 -0.469 19939 5533 1 15 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.297 0.142 19939 5534 1 15 . 1 1 97 97 ARG C C 97 178.214 178.214 174.776 3.438 19939 5535 1 15 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.737 0.982 19939 5536 1 15 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.411 -1.086 19939 5537 1 15 . 1 1 97 97 ARG H H 97 9.117 9.117 8.025 1.092 19939 5538 1 15 . 1 1 98 98 LEU N N 98 125.934 125.934 125.447 0.487 19939 5539 1 15 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.411 -0.069 19939 5540 1 15 . 1 1 98 98 LEU C C 98 176.647 176.647 175.565 1.082 19939 5541 1 15 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.414 1.269 19939 5542 1 15 . 1 1 98 98 LEU CB C 98 44.063 44.063 42.161 1.902 19939 5543 1 15 . 1 1 98 98 LEU H H 98 9.054 9.054 8.330 0.724 19939 5544 1 15 . 1 1 99 99 PHE N N 99 119.325 119.325 122.200 -2.875 19939 5545 1 15 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.679 0.272 19939 5546 1 15 . 1 1 99 99 PHE C C 99 173.854 173.854 175.670 -1.816 19939 5547 1 15 . 1 1 99 99 PHE CA C 99 56.704 56.704 58.349 -1.645 19939 5548 1 15 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.459 2.296 19939 5549 1 15 . 1 1 99 99 PHE H H 99 8.245 8.245 8.292 -0.047 19939 5550 1 15 . 1 1 100 100 GLY N N 100 104.714 104.714 107.886 -3.172 19939 5551 1 15 . 1 1 100 100 GLY C C 100 176.173 176.173 174.366 1.807 19939 5552 1 15 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.726 -1.602 19939 5553 1 15 . 1 1 100 100 GLY H H 100 8.111 8.111 8.482 -0.371 19939 5554 1 15 . 1 1 101 101 LYS N N 101 122.597 122.597 119.808 2.789 19939 5555 1 15 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.221 -0.109 19939 5556 1 15 . 1 1 101 101 LYS C C 101 179.615 179.615 177.240 2.375 19939 5557 1 15 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.200 1.470 19939 5558 1 15 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.197 0.577 19939 5559 1 15 . 1 1 101 101 LYS H H 101 9.134 9.134 8.251 0.883 19939 5560 1 15 . 1 1 102 102 THR N N 102 108.650 108.650 109.972 -1.322 19939 5561 1 15 . 1 1 102 102 THR HA H 102 4.339 4.339 4.355 -0.016 19939 5562 1 15 . 1 1 102 102 THR C C 102 172.966 172.966 174.350 -1.384 19939 5563 1 15 . 1 1 102 102 THR CA C 102 61.304 61.304 61.269 0.035 19939 5564 1 15 . 1 1 102 102 THR CB C 102 68.948 68.948 69.341 -0.393 19939 5565 1 15 . 1 1 102 102 THR H H 102 8.982 8.982 7.774 1.208 19939 5566 1 15 . 1 1 103 103 ALA N N 103 123.171 123.171 123.814 -0.643 19939 5567 1 15 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.915 -0.548 19939 5568 1 15 . 1 1 103 103 ALA C C 103 178.082 178.082 178.794 -0.712 19939 5569 1 15 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.914 0.201 19939 5570 1 15 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.798 -0.857 19939 5571 1 15 . 1 1 103 103 ALA H H 103 6.932 6.932 7.665 -0.733 19939 5572 1 15 . 1 1 104 104 GLY N N 104 111.443 111.443 106.734 4.709 19939 5573 1 15 . 1 1 104 104 GLY C C 104 175.274 175.274 173.800 1.474 19939 5574 1 15 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.928 -0.444 19939 5575 1 15 . 1 1 104 104 GLY H H 104 8.545 8.545 8.604 -0.059 19939 5576 1 15 . 1 1 105 105 ARG N N 105 119.647 119.647 120.939 -1.292 19939 5577 1 15 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.564 -0.147 19939 5578 1 15 . 1 1 105 105 ARG C C 105 174.184 174.184 174.404 -0.220 19939 5579 1 15 . 1 1 105 105 ARG CA C 105 56.744 56.744 54.984 1.760 19939 5580 1 15 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.922 -1.181 19939 5581 1 15 . 1 1 105 105 ARG H H 105 7.646 7.646 7.351 0.295 19939 5582 1 15 . 1 1 106 106 PHE N N 106 117.619 117.619 123.765 -6.146 19939 5583 1 15 . 1 1 106 106 PHE HA H 106 5.423 5.423 5.005 0.418 19939 5584 1 15 . 1 1 106 106 PHE C C 106 175.443 175.443 175.715 -0.272 19939 5585 1 15 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.307 -0.119 19939 5586 1 15 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.180 1.348 19939 5587 1 15 . 1 1 106 106 PHE H H 106 8.745 8.745 8.865 -0.120 19939 5588 1 15 . 1 1 107 107 ASP N N 107 119.340 119.340 125.093 -5.753 19939 5589 1 15 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.162 0.016 19939 5590 1 15 . 1 1 107 107 ASP C C 107 173.615 173.615 174.669 -1.054 19939 5591 1 15 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.962 -0.260 19939 5592 1 15 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.420 1.870 19939 5593 1 15 . 1 1 107 107 ASP H H 107 8.858 8.858 8.868 -0.010 19939 5594 1 15 . 1 1 108 108 VAL N N 108 121.639 121.639 118.580 3.059 19939 5595 1 15 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.001 -0.088 19939 5596 1 15 . 1 1 108 108 VAL C C 108 174.762 174.762 173.933 0.829 19939 5597 1 15 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.505 1.327 19939 5598 1 15 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.382 -1.443 19939 5599 1 15 . 1 1 108 108 VAL H H 108 8.550 8.550 8.422 0.128 19939 5600 1 15 . 1 1 109 109 TYR N N 109 121.685 121.685 118.029 3.656 19939 5601 1 15 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.048 0.371 19939 5602 1 15 . 1 1 109 109 TYR C C 109 173.430 173.430 173.209 0.221 19939 5603 1 15 . 1 1 109 109 TYR CA C 109 55.460 55.460 55.941 -0.481 19939 5604 1 15 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.509 2.532 19939 5605 1 15 . 1 1 109 109 TYR H H 109 8.894 8.894 7.510 1.384 19939 5606 1 15 . 1 1 110 110 PHE N N 110 117.355 117.355 118.690 -1.335 19939 5607 1 15 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.386 0.459 19939 5608 1 15 . 1 1 110 110 PHE C C 110 175.425 175.425 175.324 0.101 19939 5609 1 15 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.736 -0.039 19939 5610 1 15 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.544 2.574 19939 5611 1 15 . 1 1 110 110 PHE H H 110 8.898 8.898 8.324 0.574 19939 5612 1 15 . 1 1 111 111 ILE N N 111 121.807 121.807 123.646 -1.839 19939 5613 1 15 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.671 0.559 19939 5614 1 15 . 1 1 111 111 ILE C C 111 176.355 176.355 175.693 0.662 19939 5615 1 15 . 1 1 111 111 ILE CA C 111 59.979 59.979 58.248 1.730 19939 5616 1 15 . 1 1 111 111 ILE CB C 111 39.901 39.901 38.708 1.193 19939 5617 1 15 . 1 1 111 111 ILE H H 111 9.660 9.660 8.914 0.746 19939 5618 1 15 . 1 1 112 112 SER N N 112 126.063 126.063 123.208 2.855 19939 5619 1 15 . 1 1 112 112 SER HA H 112 3.051 3.051 4.167 -1.116 19939 5620 1 15 . 1 1 112 112 SER CA C 112 56.697 56.697 55.915 0.782 19939 5621 1 15 . 1 1 112 112 SER CB C 112 63.153 63.153 62.677 0.476 19939 5622 1 15 . 1 1 112 112 SER H H 112 9.416 9.416 8.437 0.979 19939 5623 1 15 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.248 0.011 19939 5624 1 15 . 1 1 113 113 PRO C C 113 177.214 177.214 177.252 -0.038 19939 5625 1 15 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.570 -0.656 19939 5626 1 15 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.649 -0.221 19939 5627 1 15 . 1 1 114 114 GLN N N 114 112.298 112.298 116.112 -3.814 19939 5628 1 15 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.296 0.087 19939 5629 1 15 . 1 1 114 114 GLN C C 114 175.990 175.990 176.930 -0.940 19939 5630 1 15 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.714 0.100 19939 5631 1 15 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.094 0.555 19939 5632 1 15 . 1 1 114 114 GLN H H 114 7.175 7.175 7.832 -0.657 19939 5633 1 15 . 1 1 115 115 GLY N N 115 108.911 108.911 106.370 2.541 19939 5634 1 15 . 1 1 115 115 GLY C C 115 174.162 174.162 173.977 0.185 19939 5635 1 15 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.269 0.050 19939 5636 1 15 . 1 1 115 115 GLY H H 115 8.150 8.150 8.298 -0.148 19939 5637 1 15 . 1 1 116 116 LEU N N 116 121.038 121.038 122.181 -1.143 19939 5638 1 15 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.053 0.129 19939 5639 1 15 . 1 1 116 116 LEU C C 116 175.187 175.187 175.464 -0.277 19939 5640 1 15 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.359 0.413 19939 5641 1 15 . 1 1 116 116 LEU CB C 116 42.543 42.543 41.970 0.573 19939 5642 1 15 . 1 1 116 116 LEU H H 116 7.166 7.166 7.239 -0.073 19939 5643 1 15 . 1 1 117 117 LYS N N 117 121.584 121.584 122.460 -0.876 19939 5644 1 15 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.464 0.805 19939 5645 1 15 . 1 1 117 117 LYS C C 117 175.984 175.984 174.991 0.993 19939 5646 1 15 . 1 1 117 117 LYS CA C 117 55.433 55.433 54.545 0.888 19939 5647 1 15 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.238 0.325 19939 5648 1 15 . 1 1 117 117 LYS H H 117 8.238 8.238 7.828 0.410 19939 5649 1 15 . 1 1 118 118 PHE N N 118 121.828 121.828 121.384 0.444 19939 5650 1 15 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.692 0.220 19939 5651 1 15 . 1 1 118 118 PHE C C 118 176.449 176.449 174.762 1.687 19939 5652 1 15 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.317 0.689 19939 5653 1 15 . 1 1 118 118 PHE CB C 118 42.968 42.968 41.645 1.323 19939 5654 1 15 . 1 1 118 118 PHE H H 118 9.639 9.639 7.991 1.648 19939 5655 1 15 . 1 1 119 119 ARG N N 119 119.546 119.546 121.482 -1.936 19939 5656 1 15 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.728 0.383 19939 5657 1 15 . 1 1 119 119 ARG C C 119 174.704 174.704 175.764 -1.060 19939 5658 1 15 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.881 -0.710 19939 5659 1 15 . 1 1 119 119 ARG CB C 119 31.820 31.820 32.032 -0.212 19939 5660 1 15 . 1 1 119 119 ARG H H 119 9.589 9.589 8.866 0.723 19939 5661 1 15 . 1 1 120 120 SER N N 120 110.737 110.737 115.845 -5.108 19939 5662 1 15 . 1 1 120 120 SER HA H 120 4.341 4.341 4.945 -0.604 19939 5663 1 15 . 1 1 120 120 SER C C 120 172.793 172.793 174.167 -1.374 19939 5664 1 15 . 1 1 120 120 SER CA C 120 56.032 56.032 57.433 -1.401 19939 5665 1 15 . 1 1 120 120 SER CB C 120 66.492 66.492 66.391 0.100 19939 5666 1 15 . 1 1 120 120 SER H H 120 7.625 7.625 7.808 -0.183 19939 5667 1 15 . 1 1 121 121 LYS N N 121 125.451 125.451 121.749 3.702 19939 5668 1 15 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.369 -0.735 19939 5669 1 15 . 1 1 121 121 LYS C C 121 178.826 178.826 178.737 0.089 19939 5670 1 15 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.715 -0.080 19939 5671 1 15 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.244 -1.090 19939 5672 1 15 . 1 1 121 121 LYS H H 121 8.816 8.816 9.003 -0.187 19939 5673 1 15 . 1 1 122 122 SER N N 122 115.374 115.374 115.044 0.330 19939 5674 1 15 . 1 1 122 122 SER HA H 122 4.136 4.136 4.284 -0.148 19939 5675 1 15 . 1 1 122 122 SER C C 122 177.427 177.427 176.526 0.901 19939 5676 1 15 . 1 1 122 122 SER CA C 122 61.492 61.492 61.563 -0.071 19939 5677 1 15 . 1 1 122 122 SER CB C 122 62.342 62.342 62.726 -0.384 19939 5678 1 15 . 1 1 122 122 SER H H 122 8.834 8.834 8.310 0.524 19939 5679 1 15 . 1 1 123 123 SER N N 123 118.263 118.263 118.563 -0.300 19939 5680 1 15 . 1 1 123 123 SER HA H 123 4.418 4.418 4.370 0.048 19939 5681 1 15 . 1 1 123 123 SER C C 123 178.017 178.017 176.822 1.195 19939 5682 1 15 . 1 1 123 123 SER CA C 123 61.540 61.540 61.276 0.264 19939 5683 1 15 . 1 1 123 123 SER CB C 123 62.967 62.967 62.692 0.275 19939 5684 1 15 . 1 1 123 123 SER H H 123 8.043 8.043 7.873 0.170 19939 5685 1 15 . 1 1 124 124 LEU N N 124 126.780 126.780 122.534 4.246 19939 5686 1 15 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.400 0.248 19939 5687 1 15 . 1 1 124 124 LEU C C 124 177.987 177.987 177.802 0.185 19939 5688 1 15 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.386 0.877 19939 5689 1 15 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.275 1.026 19939 5690 1 15 . 1 1 124 124 LEU H H 124 7.686 7.686 7.296 0.390 19939 5691 1 15 . 1 1 125 125 ALA N N 125 121.665 121.665 121.084 0.581 19939 5692 1 15 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.912 -0.222 19939 5693 1 15 . 1 1 125 125 ALA C C 125 180.032 180.032 179.618 0.414 19939 5694 1 15 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.154 0.533 19939 5695 1 15 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.379 -0.499 19939 5696 1 15 . 1 1 125 125 ALA H H 125 8.912 8.912 8.284 0.628 19939 5697 1 15 . 1 1 126 126 ASN N N 126 115.720 115.720 117.145 -1.425 19939 5698 1 15 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.520 -0.027 19939 5699 1 15 . 1 1 126 126 ASN C C 126 177.174 177.174 177.306 -0.132 19939 5700 1 15 . 1 1 126 126 ASN CA C 126 56.371 56.371 56.785 -0.414 19939 5701 1 15 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.739 -0.216 19939 5702 1 15 . 1 1 126 126 ASN H H 126 7.963 7.963 8.144 -0.181 19939 5703 1 15 . 1 1 127 127 TYR N N 127 121.605 121.605 122.561 -0.956 19939 5704 1 15 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.276 0.013 19939 5705 1 15 . 1 1 127 127 TYR C C 127 177.895 177.895 176.904 0.991 19939 5706 1 15 . 1 1 127 127 TYR CA C 127 61.576 61.576 60.948 0.628 19939 5707 1 15 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.307 0.744 19939 5708 1 15 . 1 1 127 127 TYR H H 127 7.746 7.746 7.886 -0.140 19939 5709 1 15 . 1 1 128 128 LEU N N 128 119.365 119.365 118.246 1.119 19939 5710 1 15 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.408 0.390 19939 5711 1 15 . 1 1 128 128 LEU C C 128 179.418 179.418 178.939 0.479 19939 5712 1 15 . 1 1 128 128 LEU CA C 128 57.736 57.736 58.098 -0.362 19939 5713 1 15 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.377 -0.484 19939 5714 1 15 . 1 1 128 128 LEU H H 128 8.600 8.600 8.120 0.480 19939 5715 1 15 . 1 1 129 129 HIS N N 129 115.982 115.982 117.683 -1.701 19939 5716 1 15 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.256 0.258 19939 5717 1 15 . 1 1 129 129 HIS C C 129 178.014 178.014 177.409 0.605 19939 5718 1 15 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.123 -1.045 19939 5719 1 15 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.854 -0.508 19939 5720 1 15 . 1 1 129 129 HIS H H 129 8.041 8.041 7.809 0.232 19939 5721 1 15 . 1 1 130 130 LYS N N 130 119.804 119.804 118.713 1.091 19939 5722 1 15 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.029 0.053 19939 5723 1 15 . 1 1 130 130 LYS C C 130 177.320 177.320 178.079 -0.759 19939 5724 1 15 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.738 -0.377 19939 5725 1 15 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.498 0.071 19939 5726 1 15 . 1 1 130 130 LYS H H 130 8.136 8.136 7.990 0.146 19939 5727 1 15 . 1 1 131 131 ASN N N 131 115.918 115.918 113.908 2.010 19939 5728 1 15 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.704 -0.048 19939 5729 1 15 . 1 1 131 131 ASN C C 131 175.335 175.335 176.100 -0.765 19939 5730 1 15 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.103 0.487 19939 5731 1 15 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.171 0.109 19939 5732 1 15 . 1 1 131 131 ASN H H 131 7.663 7.663 7.628 0.035 19939 5733 1 15 . 1 1 132 132 GLY N N 132 108.472 108.472 108.051 0.421 19939 5734 1 15 . 1 1 132 132 GLY C C 132 174.647 174.647 174.963 -0.316 19939 5735 1 15 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.635 0.694 19939 5736 1 15 . 1 1 132 132 GLY H H 132 7.854 7.854 7.911 -0.057 19939 5737 1 15 . 1 1 133 133 GLU N N 133 120.028 120.028 120.171 -0.143 19939 5738 1 15 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.174 0.186 19939 5739 1 15 . 1 1 133 133 GLU C C 133 177.324 177.324 176.183 1.141 19939 5740 1 15 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.284 1.428 19939 5741 1 15 . 1 1 133 133 GLU CB C 133 29.889 29.889 28.522 1.367 19939 5742 1 15 . 1 1 133 133 GLU H H 133 8.142 8.142 7.754 0.388 19939 5743 1 15 . 1 1 134 134 THR N N 134 114.986 114.986 112.263 2.723 19939 5744 1 15 . 1 1 134 134 THR HA H 134 4.362 4.362 4.018 0.344 19939 5745 1 15 . 1 1 134 134 THR C C 134 174.926 174.926 174.113 0.813 19939 5746 1 15 . 1 1 134 134 THR CA C 134 62.028 62.028 63.643 -1.615 19939 5747 1 15 . 1 1 134 134 THR CB C 134 69.927 69.927 68.243 1.683 19939 5748 1 15 . 1 1 134 134 THR H H 134 8.363 8.363 7.705 0.658 19939 5749 1 15 . 1 1 135 135 SER N N 135 118.353 118.353 119.096 -0.743 19939 5750 1 15 . 1 1 135 135 SER HA H 135 4.530 4.530 4.520 0.010 19939 5751 1 15 . 1 1 135 135 SER C C 135 174.284 174.284 174.180 0.104 19939 5752 1 15 . 1 1 135 135 SER CA C 135 59.506 59.506 58.332 1.174 19939 5753 1 15 . 1 1 135 135 SER CB C 135 63.812 63.812 64.067 -0.255 19939 5754 1 15 . 1 1 135 135 SER H H 135 8.580 8.580 7.963 0.617 19939 5755 1 15 . 1 1 136 136 LEU N N 136 122.995 122.995 124.131 -1.136 19939 5756 1 15 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.281 0.175 19939 5757 1 15 . 1 1 136 136 LEU C C 136 175.105 175.105 176.634 -1.529 19939 5758 1 15 . 1 1 136 136 LEU CA C 136 54.521 54.521 54.897 -0.376 19939 5759 1 15 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.040 2.436 19939 5760 1 15 . 1 1 136 136 LEU H H 136 8.048 8.048 8.367 -0.319 19939 5761 1 15 . 1 1 137 137 LYS N N 137 121.086 121.086 123.092 -2.006 19939 5762 1 15 . 1 1 137 137 LYS CA C 137 53.066 53.066 54.061 -0.995 19939 5763 1 15 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.578 0.623 19939 5764 1 15 . 1 1 137 137 LYS H H 137 8.786 8.786 8.132 0.654 19939 5765 1 15 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.684 -0.728 19939 5766 1 15 . 1 1 138 138 PRO C C 138 177.652 177.652 177.824 -0.172 19939 5767 1 15 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.382 0.655 19939 5768 1 15 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.987 -0.518 19939 5769 1 15 . 1 1 139 139 GLU N N 139 113.380 113.380 116.972 -3.592 19939 5770 1 15 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.008 0.137 19939 5771 1 15 . 1 1 139 139 GLU C C 139 176.688 176.688 176.708 -0.020 19939 5772 1 15 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.544 1.227 19939 5773 1 15 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.642 -0.108 19939 5774 1 15 . 1 1 139 139 GLU H H 139 8.889 8.889 8.410 0.479 19939 5775 1 15 . 1 1 140 140 ASP N N 140 119.519 119.519 117.799 1.720 19939 5776 1 15 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.493 -0.189 19939 5777 1 15 . 1 1 140 140 ASP C C 140 174.537 174.537 176.018 -1.481 19939 5778 1 15 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.602 0.306 19939 5779 1 15 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.508 -0.634 19939 5780 1 15 . 1 1 140 140 ASP H H 140 8.027 8.027 7.683 0.344 19939 5781 1 15 . 1 1 141 141 PHE N N 141 118.825 118.825 118.096 0.729 19939 5782 1 15 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.445 -0.578 19939 5783 1 15 . 1 1 141 141 PHE C C 141 173.522 173.522 174.100 -0.578 19939 5784 1 15 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.671 0.597 19939 5785 1 15 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.457 0.022 19939 5786 1 15 . 1 1 141 141 PHE H H 141 7.539 7.539 7.308 0.231 19939 5787 1 15 . 1 1 142 142 ASP N N 142 122.733 122.733 125.072 -2.339 19939 5788 1 15 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.711 0.171 19939 5789 1 15 . 1 1 142 142 ASP C C 142 176.424 176.424 175.264 1.160 19939 5790 1 15 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.890 0.733 19939 5791 1 15 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.516 -1.833 19939 5792 1 15 . 1 1 142 142 ASP H H 142 8.546 8.546 8.447 0.099 19939 5793 1 15 . 1 1 143 143 PHE N N 143 127.545 127.545 121.022 6.523 19939 5794 1 15 . 1 1 143 143 PHE HA H 143 4.508 4.508 5.212 -0.704 19939 5795 1 15 . 1 1 143 143 PHE C C 143 174.878 174.878 175.284 -0.406 19939 5796 1 15 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.258 0.744 19939 5797 1 15 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.926 -0.422 19939 5798 1 15 . 1 1 143 143 PHE H H 143 9.406 9.406 8.835 0.571 19939 5799 1 15 . 1 1 144 144 THR N N 144 114.719 114.719 118.816 -4.097 19939 5800 1 15 . 1 1 144 144 THR HA H 144 4.581 4.581 4.263 0.318 19939 5801 1 15 . 1 1 144 144 THR CA C 144 62.519 62.519 62.059 0.461 19939 5802 1 15 . 1 1 144 144 THR CB C 144 70.241 70.241 69.362 0.879 19939 5803 1 15 . 1 1 144 144 THR H H 144 8.360 8.360 8.336 0.024 19939 5804 1 15 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.506 -0.514 19939 5805 1 15 . 1 1 145 145 VAL C C 145 176.097 176.097 175.348 0.749 19939 5806 1 15 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.293 -0.551 19939 5807 1 15 . 1 1 145 145 VAL CB C 145 32.515 32.515 33.013 -0.498 19939 5808 1 15 . 1 1 145 145 VAL H H 145 8.856 8.856 8.542 0.314 19939 5809 1 15 . 1 1 146 146 LEU N N 146 124.454 124.454 120.464 3.990 19939 5810 1 15 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.729 -0.363 19939 5811 1 15 . 1 1 146 146 LEU C C 146 176.924 176.924 176.933 -0.009 19939 5812 1 15 . 1 1 146 146 LEU CA C 146 54.963 54.963 54.232 0.731 19939 5813 1 15 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.242 0.196 19939 5814 1 15 . 1 1 146 146 LEU H H 146 8.082 8.082 7.760 0.322 19939 5815 1 15 . 1 1 147 147 SER N N 147 117.581 117.581 119.567 -1.986 19939 5816 1 15 . 1 1 147 147 SER HA H 147 4.589 4.589 4.071 0.518 19939 5817 1 15 . 1 1 147 147 SER C C 147 173.419 173.419 174.937 -1.518 19939 5818 1 15 . 1 1 147 147 SER CA C 147 58.281 58.281 58.892 -0.611 19939 5819 1 15 . 1 1 147 147 SER CB C 147 63.886 63.886 63.098 0.788 19939 5820 1 15 . 1 1 147 147 SER H H 147 8.216 8.216 8.626 -0.410 19939 5821 1 16 . 1 1 79 79 SER C C 79 174.960 174.960 175.179 -0.219 19939 5822 1 16 . 1 1 79 79 SER CA C 79 58.539 58.539 58.616 -0.077 19939 5823 1 16 . 1 1 79 79 SER CB C 79 64.005 64.005 64.385 -0.380 19939 5824 1 16 . 1 1 80 80 THR N N 80 115.664 115.664 119.179 -3.515 19939 5825 1 16 . 1 1 80 80 THR HA H 80 4.389 4.389 4.308 0.081 19939 5826 1 16 . 1 1 80 80 THR C C 80 174.574 174.574 173.956 0.618 19939 5827 1 16 . 1 1 80 80 THR CA C 80 62.123 62.123 62.934 -0.811 19939 5828 1 16 . 1 1 80 80 THR CB C 80 69.660 69.660 68.711 0.949 19939 5829 1 16 . 1 1 80 80 THR H H 80 8.340 8.340 8.695 -0.355 19939 5830 1 16 . 1 1 81 81 GLU N N 81 123.120 123.120 123.212 -0.092 19939 5831 1 16 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.297 0.018 19939 5832 1 16 . 1 1 81 81 GLU C C 81 176.123 176.123 175.554 0.569 19939 5833 1 16 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.322 0.350 19939 5834 1 16 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.502 -0.242 19939 5835 1 16 . 1 1 81 81 GLU H H 81 8.434 8.434 8.617 -0.183 19939 5836 1 16 . 1 1 82 82 CYS N N 82 120.924 120.924 119.172 1.752 19939 5837 1 16 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.734 -0.249 19939 5838 1 16 . 1 1 82 82 CYS C C 82 174.341 174.341 174.153 0.188 19939 5839 1 16 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.209 1.247 19939 5840 1 16 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.397 -0.408 19939 5841 1 16 . 1 1 82 82 CYS H H 82 8.392 8.392 8.572 -0.180 19939 5842 1 16 . 1 1 83 83 ARG N N 83 124.156 124.156 119.661 4.495 19939 5843 1 16 . 1 1 83 83 ARG HA H 83 4.367 4.367 3.981 0.386 19939 5844 1 16 . 1 1 83 83 ARG C C 83 176.140 176.140 174.588 1.552 19939 5845 1 16 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.600 -0.332 19939 5846 1 16 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.532 0.330 19939 5847 1 16 . 1 1 83 83 ARG H H 83 8.478 8.478 7.930 0.548 19939 5848 1 16 . 1 1 84 84 LYS N N 84 122.766 122.766 124.400 -1.634 19939 5849 1 16 . 1 1 84 84 LYS C C 84 176.555 176.555 175.225 1.330 19939 5850 1 16 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.628 -0.653 19939 5851 1 16 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.868 0.466 19939 5852 1 16 . 1 1 84 84 LYS H H 84 8.413 8.413 8.365 0.048 19939 5853 1 16 . 1 1 85 85 SER N N 85 118.305 118.305 116.131 2.174 19939 5854 1 16 . 1 1 85 85 SER HA H 85 4.408 4.408 4.551 -0.143 19939 5855 1 16 . 1 1 85 85 SER C C 85 173.669 173.669 173.852 -0.183 19939 5856 1 16 . 1 1 85 85 SER CA C 85 58.288 58.288 57.810 0.478 19939 5857 1 16 . 1 1 85 85 SER CB C 85 63.932 63.932 62.993 0.939 19939 5858 1 16 . 1 1 85 85 SER H H 85 8.440 8.440 8.332 0.108 19939 5859 1 16 . 1 1 86 86 VAL N N 86 123.628 123.628 119.331 4.297 19939 5860 1 16 . 1 1 86 86 VAL HA H 86 4.285 4.285 3.757 0.528 19939 5861 1 16 . 1 1 86 86 VAL CA C 86 60.169 60.169 62.142 -1.973 19939 5862 1 16 . 1 1 86 86 VAL CB C 86 33.380 33.380 30.857 2.523 19939 5863 1 16 . 1 1 86 86 VAL H H 86 8.279 8.279 8.323 -0.044 19939 5864 1 16 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.450 -0.249 19939 5865 1 16 . 1 1 87 87 PRO C C 87 175.673 175.673 177.081 -1.408 19939 5866 1 16 . 1 1 87 87 PRO CA C 87 63.622 63.622 63.059 0.563 19939 5867 1 16 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.217 -0.177 19939 5868 1 16 . 1 1 88 88 CYS N N 88 120.983 120.983 122.028 -1.045 19939 5869 1 16 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.221 0.023 19939 5870 1 16 . 1 1 88 88 CYS C C 88 176.345 176.345 175.979 0.366 19939 5871 1 16 . 1 1 88 88 CYS CA C 88 61.162 61.162 59.853 1.309 19939 5872 1 16 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.950 -1.030 19939 5873 1 16 . 1 1 88 88 CYS H H 88 8.393 8.393 8.575 -0.182 19939 5874 1 16 . 1 1 89 89 GLY N N 89 115.997 115.997 111.662 4.335 19939 5875 1 16 . 1 1 89 89 GLY C C 89 174.168 174.168 173.074 1.094 19939 5876 1 16 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.238 0.212 19939 5877 1 16 . 1 1 89 89 GLY H H 89 9.011 9.011 8.771 0.240 19939 5878 1 16 . 1 1 90 90 TRP N N 90 121.603 121.603 120.197 1.406 19939 5879 1 16 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.020 -0.048 19939 5880 1 16 . 1 1 90 90 TRP C C 90 175.327 175.327 176.236 -0.909 19939 5881 1 16 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.327 1.142 19939 5882 1 16 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.315 -1.810 19939 5883 1 16 . 1 1 90 90 TRP H H 90 8.406 8.406 7.452 0.954 19939 5884 1 16 . 1 1 91 91 GLU N N 91 119.691 119.691 120.607 -0.916 19939 5885 1 16 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.819 0.032 19939 5886 1 16 . 1 1 91 91 GLU C C 91 174.309 174.309 175.441 -1.132 19939 5887 1 16 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.053 0.012 19939 5888 1 16 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.268 0.145 19939 5889 1 16 . 1 1 91 91 GLU H H 91 8.963 8.963 8.523 0.440 19939 5890 1 16 . 1 1 92 92 ARG N N 92 126.749 126.749 124.274 2.475 19939 5891 1 16 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.821 -0.386 19939 5892 1 16 . 1 1 92 92 ARG C C 92 174.635 174.635 175.026 -0.391 19939 5893 1 16 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.512 -0.681 19939 5894 1 16 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.889 1.264 19939 5895 1 16 . 1 1 92 92 ARG H H 92 8.944 8.944 8.610 0.334 19939 5896 1 16 . 1 1 93 93 VAL N N 93 130.450 130.450 127.414 3.036 19939 5897 1 16 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.373 -0.244 19939 5898 1 16 . 1 1 93 93 VAL C C 93 173.391 173.391 173.876 -0.485 19939 5899 1 16 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.681 0.873 19939 5900 1 16 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.658 -0.333 19939 5901 1 16 . 1 1 93 93 VAL H H 93 9.096 9.096 8.470 0.626 19939 5902 1 16 . 1 1 94 94 VAL N N 94 125.534 125.534 121.423 4.111 19939 5903 1 16 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.997 -0.342 19939 5904 1 16 . 1 1 94 94 VAL C C 94 175.830 175.830 174.732 1.098 19939 5905 1 16 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.089 1.206 19939 5906 1 16 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.630 -0.566 19939 5907 1 16 . 1 1 94 94 VAL H H 94 8.341 8.341 8.292 0.049 19939 5908 1 16 . 1 1 95 95 LYS N N 95 128.357 128.357 126.746 1.611 19939 5909 1 16 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.706 0.178 19939 5910 1 16 . 1 1 95 95 LYS C C 95 175.169 175.169 175.088 0.081 19939 5911 1 16 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.135 -0.399 19939 5912 1 16 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.622 0.568 19939 5913 1 16 . 1 1 95 95 LYS H H 95 9.158 9.158 8.928 0.230 19939 5914 1 16 . 1 1 96 96 GLN N N 96 128.341 128.341 124.630 3.711 19939 5915 1 16 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.432 0.038 19939 5916 1 16 . 1 1 96 96 GLN C C 96 175.665 175.665 175.867 -0.202 19939 5917 1 16 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.617 -0.810 19939 5918 1 16 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.669 0.450 19939 5919 1 16 . 1 1 96 96 GLN H H 96 8.943 8.943 8.594 0.349 19939 5920 1 16 . 1 1 97 97 ARG N N 97 127.147 127.147 126.445 0.702 19939 5921 1 16 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.362 0.077 19939 5922 1 16 . 1 1 97 97 ARG C C 97 178.214 178.214 174.641 3.573 19939 5923 1 16 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.931 1.788 19939 5924 1 16 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.453 -1.128 19939 5925 1 16 . 1 1 97 97 ARG H H 97 9.117 9.117 8.195 0.922 19939 5926 1 16 . 1 1 98 98 LEU N N 98 125.934 125.934 127.219 -1.285 19939 5927 1 16 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.413 -0.071 19939 5928 1 16 . 1 1 98 98 LEU C C 98 176.647 176.647 175.253 1.394 19939 5929 1 16 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.392 1.291 19939 5930 1 16 . 1 1 98 98 LEU CB C 98 44.063 44.063 40.908 3.155 19939 5931 1 16 . 1 1 98 98 LEU H H 98 9.054 9.054 8.382 0.672 19939 5932 1 16 . 1 1 99 99 PHE N N 99 119.325 119.325 123.132 -3.807 19939 5933 1 16 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.706 0.245 19939 5934 1 16 . 1 1 99 99 PHE C C 99 173.854 173.854 175.771 -1.917 19939 5935 1 16 . 1 1 99 99 PHE CA C 99 56.704 56.704 58.153 -1.449 19939 5936 1 16 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.380 2.374 19939 5937 1 16 . 1 1 99 99 PHE H H 99 8.245 8.245 8.377 -0.132 19939 5938 1 16 . 1 1 100 100 GLY N N 100 104.714 104.714 107.424 -2.710 19939 5939 1 16 . 1 1 100 100 GLY C C 100 176.173 176.173 174.869 1.304 19939 5940 1 16 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.521 -1.397 19939 5941 1 16 . 1 1 100 100 GLY H H 100 8.111 8.111 8.010 0.101 19939 5942 1 16 . 1 1 101 101 LYS N N 101 122.597 122.597 122.048 0.549 19939 5943 1 16 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.278 -0.166 19939 5944 1 16 . 1 1 101 101 LYS C C 101 179.615 179.615 177.746 1.869 19939 5945 1 16 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.127 1.543 19939 5946 1 16 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.290 0.484 19939 5947 1 16 . 1 1 101 101 LYS H H 101 9.134 9.134 8.308 0.826 19939 5948 1 16 . 1 1 102 102 THR N N 102 108.650 108.650 109.587 -0.937 19939 5949 1 16 . 1 1 102 102 THR HA H 102 4.339 4.339 4.406 -0.067 19939 5950 1 16 . 1 1 102 102 THR C C 102 172.966 172.966 174.205 -1.239 19939 5951 1 16 . 1 1 102 102 THR CA C 102 61.304 61.304 61.423 -0.119 19939 5952 1 16 . 1 1 102 102 THR CB C 102 68.948 68.948 69.177 -0.230 19939 5953 1 16 . 1 1 102 102 THR H H 102 8.982 8.982 7.765 1.217 19939 5954 1 16 . 1 1 103 103 ALA N N 103 123.171 123.171 124.300 -1.129 19939 5955 1 16 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.076 -0.709 19939 5956 1 16 . 1 1 103 103 ALA C C 103 178.082 178.082 178.785 -0.703 19939 5957 1 16 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.660 0.455 19939 5958 1 16 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.044 -0.103 19939 5959 1 16 . 1 1 103 103 ALA H H 103 6.932 6.932 7.787 -0.855 19939 5960 1 16 . 1 1 104 104 GLY N N 104 111.443 111.443 110.448 0.995 19939 5961 1 16 . 1 1 104 104 GLY C C 104 175.274 175.274 174.301 0.973 19939 5962 1 16 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.602 -0.118 19939 5963 1 16 . 1 1 104 104 GLY H H 104 8.545 8.545 8.637 -0.092 19939 5964 1 16 . 1 1 105 105 ARG N N 105 119.647 119.647 121.037 -1.390 19939 5965 1 16 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.328 0.089 19939 5966 1 16 . 1 1 105 105 ARG C C 105 174.184 174.184 175.061 -0.877 19939 5967 1 16 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.854 0.890 19939 5968 1 16 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.271 -0.530 19939 5969 1 16 . 1 1 105 105 ARG H H 105 7.646 7.646 7.663 -0.017 19939 5970 1 16 . 1 1 106 106 PHE N N 106 117.619 117.619 121.649 -4.030 19939 5971 1 16 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.761 0.662 19939 5972 1 16 . 1 1 106 106 PHE C C 106 175.443 175.443 175.397 0.046 19939 5973 1 16 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.616 -0.428 19939 5974 1 16 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.605 1.923 19939 5975 1 16 . 1 1 106 106 PHE H H 106 8.745 8.745 8.487 0.258 19939 5976 1 16 . 1 1 107 107 ASP N N 107 119.340 119.340 126.262 -6.922 19939 5977 1 16 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.176 0.002 19939 5978 1 16 . 1 1 107 107 ASP C C 107 173.615 173.615 174.560 -0.945 19939 5979 1 16 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.882 -0.179 19939 5980 1 16 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.049 2.241 19939 5981 1 16 . 1 1 107 107 ASP H H 107 8.858 8.858 8.403 0.455 19939 5982 1 16 . 1 1 108 108 VAL N N 108 121.639 121.639 118.969 2.670 19939 5983 1 16 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.236 -0.323 19939 5984 1 16 . 1 1 108 108 VAL C C 108 174.762 174.762 174.222 0.540 19939 5985 1 16 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.338 0.494 19939 5986 1 16 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.651 -1.712 19939 5987 1 16 . 1 1 108 108 VAL H H 108 8.550 8.550 8.458 0.092 19939 5988 1 16 . 1 1 109 109 TYR N N 109 121.685 121.685 119.267 2.418 19939 5989 1 16 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.152 0.267 19939 5990 1 16 . 1 1 109 109 TYR C C 109 173.430 173.430 173.696 -0.266 19939 5991 1 16 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.286 -0.826 19939 5992 1 16 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.072 1.969 19939 5993 1 16 . 1 1 109 109 TYR H H 109 8.894 8.894 8.216 0.678 19939 5994 1 16 . 1 1 110 110 PHE N N 110 117.355 117.355 116.366 0.989 19939 5995 1 16 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.812 0.033 19939 5996 1 16 . 1 1 110 110 PHE C C 110 175.425 175.425 174.803 0.622 19939 5997 1 16 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.246 1.451 19939 5998 1 16 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.792 2.326 19939 5999 1 16 . 1 1 110 110 PHE H H 110 8.898 8.898 7.384 1.514 19939 6000 1 16 . 1 1 111 111 ILE N N 111 121.807 121.807 122.841 -1.034 19939 6001 1 16 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.934 0.296 19939 6002 1 16 . 1 1 111 111 ILE C C 111 176.355 176.355 176.305 0.050 19939 6003 1 16 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.272 -0.293 19939 6004 1 16 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.405 -0.504 19939 6005 1 16 . 1 1 111 111 ILE H H 111 9.660 9.660 8.427 1.233 19939 6006 1 16 . 1 1 112 112 SER N N 112 126.063 126.063 123.391 2.672 19939 6007 1 16 . 1 1 112 112 SER HA H 112 3.051 3.051 4.051 -1.000 19939 6008 1 16 . 1 1 112 112 SER CA C 112 56.697 56.697 56.664 0.033 19939 6009 1 16 . 1 1 112 112 SER CB C 112 63.153 63.153 62.160 0.993 19939 6010 1 16 . 1 1 112 112 SER H H 112 9.416 9.416 8.545 0.871 19939 6011 1 16 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.228 0.031 19939 6012 1 16 . 1 1 113 113 PRO C C 113 177.214 177.214 177.366 -0.152 19939 6013 1 16 . 1 1 113 113 PRO CA C 113 64.914 64.914 65.031 -0.117 19939 6014 1 16 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.496 -0.068 19939 6015 1 16 . 1 1 114 114 GLN N N 114 112.298 112.298 116.871 -4.573 19939 6016 1 16 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.327 0.056 19939 6017 1 16 . 1 1 114 114 GLN C C 114 175.990 175.990 176.934 -0.944 19939 6018 1 16 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.667 0.147 19939 6019 1 16 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.138 0.511 19939 6020 1 16 . 1 1 114 114 GLN H H 114 7.175 7.175 8.134 -0.959 19939 6021 1 16 . 1 1 115 115 GLY N N 115 108.911 108.911 106.488 2.423 19939 6022 1 16 . 1 1 115 115 GLY C C 115 174.162 174.162 173.812 0.350 19939 6023 1 16 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.396 -0.077 19939 6024 1 16 . 1 1 115 115 GLY H H 115 8.150 8.150 7.840 0.310 19939 6025 1 16 . 1 1 116 116 LEU N N 116 121.038 121.038 121.313 -0.275 19939 6026 1 16 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.182 0.000 19939 6027 1 16 . 1 1 116 116 LEU C C 116 175.187 175.187 176.109 -0.922 19939 6028 1 16 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.782 -0.010 19939 6029 1 16 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.252 0.291 19939 6030 1 16 . 1 1 116 116 LEU H H 116 7.166 7.166 7.659 -0.493 19939 6031 1 16 . 1 1 117 117 LYS N N 117 121.584 121.584 121.809 -0.225 19939 6032 1 16 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.310 0.959 19939 6033 1 16 . 1 1 117 117 LYS C C 117 175.984 175.984 174.647 1.337 19939 6034 1 16 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.136 0.297 19939 6035 1 16 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.888 -0.325 19939 6036 1 16 . 1 1 117 117 LYS H H 117 8.238 8.238 7.746 0.492 19939 6037 1 16 . 1 1 118 118 PHE N N 118 121.828 121.828 121.770 0.058 19939 6038 1 16 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.730 0.182 19939 6039 1 16 . 1 1 118 118 PHE C C 118 176.449 176.449 174.019 2.430 19939 6040 1 16 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.097 0.909 19939 6041 1 16 . 1 1 118 118 PHE CB C 118 42.968 42.968 43.011 -0.043 19939 6042 1 16 . 1 1 118 118 PHE H H 118 9.639 9.639 8.009 1.630 19939 6043 1 16 . 1 1 119 119 ARG N N 119 119.546 119.546 119.125 0.421 19939 6044 1 16 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.476 0.635 19939 6045 1 16 . 1 1 119 119 ARG C C 119 174.704 174.704 175.516 -0.812 19939 6046 1 16 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.621 -0.450 19939 6047 1 16 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.270 0.550 19939 6048 1 16 . 1 1 119 119 ARG H H 119 9.589 9.589 8.737 0.852 19939 6049 1 16 . 1 1 120 120 SER N N 120 110.737 110.737 115.324 -4.587 19939 6050 1 16 . 1 1 120 120 SER HA H 120 4.341 4.341 4.740 -0.399 19939 6051 1 16 . 1 1 120 120 SER C C 120 172.793 172.793 174.927 -2.134 19939 6052 1 16 . 1 1 120 120 SER CA C 120 56.032 56.032 56.750 -0.718 19939 6053 1 16 . 1 1 120 120 SER CB C 120 66.492 66.492 65.551 0.941 19939 6054 1 16 . 1 1 120 120 SER H H 120 7.625 7.625 7.764 -0.139 19939 6055 1 16 . 1 1 121 121 LYS N N 121 125.451 125.451 126.311 -0.860 19939 6056 1 16 . 1 1 121 121 LYS HA H 121 3.634 3.634 3.956 -0.322 19939 6057 1 16 . 1 1 121 121 LYS C C 121 178.826 178.826 177.764 1.062 19939 6058 1 16 . 1 1 121 121 LYS CA C 121 59.635 59.635 58.862 0.773 19939 6059 1 16 . 1 1 121 121 LYS CB C 121 31.154 31.154 31.725 -0.571 19939 6060 1 16 . 1 1 121 121 LYS H H 121 8.816 8.816 8.780 0.036 19939 6061 1 16 . 1 1 122 122 SER N N 122 115.374 115.374 115.849 -0.475 19939 6062 1 16 . 1 1 122 122 SER HA H 122 4.136 4.136 4.203 -0.067 19939 6063 1 16 . 1 1 122 122 SER C C 122 177.427 177.427 176.278 1.149 19939 6064 1 16 . 1 1 122 122 SER CA C 122 61.492 61.492 61.683 -0.191 19939 6065 1 16 . 1 1 122 122 SER CB C 122 62.342 62.342 63.039 -0.697 19939 6066 1 16 . 1 1 122 122 SER H H 122 8.834 8.834 7.934 0.900 19939 6067 1 16 . 1 1 123 123 SER N N 123 118.263 118.263 117.810 0.453 19939 6068 1 16 . 1 1 123 123 SER HA H 123 4.418 4.418 4.262 0.156 19939 6069 1 16 . 1 1 123 123 SER C C 123 178.017 178.017 176.342 1.675 19939 6070 1 16 . 1 1 123 123 SER CA C 123 61.540 61.540 60.902 0.638 19939 6071 1 16 . 1 1 123 123 SER CB C 123 62.967 62.967 62.670 0.297 19939 6072 1 16 . 1 1 123 123 SER H H 123 8.043 8.043 7.766 0.277 19939 6073 1 16 . 1 1 124 124 LEU N N 124 126.780 126.780 123.181 3.599 19939 6074 1 16 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.841 -0.193 19939 6075 1 16 . 1 1 124 124 LEU C C 124 177.987 177.987 177.752 0.235 19939 6076 1 16 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.728 0.535 19939 6077 1 16 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.272 1.029 19939 6078 1 16 . 1 1 124 124 LEU H H 124 7.686 7.686 7.510 0.176 19939 6079 1 16 . 1 1 125 125 ALA N N 125 121.665 121.665 120.198 1.467 19939 6080 1 16 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.984 -0.294 19939 6081 1 16 . 1 1 125 125 ALA C C 125 180.032 180.032 179.194 0.838 19939 6082 1 16 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.228 0.459 19939 6083 1 16 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.105 -0.225 19939 6084 1 16 . 1 1 125 125 ALA H H 125 8.912 8.912 7.776 1.136 19939 6085 1 16 . 1 1 126 126 ASN N N 126 115.720 115.720 116.707 -0.987 19939 6086 1 16 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.564 -0.071 19939 6087 1 16 . 1 1 126 126 ASN C C 126 177.174 177.174 177.127 0.047 19939 6088 1 16 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.977 0.394 19939 6089 1 16 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.289 0.234 19939 6090 1 16 . 1 1 126 126 ASN H H 126 7.963 7.963 7.401 0.562 19939 6091 1 16 . 1 1 127 127 TYR N N 127 121.605 121.605 122.910 -1.305 19939 6092 1 16 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.179 0.110 19939 6093 1 16 . 1 1 127 127 TYR C C 127 177.895 177.895 177.749 0.146 19939 6094 1 16 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.705 -0.129 19939 6095 1 16 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.184 0.867 19939 6096 1 16 . 1 1 127 127 TYR H H 127 7.746 7.746 8.525 -0.779 19939 6097 1 16 . 1 1 128 128 LEU N N 128 119.365 119.365 117.576 1.789 19939 6098 1 16 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.436 0.362 19939 6099 1 16 . 1 1 128 128 LEU C C 128 179.418 179.418 178.763 0.655 19939 6100 1 16 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.617 0.119 19939 6101 1 16 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.582 -0.689 19939 6102 1 16 . 1 1 128 128 LEU H H 128 8.600 8.600 8.154 0.446 19939 6103 1 16 . 1 1 129 129 HIS N N 129 115.982 115.982 117.574 -1.592 19939 6104 1 16 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.193 0.321 19939 6105 1 16 . 1 1 129 129 HIS C C 129 178.014 178.014 177.424 0.590 19939 6106 1 16 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.240 -1.162 19939 6107 1 16 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.793 -0.447 19939 6108 1 16 . 1 1 129 129 HIS H H 129 8.041 8.041 7.556 0.485 19939 6109 1 16 . 1 1 130 130 LYS N N 130 119.804 119.804 117.732 2.072 19939 6110 1 16 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.047 0.035 19939 6111 1 16 . 1 1 130 130 LYS C C 130 177.320 177.320 177.976 -0.656 19939 6112 1 16 . 1 1 130 130 LYS CA C 130 58.361 58.361 57.861 0.500 19939 6113 1 16 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.487 0.083 19939 6114 1 16 . 1 1 130 130 LYS H H 130 8.136 8.136 8.030 0.106 19939 6115 1 16 . 1 1 131 131 ASN N N 131 115.918 115.918 116.138 -0.220 19939 6116 1 16 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.546 0.110 19939 6117 1 16 . 1 1 131 131 ASN C C 131 175.335 175.335 176.175 -0.840 19939 6118 1 16 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.372 0.218 19939 6119 1 16 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.144 0.136 19939 6120 1 16 . 1 1 131 131 ASN H H 131 7.663 7.663 7.592 0.071 19939 6121 1 16 . 1 1 132 132 GLY N N 132 108.472 108.472 108.387 0.085 19939 6122 1 16 . 1 1 132 132 GLY C C 132 174.647 174.647 173.505 1.142 19939 6123 1 16 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.087 1.242 19939 6124 1 16 . 1 1 132 132 GLY H H 132 7.854 7.854 7.504 0.350 19939 6125 1 16 . 1 1 133 133 GLU N N 133 120.028 120.028 121.839 -1.811 19939 6126 1 16 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.535 -0.175 19939 6127 1 16 . 1 1 133 133 GLU C C 133 177.324 177.324 176.060 1.264 19939 6128 1 16 . 1 1 133 133 GLU CA C 133 56.712 56.712 54.739 1.973 19939 6129 1 16 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.720 -0.831 19939 6130 1 16 . 1 1 133 133 GLU H H 133 8.142 8.142 7.554 0.588 19939 6131 1 16 . 1 1 134 134 THR N N 134 114.986 114.986 116.656 -1.670 19939 6132 1 16 . 1 1 134 134 THR HA H 134 4.362 4.362 4.552 -0.190 19939 6133 1 16 . 1 1 134 134 THR C C 134 174.926 174.926 175.168 -0.242 19939 6134 1 16 . 1 1 134 134 THR CA C 134 62.028 62.028 61.944 0.084 19939 6135 1 16 . 1 1 134 134 THR CB C 134 69.927 69.927 69.370 0.558 19939 6136 1 16 . 1 1 134 134 THR H H 134 8.363 8.363 8.639 -0.276 19939 6137 1 16 . 1 1 135 135 SER N N 135 118.353 118.353 117.576 0.777 19939 6138 1 16 . 1 1 135 135 SER HA H 135 4.530 4.530 4.264 0.266 19939 6139 1 16 . 1 1 135 135 SER C C 135 174.284 174.284 174.577 -0.293 19939 6140 1 16 . 1 1 135 135 SER CA C 135 59.506 59.506 60.180 -0.674 19939 6141 1 16 . 1 1 135 135 SER CB C 135 63.812 63.812 63.312 0.500 19939 6142 1 16 . 1 1 135 135 SER H H 135 8.580 8.580 8.224 0.356 19939 6143 1 16 . 1 1 136 136 LEU N N 136 122.995 122.995 121.881 1.114 19939 6144 1 16 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.433 0.023 19939 6145 1 16 . 1 1 136 136 LEU C C 136 175.105 175.105 175.659 -0.554 19939 6146 1 16 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.018 -0.497 19939 6147 1 16 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.732 1.744 19939 6148 1 16 . 1 1 136 136 LEU H H 136 8.048 8.048 8.059 -0.011 19939 6149 1 16 . 1 1 137 137 LYS N N 137 121.086 121.086 118.276 2.810 19939 6150 1 16 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.147 -0.081 19939 6151 1 16 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.694 0.507 19939 6152 1 16 . 1 1 137 137 LYS H H 137 8.786 8.786 7.982 0.804 19939 6153 1 16 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.108 -0.152 19939 6154 1 16 . 1 1 138 138 PRO C C 138 177.652 177.652 177.127 0.525 19939 6155 1 16 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.032 1.005 19939 6156 1 16 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.703 -0.234 19939 6157 1 16 . 1 1 139 139 GLU N N 139 113.380 113.380 114.596 -1.216 19939 6158 1 16 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.450 -0.305 19939 6159 1 16 . 1 1 139 139 GLU C C 139 176.688 176.688 176.488 0.200 19939 6160 1 16 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.323 1.448 19939 6161 1 16 . 1 1 139 139 GLU CB C 139 28.534 28.534 29.226 -0.692 19939 6162 1 16 . 1 1 139 139 GLU H H 139 8.889 8.889 8.232 0.657 19939 6163 1 16 . 1 1 140 140 ASP N N 140 119.519 119.519 119.199 0.320 19939 6164 1 16 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.548 -0.244 19939 6165 1 16 . 1 1 140 140 ASP C C 140 174.537 174.537 176.333 -1.796 19939 6166 1 16 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.111 0.797 19939 6167 1 16 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.699 -0.826 19939 6168 1 16 . 1 1 140 140 ASP H H 140 8.027 8.027 8.294 -0.267 19939 6169 1 16 . 1 1 141 141 PHE N N 141 118.825 118.825 118.398 0.427 19939 6170 1 16 . 1 1 141 141 PHE HA H 141 3.867 3.867 3.937 -0.070 19939 6171 1 16 . 1 1 141 141 PHE C C 141 173.522 173.522 174.936 -1.414 19939 6172 1 16 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.969 0.299 19939 6173 1 16 . 1 1 141 141 PHE CB C 141 39.479 39.479 38.899 0.580 19939 6174 1 16 . 1 1 141 141 PHE H H 141 7.539 7.539 7.666 -0.127 19939 6175 1 16 . 1 1 142 142 ASP N N 142 122.733 122.733 125.682 -2.949 19939 6176 1 16 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.406 0.476 19939 6177 1 16 . 1 1 142 142 ASP C C 142 176.424 176.424 174.693 1.731 19939 6178 1 16 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.537 1.086 19939 6179 1 16 . 1 1 142 142 ASP CB C 142 41.683 41.683 41.206 0.477 19939 6180 1 16 . 1 1 142 142 ASP H H 142 8.546 8.546 7.955 0.591 19939 6181 1 16 . 1 1 143 143 PHE N N 143 127.545 127.545 124.162 3.383 19939 6182 1 16 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.810 -0.302 19939 6183 1 16 . 1 1 143 143 PHE C C 143 174.878 174.878 174.278 0.600 19939 6184 1 16 . 1 1 143 143 PHE CA C 143 59.002 59.002 57.164 1.838 19939 6185 1 16 . 1 1 143 143 PHE CB C 143 39.504 39.504 40.579 -1.075 19939 6186 1 16 . 1 1 143 143 PHE H H 143 9.406 9.406 7.931 1.475 19939 6187 1 16 . 1 1 144 144 THR N N 144 114.719 114.719 111.793 2.926 19939 6188 1 16 . 1 1 144 144 THR HA H 144 4.581 4.581 3.985 0.596 19939 6189 1 16 . 1 1 144 144 THR CA C 144 62.519 62.519 62.029 0.490 19939 6190 1 16 . 1 1 144 144 THR CB C 144 70.241 70.241 68.283 1.958 19939 6191 1 16 . 1 1 144 144 THR H H 144 8.360 8.360 8.188 0.172 19939 6192 1 16 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.630 0.362 19939 6193 1 16 . 1 1 145 145 VAL C C 145 176.097 176.097 177.315 -1.218 19939 6194 1 16 . 1 1 145 145 VAL CA C 145 62.742 62.742 64.269 -1.527 19939 6195 1 16 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.876 0.639 19939 6196 1 16 . 1 1 145 145 VAL H H 145 8.856 8.856 8.117 0.739 19939 6197 1 16 . 1 1 146 146 LEU N N 146 124.454 124.454 118.035 6.419 19939 6198 1 16 . 1 1 146 146 LEU HA H 146 4.366 4.366 3.781 0.585 19939 6199 1 16 . 1 1 146 146 LEU C C 146 176.924 176.924 177.089 -0.165 19939 6200 1 16 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.555 -1.592 19939 6201 1 16 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.056 1.382 19939 6202 1 16 . 1 1 146 146 LEU H H 146 8.082 8.082 8.048 0.034 19939 6203 1 16 . 1 1 147 147 SER N N 147 117.581 117.581 114.378 3.203 19939 6204 1 16 . 1 1 147 147 SER HA H 147 4.589 4.589 4.016 0.573 19939 6205 1 16 . 1 1 147 147 SER C C 147 173.419 173.419 173.886 -0.467 19939 6206 1 16 . 1 1 147 147 SER CA C 147 58.281 58.281 58.862 -0.581 19939 6207 1 16 . 1 1 147 147 SER CB C 147 63.886 63.886 62.364 1.522 19939 6208 1 16 . 1 1 147 147 SER H H 147 8.216 8.216 8.416 -0.200 19939 6209 1 17 . 1 1 79 79 SER C C 79 174.960 174.960 174.043 0.917 19939 6210 1 17 . 1 1 79 79 SER CA C 79 58.539 58.539 58.664 -0.125 19939 6211 1 17 . 1 1 79 79 SER CB C 79 64.005 64.005 64.165 -0.160 19939 6212 1 17 . 1 1 80 80 THR N N 80 115.664 115.664 120.358 -4.694 19939 6213 1 17 . 1 1 80 80 THR HA H 80 4.389 4.389 4.381 0.008 19939 6214 1 17 . 1 1 80 80 THR C C 80 174.574 174.574 174.052 0.522 19939 6215 1 17 . 1 1 80 80 THR CA C 80 62.123 62.123 62.610 -0.487 19939 6216 1 17 . 1 1 80 80 THR CB C 80 69.660 69.660 69.676 -0.016 19939 6217 1 17 . 1 1 80 80 THR H H 80 8.340 8.340 8.386 -0.046 19939 6218 1 17 . 1 1 81 81 GLU N N 81 123.120 123.120 124.501 -1.381 19939 6219 1 17 . 1 1 81 81 GLU HA H 81 4.315 4.315 3.912 0.403 19939 6220 1 17 . 1 1 81 81 GLU C C 81 176.123 176.123 176.397 -0.274 19939 6221 1 17 . 1 1 81 81 GLU CA C 81 56.672 56.672 58.874 -2.202 19939 6222 1 17 . 1 1 81 81 GLU CB C 81 30.260 30.260 28.764 1.496 19939 6223 1 17 . 1 1 81 81 GLU H H 81 8.434 8.434 8.905 -0.471 19939 6224 1 17 . 1 1 82 82 CYS N N 82 120.924 120.924 115.455 5.469 19939 6225 1 17 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.593 -0.108 19939 6226 1 17 . 1 1 82 82 CYS C C 82 174.341 174.341 173.820 0.521 19939 6227 1 17 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.364 0.092 19939 6228 1 17 . 1 1 82 82 CYS CB C 82 27.989 27.989 30.359 -2.370 19939 6229 1 17 . 1 1 82 82 CYS H H 82 8.392 8.392 8.145 0.247 19939 6230 1 17 . 1 1 83 83 ARG N N 83 124.156 124.156 122.353 1.803 19939 6231 1 17 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.262 0.105 19939 6232 1 17 . 1 1 83 83 ARG C C 83 176.140 176.140 175.512 0.628 19939 6233 1 17 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.553 -1.286 19939 6234 1 17 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.366 0.496 19939 6235 1 17 . 1 1 83 83 ARG H H 83 8.478 8.478 8.330 0.148 19939 6236 1 17 . 1 1 84 84 LYS N N 84 122.766 122.766 125.346 -2.580 19939 6237 1 17 . 1 1 84 84 LYS C C 84 176.555 176.555 176.280 0.275 19939 6238 1 17 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.814 -0.839 19939 6239 1 17 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.426 0.908 19939 6240 1 17 . 1 1 84 84 LYS H H 84 8.413 8.413 8.747 -0.334 19939 6241 1 17 . 1 1 85 85 SER N N 85 118.305 118.305 116.784 1.521 19939 6242 1 17 . 1 1 85 85 SER HA H 85 4.408 4.408 4.564 -0.156 19939 6243 1 17 . 1 1 85 85 SER C C 85 173.669 173.669 175.239 -1.570 19939 6244 1 17 . 1 1 85 85 SER CA C 85 58.288 58.288 58.926 -0.638 19939 6245 1 17 . 1 1 85 85 SER CB C 85 63.932 63.932 64.843 -0.911 19939 6246 1 17 . 1 1 85 85 SER H H 85 8.440 8.440 8.342 0.098 19939 6247 1 17 . 1 1 86 86 VAL N N 86 123.628 123.628 122.742 0.886 19939 6248 1 17 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.432 -0.147 19939 6249 1 17 . 1 1 86 86 VAL CA C 86 60.169 60.169 60.008 0.161 19939 6250 1 17 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.284 1.096 19939 6251 1 17 . 1 1 86 86 VAL H H 86 8.279 8.279 8.338 -0.059 19939 6252 1 17 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.426 -0.225 19939 6253 1 17 . 1 1 87 87 PRO C C 87 175.673 175.673 176.797 -1.124 19939 6254 1 17 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.690 0.932 19939 6255 1 17 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.196 -0.156 19939 6256 1 17 . 1 1 88 88 CYS N N 88 120.983 120.983 122.923 -1.940 19939 6257 1 17 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.317 -0.073 19939 6258 1 17 . 1 1 88 88 CYS C C 88 176.345 176.345 176.165 0.180 19939 6259 1 17 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.970 0.192 19939 6260 1 17 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.279 -1.359 19939 6261 1 17 . 1 1 88 88 CYS H H 88 8.393 8.393 8.421 -0.028 19939 6262 1 17 . 1 1 89 89 GLY N N 89 115.997 115.997 114.611 1.386 19939 6263 1 17 . 1 1 89 89 GLY C C 89 174.168 174.168 173.246 0.922 19939 6264 1 17 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.870 0.580 19939 6265 1 17 . 1 1 89 89 GLY H H 89 9.011 9.011 8.566 0.445 19939 6266 1 17 . 1 1 90 90 TRP N N 90 121.603 121.603 120.283 1.320 19939 6267 1 17 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.388 -0.416 19939 6268 1 17 . 1 1 90 90 TRP C C 90 175.327 175.327 176.244 -0.917 19939 6269 1 17 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.399 1.070 19939 6270 1 17 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.485 -1.980 19939 6271 1 17 . 1 1 90 90 TRP H H 90 8.406 8.406 7.533 0.873 19939 6272 1 17 . 1 1 91 91 GLU N N 91 119.691 119.691 120.878 -1.187 19939 6273 1 17 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.894 -0.043 19939 6274 1 17 . 1 1 91 91 GLU C C 91 174.309 174.309 175.128 -0.819 19939 6275 1 17 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.869 0.196 19939 6276 1 17 . 1 1 91 91 GLU CB C 91 33.413 33.413 34.019 -0.606 19939 6277 1 17 . 1 1 91 91 GLU H H 91 8.963 8.963 8.983 -0.020 19939 6278 1 17 . 1 1 92 92 ARG N N 92 126.749 126.749 123.021 3.728 19939 6279 1 17 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.762 -0.327 19939 6280 1 17 . 1 1 92 92 ARG C C 92 174.635 174.635 174.902 -0.267 19939 6281 1 17 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.268 -0.437 19939 6282 1 17 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.965 1.188 19939 6283 1 17 . 1 1 92 92 ARG H H 92 8.944 8.944 8.576 0.368 19939 6284 1 17 . 1 1 93 93 VAL N N 93 130.450 130.450 127.158 3.292 19939 6285 1 17 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.250 -0.121 19939 6286 1 17 . 1 1 93 93 VAL C C 93 173.391 173.391 173.784 -0.393 19939 6287 1 17 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.355 1.199 19939 6288 1 17 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.472 -1.146 19939 6289 1 17 . 1 1 93 93 VAL H H 93 9.096 9.096 8.418 0.678 19939 6290 1 17 . 1 1 94 94 VAL N N 94 125.534 125.534 120.773 4.761 19939 6291 1 17 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.871 -0.216 19939 6292 1 17 . 1 1 94 94 VAL C C 94 175.830 175.830 175.152 0.678 19939 6293 1 17 . 1 1 94 94 VAL CA C 94 61.295 61.295 60.348 0.947 19939 6294 1 17 . 1 1 94 94 VAL CB C 94 33.064 33.064 34.230 -1.166 19939 6295 1 17 . 1 1 94 94 VAL H H 94 8.341 8.341 8.117 0.224 19939 6296 1 17 . 1 1 95 95 LYS N N 95 128.357 128.357 126.706 1.651 19939 6297 1 17 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.737 0.147 19939 6298 1 17 . 1 1 95 95 LYS C C 95 175.169 175.169 175.402 -0.233 19939 6299 1 17 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.265 0.471 19939 6300 1 17 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.589 0.601 19939 6301 1 17 . 1 1 95 95 LYS H H 95 9.158 9.158 9.045 0.113 19939 6302 1 17 . 1 1 96 96 GLN N N 96 128.341 128.341 122.763 5.578 19939 6303 1 17 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.502 -0.032 19939 6304 1 17 . 1 1 96 96 GLN C C 96 175.665 175.665 175.825 -0.160 19939 6305 1 17 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.482 -0.675 19939 6306 1 17 . 1 1 96 96 GLN CB C 96 30.119 30.119 29.690 0.429 19939 6307 1 17 . 1 1 96 96 GLN H H 96 8.943 8.943 8.461 0.482 19939 6308 1 17 . 1 1 97 97 ARG N N 97 127.147 127.147 124.657 2.490 19939 6309 1 17 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.248 0.191 19939 6310 1 17 . 1 1 97 97 ARG C C 97 178.214 178.214 174.689 3.525 19939 6311 1 17 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.011 1.708 19939 6312 1 17 . 1 1 97 97 ARG CB C 97 30.325 30.325 31.248 -0.923 19939 6313 1 17 . 1 1 97 97 ARG H H 97 9.117 9.117 8.003 1.114 19939 6314 1 17 . 1 1 98 98 LEU N N 98 125.934 125.934 127.301 -1.367 19939 6315 1 17 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.416 -0.074 19939 6316 1 17 . 1 1 98 98 LEU C C 98 176.647 176.647 175.406 1.241 19939 6317 1 17 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.336 1.347 19939 6318 1 17 . 1 1 98 98 LEU CB C 98 44.063 44.063 40.776 3.287 19939 6319 1 17 . 1 1 98 98 LEU H H 98 9.054 9.054 8.345 0.709 19939 6320 1 17 . 1 1 99 99 PHE N N 99 119.325 119.325 123.030 -3.705 19939 6321 1 17 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.799 0.152 19939 6322 1 17 . 1 1 99 99 PHE C C 99 173.854 173.854 175.877 -2.023 19939 6323 1 17 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.807 -1.103 19939 6324 1 17 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.278 2.477 19939 6325 1 17 . 1 1 99 99 PHE H H 99 8.245 8.245 8.354 -0.109 19939 6326 1 17 . 1 1 100 100 GLY N N 100 104.714 104.714 107.525 -2.811 19939 6327 1 17 . 1 1 100 100 GLY C C 100 176.173 176.173 174.936 1.237 19939 6328 1 17 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.497 -1.373 19939 6329 1 17 . 1 1 100 100 GLY H H 100 8.111 8.111 8.081 0.030 19939 6330 1 17 . 1 1 101 101 LYS N N 101 122.597 122.597 121.474 1.123 19939 6331 1 17 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.264 -0.152 19939 6332 1 17 . 1 1 101 101 LYS C C 101 179.615 179.615 177.440 2.175 19939 6333 1 17 . 1 1 101 101 LYS CA C 101 59.670 59.670 57.870 1.800 19939 6334 1 17 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.549 0.225 19939 6335 1 17 . 1 1 101 101 LYS H H 101 9.134 9.134 8.296 0.838 19939 6336 1 17 . 1 1 102 102 THR N N 102 108.650 108.650 109.329 -0.679 19939 6337 1 17 . 1 1 102 102 THR HA H 102 4.339 4.339 4.346 -0.007 19939 6338 1 17 . 1 1 102 102 THR C C 102 172.966 172.966 173.983 -1.017 19939 6339 1 17 . 1 1 102 102 THR CA C 102 61.304 61.304 61.585 -0.281 19939 6340 1 17 . 1 1 102 102 THR CB C 102 68.948 68.948 69.517 -0.569 19939 6341 1 17 . 1 1 102 102 THR H H 102 8.982 8.982 7.726 1.256 19939 6342 1 17 . 1 1 103 103 ALA N N 103 123.171 123.171 124.770 -1.599 19939 6343 1 17 . 1 1 103 103 ALA HA H 103 3.367 3.367 4.060 -0.693 19939 6344 1 17 . 1 1 103 103 ALA C C 103 178.082 178.082 178.731 -0.649 19939 6345 1 17 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.688 0.427 19939 6346 1 17 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.752 -0.811 19939 6347 1 17 . 1 1 103 103 ALA H H 103 6.932 6.932 7.908 -0.976 19939 6348 1 17 . 1 1 104 104 GLY N N 104 111.443 111.443 109.670 1.773 19939 6349 1 17 . 1 1 104 104 GLY C C 104 175.274 175.274 174.409 0.865 19939 6350 1 17 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.974 -0.490 19939 6351 1 17 . 1 1 104 104 GLY H H 104 8.545 8.545 8.507 0.038 19939 6352 1 17 . 1 1 105 105 ARG N N 105 119.647 119.647 121.026 -1.379 19939 6353 1 17 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.226 0.191 19939 6354 1 17 . 1 1 105 105 ARG C C 105 174.184 174.184 175.190 -1.006 19939 6355 1 17 . 1 1 105 105 ARG CA C 105 56.744 56.744 56.667 0.077 19939 6356 1 17 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.160 -0.419 19939 6357 1 17 . 1 1 105 105 ARG H H 105 7.646 7.646 7.503 0.143 19939 6358 1 17 . 1 1 106 106 PHE N N 106 117.619 117.619 118.900 -1.281 19939 6359 1 17 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.658 0.765 19939 6360 1 17 . 1 1 106 106 PHE C C 106 175.443 175.443 175.188 0.255 19939 6361 1 17 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.543 -0.355 19939 6362 1 17 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.254 1.274 19939 6363 1 17 . 1 1 106 106 PHE H H 106 8.745 8.745 8.345 0.400 19939 6364 1 17 . 1 1 107 107 ASP N N 107 119.340 119.340 125.633 -6.293 19939 6365 1 17 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.223 -0.045 19939 6366 1 17 . 1 1 107 107 ASP C C 107 173.615 173.615 174.481 -0.866 19939 6367 1 17 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.799 -0.096 19939 6368 1 17 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.417 1.873 19939 6369 1 17 . 1 1 107 107 ASP H H 107 8.858 8.858 8.464 0.394 19939 6370 1 17 . 1 1 108 108 VAL N N 108 121.639 121.639 117.672 3.967 19939 6371 1 17 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.239 -0.326 19939 6372 1 17 . 1 1 108 108 VAL C C 108 174.762 174.762 174.034 0.728 19939 6373 1 17 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.037 0.795 19939 6374 1 17 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.242 -1.303 19939 6375 1 17 . 1 1 108 108 VAL H H 108 8.550 8.550 8.437 0.113 19939 6376 1 17 . 1 1 109 109 TYR N N 109 121.685 121.685 117.253 4.432 19939 6377 1 17 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.139 0.280 19939 6378 1 17 . 1 1 109 109 TYR C C 109 173.430 173.430 172.981 0.449 19939 6379 1 17 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.283 -0.823 19939 6380 1 17 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.333 1.708 19939 6381 1 17 . 1 1 109 109 TYR H H 109 8.894 8.894 7.935 0.959 19939 6382 1 17 . 1 1 110 110 PHE N N 110 117.355 117.355 118.590 -1.235 19939 6383 1 17 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.678 0.167 19939 6384 1 17 . 1 1 110 110 PHE C C 110 175.425 175.425 175.797 -0.372 19939 6385 1 17 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.397 0.300 19939 6386 1 17 . 1 1 110 110 PHE CB C 110 44.118 44.118 42.576 1.542 19939 6387 1 17 . 1 1 110 110 PHE H H 110 8.898 8.898 8.317 0.581 19939 6388 1 17 . 1 1 111 111 ILE N N 111 121.807 121.807 121.895 -0.088 19939 6389 1 17 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.157 0.073 19939 6390 1 17 . 1 1 111 111 ILE C C 111 176.355 176.355 175.610 0.745 19939 6391 1 17 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.987 -0.008 19939 6392 1 17 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.888 -0.987 19939 6393 1 17 . 1 1 111 111 ILE H H 111 9.660 9.660 9.200 0.460 19939 6394 1 17 . 1 1 112 112 SER N N 112 126.063 126.063 123.080 2.983 19939 6395 1 17 . 1 1 112 112 SER HA H 112 3.051 3.051 4.007 -0.956 19939 6396 1 17 . 1 1 112 112 SER CA C 112 56.697 56.697 55.561 1.136 19939 6397 1 17 . 1 1 112 112 SER CB C 112 63.153 63.153 63.138 0.015 19939 6398 1 17 . 1 1 112 112 SER H H 112 9.416 9.416 8.178 1.238 19939 6399 1 17 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.162 0.097 19939 6400 1 17 . 1 1 113 113 PRO C C 113 177.214 177.214 177.569 -0.355 19939 6401 1 17 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.907 0.007 19939 6402 1 17 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.706 -0.278 19939 6403 1 17 . 1 1 114 114 GLN N N 114 112.298 112.298 114.327 -2.029 19939 6404 1 17 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.250 0.133 19939 6405 1 17 . 1 1 114 114 GLN C C 114 175.990 175.990 176.983 -0.993 19939 6406 1 17 . 1 1 114 114 GLN CA C 114 55.814 55.814 56.067 -0.253 19939 6407 1 17 . 1 1 114 114 GLN CB C 114 28.649 28.649 29.192 -0.542 19939 6408 1 17 . 1 1 114 114 GLN H H 114 7.175 7.175 7.804 -0.629 19939 6409 1 17 . 1 1 115 115 GLY N N 115 108.911 108.911 106.624 2.287 19939 6410 1 17 . 1 1 115 115 GLY C C 115 174.162 174.162 173.230 0.932 19939 6411 1 17 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.012 0.307 19939 6412 1 17 . 1 1 115 115 GLY H H 115 8.150 8.150 7.889 0.261 19939 6413 1 17 . 1 1 116 116 LEU N N 116 121.038 121.038 120.497 0.541 19939 6414 1 17 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.045 0.137 19939 6415 1 17 . 1 1 116 116 LEU C C 116 175.187 175.187 175.812 -0.625 19939 6416 1 17 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.275 0.497 19939 6417 1 17 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.063 0.480 19939 6418 1 17 . 1 1 116 116 LEU H H 116 7.166 7.166 7.390 -0.224 19939 6419 1 17 . 1 1 117 117 LYS N N 117 121.584 121.584 120.560 1.024 19939 6420 1 17 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.999 0.270 19939 6421 1 17 . 1 1 117 117 LYS C C 117 175.984 175.984 175.609 0.375 19939 6422 1 17 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.127 0.306 19939 6423 1 17 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.317 0.246 19939 6424 1 17 . 1 1 117 117 LYS H H 117 8.238 8.238 7.920 0.318 19939 6425 1 17 . 1 1 118 118 PHE N N 118 121.828 121.828 121.099 0.729 19939 6426 1 17 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.852 0.060 19939 6427 1 17 . 1 1 118 118 PHE C C 118 176.449 176.449 175.492 0.957 19939 6428 1 17 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.288 0.718 19939 6429 1 17 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.205 0.763 19939 6430 1 17 . 1 1 118 118 PHE H H 118 9.639 9.639 8.368 1.271 19939 6431 1 17 . 1 1 119 119 ARG N N 119 119.546 119.546 121.275 -1.729 19939 6432 1 17 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.809 0.302 19939 6433 1 17 . 1 1 119 119 ARG C C 119 174.704 174.704 175.681 -0.977 19939 6434 1 17 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.963 -0.792 19939 6435 1 17 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.687 0.133 19939 6436 1 17 . 1 1 119 119 ARG H H 119 9.589 9.589 8.723 0.865 19939 6437 1 17 . 1 1 120 120 SER N N 120 110.737 110.737 116.236 -5.499 19939 6438 1 17 . 1 1 120 120 SER HA H 120 4.341 4.341 4.768 -0.427 19939 6439 1 17 . 1 1 120 120 SER C C 120 172.793 172.793 174.705 -1.912 19939 6440 1 17 . 1 1 120 120 SER CA C 120 56.032 56.032 56.878 -0.846 19939 6441 1 17 . 1 1 120 120 SER CB C 120 66.492 66.492 64.605 1.887 19939 6442 1 17 . 1 1 120 120 SER H H 120 7.625 7.625 7.875 -0.250 19939 6443 1 17 . 1 1 121 121 LYS N N 121 125.451 125.451 126.467 -1.016 19939 6444 1 17 . 1 1 121 121 LYS HA H 121 3.634 3.634 3.585 0.049 19939 6445 1 17 . 1 1 121 121 LYS C C 121 178.826 178.826 178.090 0.736 19939 6446 1 17 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.009 0.626 19939 6447 1 17 . 1 1 121 121 LYS CB C 121 31.154 31.154 31.673 -0.519 19939 6448 1 17 . 1 1 121 121 LYS H H 121 8.816 8.816 8.771 0.045 19939 6449 1 17 . 1 1 122 122 SER N N 122 115.374 115.374 115.910 -0.536 19939 6450 1 17 . 1 1 122 122 SER HA H 122 4.136 4.136 4.169 -0.033 19939 6451 1 17 . 1 1 122 122 SER C C 122 177.427 177.427 176.384 1.043 19939 6452 1 17 . 1 1 122 122 SER CA C 122 61.492 61.492 61.641 -0.149 19939 6453 1 17 . 1 1 122 122 SER CB C 122 62.342 62.342 62.691 -0.349 19939 6454 1 17 . 1 1 122 122 SER H H 122 8.834 8.834 7.847 0.987 19939 6455 1 17 . 1 1 123 123 SER N N 123 118.263 118.263 118.282 -0.019 19939 6456 1 17 . 1 1 123 123 SER HA H 123 4.418 4.418 4.210 0.208 19939 6457 1 17 . 1 1 123 123 SER C C 123 178.017 178.017 176.399 1.618 19939 6458 1 17 . 1 1 123 123 SER CA C 123 61.540 61.540 61.488 0.052 19939 6459 1 17 . 1 1 123 123 SER CB C 123 62.967 62.967 62.975 -0.008 19939 6460 1 17 . 1 1 123 123 SER H H 123 8.043 8.043 7.802 0.241 19939 6461 1 17 . 1 1 124 124 LEU N N 124 126.780 126.780 122.740 4.040 19939 6462 1 17 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.561 0.087 19939 6463 1 17 . 1 1 124 124 LEU C C 124 177.987 177.987 177.730 0.257 19939 6464 1 17 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.747 0.516 19939 6465 1 17 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.219 1.082 19939 6466 1 17 . 1 1 124 124 LEU H H 124 7.686 7.686 7.600 0.086 19939 6467 1 17 . 1 1 125 125 ALA N N 125 121.665 121.665 120.058 1.607 19939 6468 1 17 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.886 -0.196 19939 6469 1 17 . 1 1 125 125 ALA C C 125 180.032 180.032 179.459 0.573 19939 6470 1 17 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.097 0.590 19939 6471 1 17 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.113 -0.233 19939 6472 1 17 . 1 1 125 125 ALA H H 125 8.912 8.912 7.832 1.080 19939 6473 1 17 . 1 1 126 126 ASN N N 126 115.720 115.720 118.059 -2.339 19939 6474 1 17 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.507 -0.014 19939 6475 1 17 . 1 1 126 126 ASN C C 126 177.174 177.174 176.971 0.203 19939 6476 1 17 . 1 1 126 126 ASN CA C 126 56.371 56.371 56.225 0.146 19939 6477 1 17 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.869 -0.346 19939 6478 1 17 . 1 1 126 126 ASN H H 126 7.963 7.963 7.789 0.174 19939 6479 1 17 . 1 1 127 127 TYR N N 127 121.605 121.605 122.401 -0.796 19939 6480 1 17 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.222 0.067 19939 6481 1 17 . 1 1 127 127 TYR C C 127 177.895 177.895 177.843 0.052 19939 6482 1 17 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.586 -0.010 19939 6483 1 17 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.307 0.744 19939 6484 1 17 . 1 1 127 127 TYR H H 127 7.746 7.746 8.446 -0.700 19939 6485 1 17 . 1 1 128 128 LEU N N 128 119.365 119.365 117.918 1.447 19939 6486 1 17 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.380 0.418 19939 6487 1 17 . 1 1 128 128 LEU C C 128 179.418 179.418 178.719 0.699 19939 6488 1 17 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.810 -0.074 19939 6489 1 17 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.336 -0.443 19939 6490 1 17 . 1 1 128 128 LEU H H 128 8.600 8.600 8.095 0.505 19939 6491 1 17 . 1 1 129 129 HIS N N 129 115.982 115.982 117.870 -1.888 19939 6492 1 17 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.181 0.333 19939 6493 1 17 . 1 1 129 129 HIS C C 129 178.014 178.014 177.762 0.252 19939 6494 1 17 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.554 -1.476 19939 6495 1 17 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.922 -0.576 19939 6496 1 17 . 1 1 129 129 HIS H H 129 8.041 8.041 7.719 0.322 19939 6497 1 17 . 1 1 130 130 LYS N N 130 119.804 119.804 118.836 0.968 19939 6498 1 17 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.139 -0.057 19939 6499 1 17 . 1 1 130 130 LYS C C 130 177.320 177.320 178.532 -1.212 19939 6500 1 17 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.583 -0.222 19939 6501 1 17 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.497 0.073 19939 6502 1 17 . 1 1 130 130 LYS H H 130 8.136 8.136 7.955 0.181 19939 6503 1 17 . 1 1 131 131 ASN N N 131 115.918 115.918 115.221 0.697 19939 6504 1 17 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.586 0.070 19939 6505 1 17 . 1 1 131 131 ASN C C 131 175.335 175.335 176.209 -0.874 19939 6506 1 17 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.415 0.175 19939 6507 1 17 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.284 -0.004 19939 6508 1 17 . 1 1 131 131 ASN H H 131 7.663 7.663 7.611 0.052 19939 6509 1 17 . 1 1 132 132 GLY N N 132 108.472 108.472 106.968 1.504 19939 6510 1 17 . 1 1 132 132 GLY C C 132 174.647 174.647 174.732 -0.085 19939 6511 1 17 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.431 0.898 19939 6512 1 17 . 1 1 132 132 GLY H H 132 7.854 7.854 7.829 0.025 19939 6513 1 17 . 1 1 133 133 GLU N N 133 120.028 120.028 119.908 0.120 19939 6514 1 17 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.193 0.167 19939 6515 1 17 . 1 1 133 133 GLU C C 133 177.324 177.324 177.364 -0.040 19939 6516 1 17 . 1 1 133 133 GLU CA C 133 56.712 56.712 57.785 -1.073 19939 6517 1 17 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.199 -0.310 19939 6518 1 17 . 1 1 133 133 GLU H H 133 8.142 8.142 7.657 0.485 19939 6519 1 17 . 1 1 134 134 THR N N 134 114.986 114.986 108.060 6.926 19939 6520 1 17 . 1 1 134 134 THR HA H 134 4.362 4.362 3.870 0.492 19939 6521 1 17 . 1 1 134 134 THR C C 134 174.926 174.926 174.891 0.035 19939 6522 1 17 . 1 1 134 134 THR CA C 134 62.028 62.028 63.170 -1.143 19939 6523 1 17 . 1 1 134 134 THR CB C 134 69.927 69.927 67.616 2.311 19939 6524 1 17 . 1 1 134 134 THR H H 134 8.363 8.363 7.627 0.736 19939 6525 1 17 . 1 1 135 135 SER N N 135 118.353 118.353 117.139 1.214 19939 6526 1 17 . 1 1 135 135 SER HA H 135 4.530 4.530 4.210 0.320 19939 6527 1 17 . 1 1 135 135 SER C C 135 174.284 174.284 175.016 -0.732 19939 6528 1 17 . 1 1 135 135 SER CA C 135 59.506 59.506 61.064 -1.558 19939 6529 1 17 . 1 1 135 135 SER CB C 135 63.812 63.812 63.106 0.706 19939 6530 1 17 . 1 1 135 135 SER H H 135 8.580 8.580 8.356 0.224 19939 6531 1 17 . 1 1 136 136 LEU N N 136 122.995 122.995 121.172 1.823 19939 6532 1 17 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.406 0.050 19939 6533 1 17 . 1 1 136 136 LEU C C 136 175.105 175.105 175.839 -0.734 19939 6534 1 17 . 1 1 136 136 LEU CA C 136 54.521 54.521 54.451 0.070 19939 6535 1 17 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.672 1.804 19939 6536 1 17 . 1 1 136 136 LEU H H 136 8.048 8.048 7.766 0.282 19939 6537 1 17 . 1 1 137 137 LYS N N 137 121.086 121.086 120.026 1.060 19939 6538 1 17 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.833 -0.767 19939 6539 1 17 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.743 0.458 19939 6540 1 17 . 1 1 137 137 LYS H H 137 8.786 8.786 9.255 -0.469 19939 6541 1 17 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.072 -0.116 19939 6542 1 17 . 1 1 138 138 PRO C C 138 177.652 177.652 176.497 1.155 19939 6543 1 17 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.075 0.962 19939 6544 1 17 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.936 -0.467 19939 6545 1 17 . 1 1 139 139 GLU N N 139 113.380 113.380 114.236 -0.856 19939 6546 1 17 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.489 -0.344 19939 6547 1 17 . 1 1 139 139 GLU C C 139 176.688 176.688 176.323 0.365 19939 6548 1 17 . 1 1 139 139 GLU CA C 139 58.771 58.771 56.432 2.339 19939 6549 1 17 . 1 1 139 139 GLU CB C 139 28.534 28.534 29.348 -0.814 19939 6550 1 17 . 1 1 139 139 GLU H H 139 8.889 8.889 8.203 0.686 19939 6551 1 17 . 1 1 140 140 ASP N N 140 119.519 119.519 120.121 -0.602 19939 6552 1 17 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.518 -0.214 19939 6553 1 17 . 1 1 140 140 ASP C C 140 174.537 174.537 176.372 -1.835 19939 6554 1 17 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.329 0.579 19939 6555 1 17 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.124 -0.251 19939 6556 1 17 . 1 1 140 140 ASP H H 140 8.027 8.027 8.328 -0.301 19939 6557 1 17 . 1 1 141 141 PHE N N 141 118.825 118.825 119.622 -0.797 19939 6558 1 17 . 1 1 141 141 PHE HA H 141 3.867 3.867 3.914 -0.047 19939 6559 1 17 . 1 1 141 141 PHE C C 141 173.522 173.522 174.351 -0.829 19939 6560 1 17 . 1 1 141 141 PHE CA C 141 57.268 57.268 57.115 0.153 19939 6561 1 17 . 1 1 141 141 PHE CB C 141 39.479 39.479 38.321 1.158 19939 6562 1 17 . 1 1 141 141 PHE H H 141 7.539 7.539 7.771 -0.232 19939 6563 1 17 . 1 1 142 142 ASP N N 142 122.733 122.733 124.995 -2.262 19939 6564 1 17 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.185 0.697 19939 6565 1 17 . 1 1 142 142 ASP C C 142 176.424 176.424 174.902 1.522 19939 6566 1 17 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.366 1.257 19939 6567 1 17 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.559 -1.876 19939 6568 1 17 . 1 1 142 142 ASP H H 142 8.546 8.546 7.921 0.625 19939 6569 1 17 . 1 1 143 143 PHE N N 143 127.545 127.545 123.863 3.682 19939 6570 1 17 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.782 -0.274 19939 6571 1 17 . 1 1 143 143 PHE C C 143 174.878 174.878 175.798 -0.920 19939 6572 1 17 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.298 0.704 19939 6573 1 17 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.258 0.246 19939 6574 1 17 . 1 1 143 143 PHE H H 143 9.406 9.406 8.385 1.021 19939 6575 1 17 . 1 1 144 144 THR N N 144 114.719 114.719 120.252 -5.533 19939 6576 1 17 . 1 1 144 144 THR HA H 144 4.581 4.581 4.555 0.026 19939 6577 1 17 . 1 1 144 144 THR CA C 144 62.519 62.519 61.652 0.867 19939 6578 1 17 . 1 1 144 144 THR CB C 144 70.241 70.241 72.077 -1.836 19939 6579 1 17 . 1 1 144 144 THR H H 144 8.360 8.360 8.301 0.059 19939 6580 1 17 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.244 -0.252 19939 6581 1 17 . 1 1 145 145 VAL C C 145 176.097 176.097 176.032 0.065 19939 6582 1 17 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.322 -0.580 19939 6583 1 17 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.977 0.538 19939 6584 1 17 . 1 1 145 145 VAL H H 145 8.856 8.856 8.506 0.350 19939 6585 1 17 . 1 1 146 146 LEU N N 146 124.454 124.454 120.990 3.464 19939 6586 1 17 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.302 0.064 19939 6587 1 17 . 1 1 146 146 LEU C C 146 176.924 176.924 177.771 -0.847 19939 6588 1 17 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.047 -1.084 19939 6589 1 17 . 1 1 146 146 LEU CB C 146 42.438 42.438 42.272 0.166 19939 6590 1 17 . 1 1 146 146 LEU H H 146 8.082 8.082 7.632 0.450 19939 6591 1 17 . 1 1 147 147 SER N N 147 117.581 117.581 109.848 7.733 19939 6592 1 17 . 1 1 147 147 SER HA H 147 4.589 4.589 4.597 -0.008 19939 6593 1 17 . 1 1 147 147 SER C C 147 173.419 173.419 173.005 0.414 19939 6594 1 17 . 1 1 147 147 SER CA C 147 58.281 58.281 57.508 0.773 19939 6595 1 17 . 1 1 147 147 SER CB C 147 63.886 63.886 64.187 -0.301 19939 6596 1 17 . 1 1 147 147 SER H H 147 8.216 8.216 7.901 0.315 19939 6597 1 18 . 1 1 79 79 SER C C 79 174.960 174.960 175.103 -0.143 19939 6598 1 18 . 1 1 79 79 SER CA C 79 58.539 58.539 58.184 0.355 19939 6599 1 18 . 1 1 79 79 SER CB C 79 64.005 64.005 63.742 0.263 19939 6600 1 18 . 1 1 80 80 THR N N 80 115.664 115.664 119.261 -3.597 19939 6601 1 18 . 1 1 80 80 THR HA H 80 4.389 4.389 4.514 -0.125 19939 6602 1 18 . 1 1 80 80 THR C C 80 174.574 174.574 173.622 0.952 19939 6603 1 18 . 1 1 80 80 THR CA C 80 62.123 62.123 62.692 -0.569 19939 6604 1 18 . 1 1 80 80 THR CB C 80 69.660 69.660 69.235 0.425 19939 6605 1 18 . 1 1 80 80 THR H H 80 8.340 8.340 8.501 -0.161 19939 6606 1 18 . 1 1 81 81 GLU N N 81 123.120 123.120 119.818 3.302 19939 6607 1 18 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.491 -0.176 19939 6608 1 18 . 1 1 81 81 GLU C C 81 176.123 176.123 174.620 1.503 19939 6609 1 18 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.115 0.557 19939 6610 1 18 . 1 1 81 81 GLU CB C 81 30.260 30.260 31.872 -1.612 19939 6611 1 18 . 1 1 81 81 GLU H H 81 8.434 8.434 7.941 0.493 19939 6612 1 18 . 1 1 82 82 CYS N N 82 120.924 120.924 121.666 -0.742 19939 6613 1 18 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.810 -0.325 19939 6614 1 18 . 1 1 82 82 CYS C C 82 174.341 174.341 174.531 -0.190 19939 6615 1 18 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.931 0.525 19939 6616 1 18 . 1 1 82 82 CYS CB C 82 27.989 27.989 30.484 -2.495 19939 6617 1 18 . 1 1 82 82 CYS H H 82 8.392 8.392 8.458 -0.066 19939 6618 1 18 . 1 1 83 83 ARG N N 83 124.156 124.156 118.655 5.501 19939 6619 1 18 . 1 1 83 83 ARG HA H 83 4.367 4.367 3.958 0.409 19939 6620 1 18 . 1 1 83 83 ARG C C 83 176.140 176.140 174.956 1.184 19939 6621 1 18 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.909 -1.641 19939 6622 1 18 . 1 1 83 83 ARG CB C 83 30.862 30.862 28.471 2.391 19939 6623 1 18 . 1 1 83 83 ARG H H 83 8.478 8.478 8.451 0.027 19939 6624 1 18 . 1 1 84 84 LYS N N 84 122.766 122.766 120.422 2.344 19939 6625 1 18 . 1 1 84 84 LYS C C 84 176.555 176.555 175.348 1.207 19939 6626 1 18 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.938 -0.963 19939 6627 1 18 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.402 1.932 19939 6628 1 18 . 1 1 84 84 LYS H H 84 8.413 8.413 8.060 0.353 19939 6629 1 18 . 1 1 85 85 SER N N 85 118.305 118.305 116.270 2.035 19939 6630 1 18 . 1 1 85 85 SER HA H 85 4.408 4.408 4.531 -0.123 19939 6631 1 18 . 1 1 85 85 SER C C 85 173.669 173.669 172.603 1.066 19939 6632 1 18 . 1 1 85 85 SER CA C 85 58.288 58.288 58.957 -0.669 19939 6633 1 18 . 1 1 85 85 SER CB C 85 63.932 63.932 64.600 -0.668 19939 6634 1 18 . 1 1 85 85 SER H H 85 8.440 8.440 8.163 0.277 19939 6635 1 18 . 1 1 86 86 VAL N N 86 123.628 123.628 123.478 0.150 19939 6636 1 18 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.442 -0.157 19939 6637 1 18 . 1 1 86 86 VAL CA C 86 60.169 60.169 60.145 0.024 19939 6638 1 18 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.593 0.787 19939 6639 1 18 . 1 1 86 86 VAL H H 86 8.279 8.279 8.229 0.050 19939 6640 1 18 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.310 -0.109 19939 6641 1 18 . 1 1 87 87 PRO C C 87 175.673 175.673 176.495 -0.822 19939 6642 1 18 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.814 0.808 19939 6643 1 18 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.005 0.035 19939 6644 1 18 . 1 1 88 88 CYS N N 88 120.983 120.983 121.396 -0.413 19939 6645 1 18 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.366 -0.122 19939 6646 1 18 . 1 1 88 88 CYS C C 88 176.345 176.345 176.377 -0.032 19939 6647 1 18 . 1 1 88 88 CYS CA C 88 61.162 61.162 61.308 -0.146 19939 6648 1 18 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.135 -1.215 19939 6649 1 18 . 1 1 88 88 CYS H H 88 8.393 8.393 8.486 -0.093 19939 6650 1 18 . 1 1 89 89 GLY N N 89 115.997 115.997 112.228 3.769 19939 6651 1 18 . 1 1 89 89 GLY C C 89 174.168 174.168 173.847 0.321 19939 6652 1 18 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.903 0.547 19939 6653 1 18 . 1 1 89 89 GLY H H 89 9.011 9.011 8.665 0.346 19939 6654 1 18 . 1 1 90 90 TRP N N 90 121.603 121.603 120.578 1.025 19939 6655 1 18 . 1 1 90 90 TRP HA H 90 4.972 4.972 4.953 0.019 19939 6656 1 18 . 1 1 90 90 TRP C C 90 175.327 175.327 176.601 -1.274 19939 6657 1 18 . 1 1 90 90 TRP CA C 90 57.469 57.469 55.785 1.684 19939 6658 1 18 . 1 1 90 90 TRP CB C 90 29.505 29.505 30.678 -1.173 19939 6659 1 18 . 1 1 90 90 TRP H H 90 8.406 8.406 7.546 0.860 19939 6660 1 18 . 1 1 91 91 GLU N N 91 119.691 119.691 119.677 0.014 19939 6661 1 18 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.829 0.022 19939 6662 1 18 . 1 1 91 91 GLU C C 91 174.309 174.309 175.540 -1.231 19939 6663 1 18 . 1 1 91 91 GLU CA C 91 55.065 55.065 55.275 -0.210 19939 6664 1 18 . 1 1 91 91 GLU CB C 91 33.413 33.413 32.857 0.556 19939 6665 1 18 . 1 1 91 91 GLU H H 91 8.963 8.963 8.431 0.532 19939 6666 1 18 . 1 1 92 92 ARG N N 92 126.749 126.749 122.253 4.496 19939 6667 1 18 . 1 1 92 92 ARG HA H 92 4.435 4.435 5.073 -0.638 19939 6668 1 18 . 1 1 92 92 ARG C C 92 174.635 174.635 175.265 -0.630 19939 6669 1 18 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.129 -0.298 19939 6670 1 18 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.648 0.505 19939 6671 1 18 . 1 1 92 92 ARG H H 92 8.944 8.944 8.589 0.355 19939 6672 1 18 . 1 1 93 93 VAL N N 93 130.450 130.450 124.195 6.255 19939 6673 1 18 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.365 -0.236 19939 6674 1 18 . 1 1 93 93 VAL C C 93 173.391 173.391 173.959 -0.568 19939 6675 1 18 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.739 0.815 19939 6676 1 18 . 1 1 93 93 VAL CB C 93 34.326 34.326 34.822 -0.496 19939 6677 1 18 . 1 1 93 93 VAL H H 93 9.096 9.096 8.365 0.731 19939 6678 1 18 . 1 1 94 94 VAL N N 94 125.534 125.534 121.457 4.077 19939 6679 1 18 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.022 -0.367 19939 6680 1 18 . 1 1 94 94 VAL C C 94 175.830 175.830 174.806 1.024 19939 6681 1 18 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.887 1.408 19939 6682 1 18 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.596 -0.532 19939 6683 1 18 . 1 1 94 94 VAL H H 94 8.341 8.341 8.249 0.092 19939 6684 1 18 . 1 1 95 95 LYS N N 95 128.357 128.357 126.831 1.526 19939 6685 1 18 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.881 0.003 19939 6686 1 18 . 1 1 95 95 LYS C C 95 175.169 175.169 175.590 -0.421 19939 6687 1 18 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.030 -0.294 19939 6688 1 18 . 1 1 95 95 LYS CB C 95 36.190 36.190 34.680 1.510 19939 6689 1 18 . 1 1 95 95 LYS H H 95 9.158 9.158 8.964 0.194 19939 6690 1 18 . 1 1 96 96 GLN N N 96 128.341 128.341 122.641 5.700 19939 6691 1 18 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.785 -0.315 19939 6692 1 18 . 1 1 96 96 GLN C C 96 175.665 175.665 176.029 -0.364 19939 6693 1 18 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.426 0.381 19939 6694 1 18 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.591 -0.472 19939 6695 1 18 . 1 1 96 96 GLN H H 96 8.943 8.943 8.556 0.387 19939 6696 1 18 . 1 1 97 97 ARG N N 97 127.147 127.147 123.071 4.076 19939 6697 1 18 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.504 -0.065 19939 6698 1 18 . 1 1 97 97 ARG C C 97 178.214 178.214 175.379 2.835 19939 6699 1 18 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.067 1.652 19939 6700 1 18 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.951 -0.626 19939 6701 1 18 . 1 1 97 97 ARG H H 97 9.117 9.117 8.159 0.958 19939 6702 1 18 . 1 1 98 98 LEU N N 98 125.934 125.934 124.498 1.436 19939 6703 1 18 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.405 -0.063 19939 6704 1 18 . 1 1 98 98 LEU C C 98 176.647 176.647 176.518 0.129 19939 6705 1 18 . 1 1 98 98 LEU CA C 98 55.683 55.683 55.008 0.675 19939 6706 1 18 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.350 2.713 19939 6707 1 18 . 1 1 98 98 LEU H H 98 9.054 9.054 9.028 0.026 19939 6708 1 18 . 1 1 99 99 PHE N N 99 119.325 119.325 119.686 -0.361 19939 6709 1 18 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.735 0.216 19939 6710 1 18 . 1 1 99 99 PHE C C 99 173.854 173.854 177.014 -3.160 19939 6711 1 18 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.943 -1.239 19939 6712 1 18 . 1 1 99 99 PHE CB C 99 42.755 42.755 38.489 4.266 19939 6713 1 18 . 1 1 99 99 PHE H H 99 8.245 8.245 7.788 0.457 19939 6714 1 18 . 1 1 100 100 GLY N N 100 104.714 104.714 108.176 -3.462 19939 6715 1 18 . 1 1 100 100 GLY C C 100 176.173 176.173 175.452 0.721 19939 6716 1 18 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.283 -1.159 19939 6717 1 18 . 1 1 100 100 GLY H H 100 8.111 8.111 8.286 -0.175 19939 6718 1 18 . 1 1 101 101 LYS N N 101 122.597 122.597 121.065 1.532 19939 6719 1 18 . 1 1 101 101 LYS HA H 101 4.112 4.112 3.972 0.140 19939 6720 1 18 . 1 1 101 101 LYS C C 101 179.615 179.615 176.978 2.637 19939 6721 1 18 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.476 1.194 19939 6722 1 18 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.368 0.406 19939 6723 1 18 . 1 1 101 101 LYS H H 101 9.134 9.134 8.598 0.536 19939 6724 1 18 . 1 1 102 102 THR N N 102 108.650 108.650 109.089 -0.439 19939 6725 1 18 . 1 1 102 102 THR HA H 102 4.339 4.339 4.291 0.048 19939 6726 1 18 . 1 1 102 102 THR C C 102 172.966 172.966 174.092 -1.126 19939 6727 1 18 . 1 1 102 102 THR CA C 102 61.304 61.304 61.460 -0.156 19939 6728 1 18 . 1 1 102 102 THR CB C 102 68.948 68.948 68.006 0.942 19939 6729 1 18 . 1 1 102 102 THR H H 102 8.982 8.982 7.606 1.376 19939 6730 1 18 . 1 1 103 103 ALA N N 103 123.171 123.171 123.504 -0.333 19939 6731 1 18 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.892 -0.525 19939 6732 1 18 . 1 1 103 103 ALA C C 103 178.082 178.082 177.821 0.261 19939 6733 1 18 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.552 0.563 19939 6734 1 18 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.928 -0.987 19939 6735 1 18 . 1 1 103 103 ALA H H 103 6.932 6.932 7.792 -0.860 19939 6736 1 18 . 1 1 104 104 GLY N N 104 111.443 111.443 107.614 3.829 19939 6737 1 18 . 1 1 104 104 GLY C C 104 175.274 175.274 174.499 0.775 19939 6738 1 18 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.959 -0.475 19939 6739 1 18 . 1 1 104 104 GLY H H 104 8.545 8.545 8.783 -0.238 19939 6740 1 18 . 1 1 105 105 ARG N N 105 119.647 119.647 121.540 -1.893 19939 6741 1 18 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.296 0.121 19939 6742 1 18 . 1 1 105 105 ARG C C 105 174.184 174.184 175.178 -0.994 19939 6743 1 18 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.803 0.941 19939 6744 1 18 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.037 -0.296 19939 6745 1 18 . 1 1 105 105 ARG H H 105 7.646 7.646 7.528 0.118 19939 6746 1 18 . 1 1 106 106 PHE N N 106 117.619 117.619 120.122 -2.503 19939 6747 1 18 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.640 0.783 19939 6748 1 18 . 1 1 106 106 PHE C C 106 175.443 175.443 175.490 -0.047 19939 6749 1 18 . 1 1 106 106 PHE CA C 106 57.188 57.188 58.034 -0.846 19939 6750 1 18 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.299 2.229 19939 6751 1 18 . 1 1 106 106 PHE H H 106 8.745 8.745 8.513 0.232 19939 6752 1 18 . 1 1 107 107 ASP N N 107 119.340 119.340 127.220 -7.880 19939 6753 1 18 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.216 -0.038 19939 6754 1 18 . 1 1 107 107 ASP C C 107 173.615 173.615 174.623 -1.008 19939 6755 1 18 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.926 -0.223 19939 6756 1 18 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.205 2.085 19939 6757 1 18 . 1 1 107 107 ASP H H 107 8.858 8.858 8.450 0.408 19939 6758 1 18 . 1 1 108 108 VAL N N 108 121.639 121.639 118.667 2.972 19939 6759 1 18 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.290 -0.377 19939 6760 1 18 . 1 1 108 108 VAL C C 108 174.762 174.762 174.173 0.589 19939 6761 1 18 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.437 1.395 19939 6762 1 18 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.254 -1.315 19939 6763 1 18 . 1 1 108 108 VAL H H 108 8.550 8.550 8.580 -0.030 19939 6764 1 18 . 1 1 109 109 TYR N N 109 121.685 121.685 118.065 3.620 19939 6765 1 18 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.218 0.201 19939 6766 1 18 . 1 1 109 109 TYR C C 109 173.430 173.430 173.858 -0.428 19939 6767 1 18 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.349 -0.889 19939 6768 1 18 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.916 2.125 19939 6769 1 18 . 1 1 109 109 TYR H H 109 8.894 8.894 7.859 1.035 19939 6770 1 18 . 1 1 110 110 PHE N N 110 117.355 117.355 117.627 -0.272 19939 6771 1 18 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.654 0.191 19939 6772 1 18 . 1 1 110 110 PHE C C 110 175.425 175.425 174.382 1.043 19939 6773 1 18 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.310 1.387 19939 6774 1 18 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.239 2.879 19939 6775 1 18 . 1 1 110 110 PHE H H 110 8.898 8.898 8.171 0.727 19939 6776 1 18 . 1 1 111 111 ILE N N 111 121.807 121.807 124.020 -2.213 19939 6777 1 18 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.418 0.812 19939 6778 1 18 . 1 1 111 111 ILE C C 111 176.355 176.355 175.862 0.493 19939 6779 1 18 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.994 -0.015 19939 6780 1 18 . 1 1 111 111 ILE CB C 111 39.901 39.901 39.946 -0.045 19939 6781 1 18 . 1 1 111 111 ILE H H 111 9.660 9.660 8.632 1.028 19939 6782 1 18 . 1 1 112 112 SER N N 112 126.063 126.063 122.863 3.200 19939 6783 1 18 . 1 1 112 112 SER HA H 112 3.051 3.051 4.223 -1.172 19939 6784 1 18 . 1 1 112 112 SER CA C 112 56.697 56.697 56.169 0.528 19939 6785 1 18 . 1 1 112 112 SER CB C 112 63.153 63.153 62.268 0.885 19939 6786 1 18 . 1 1 112 112 SER H H 112 9.416 9.416 8.111 1.305 19939 6787 1 18 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.403 -0.144 19939 6788 1 18 . 1 1 113 113 PRO C C 113 177.214 177.214 176.802 0.412 19939 6789 1 18 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.635 0.279 19939 6790 1 18 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.694 -0.266 19939 6791 1 18 . 1 1 114 114 GLN N N 114 112.298 112.298 116.602 -4.304 19939 6792 1 18 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.345 0.038 19939 6793 1 18 . 1 1 114 114 GLN C C 114 175.990 175.990 177.156 -1.166 19939 6794 1 18 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.654 0.160 19939 6795 1 18 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.074 0.575 19939 6796 1 18 . 1 1 114 114 GLN H H 114 7.175 7.175 8.026 -0.851 19939 6797 1 18 . 1 1 115 115 GLY N N 115 108.911 108.911 107.530 1.381 19939 6798 1 18 . 1 1 115 115 GLY C C 115 174.162 174.162 173.915 0.247 19939 6799 1 18 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.544 -0.225 19939 6800 1 18 . 1 1 115 115 GLY H H 115 8.150 8.150 8.086 0.064 19939 6801 1 18 . 1 1 116 116 LEU N N 116 121.038 121.038 120.443 0.595 19939 6802 1 18 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.134 0.048 19939 6803 1 18 . 1 1 116 116 LEU C C 116 175.187 175.187 175.874 -0.687 19939 6804 1 18 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.085 0.687 19939 6805 1 18 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.492 0.051 19939 6806 1 18 . 1 1 116 116 LEU H H 116 7.166 7.166 7.500 -0.334 19939 6807 1 18 . 1 1 117 117 LYS N N 117 121.584 121.584 120.683 0.901 19939 6808 1 18 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.028 1.241 19939 6809 1 18 . 1 1 117 117 LYS C C 117 175.984 175.984 174.773 1.211 19939 6810 1 18 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.441 -0.007 19939 6811 1 18 . 1 1 117 117 LYS CB C 117 34.563 34.563 33.804 0.759 19939 6812 1 18 . 1 1 117 117 LYS H H 117 8.238 8.238 7.781 0.457 19939 6813 1 18 . 1 1 118 118 PHE N N 118 121.828 121.828 122.419 -0.591 19939 6814 1 18 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.553 0.359 19939 6815 1 18 . 1 1 118 118 PHE C C 118 176.449 176.449 173.859 2.590 19939 6816 1 18 . 1 1 118 118 PHE CA C 118 58.006 58.006 56.971 1.035 19939 6817 1 18 . 1 1 118 118 PHE CB C 118 42.968 42.968 41.948 1.020 19939 6818 1 18 . 1 1 118 118 PHE H H 118 9.639 9.639 7.722 1.917 19939 6819 1 18 . 1 1 119 119 ARG N N 119 119.546 119.546 119.606 -0.060 19939 6820 1 18 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.494 0.617 19939 6821 1 18 . 1 1 119 119 ARG C C 119 174.704 174.704 175.302 -0.598 19939 6822 1 18 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.640 -0.469 19939 6823 1 18 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.485 0.335 19939 6824 1 18 . 1 1 119 119 ARG H H 119 9.589 9.589 8.689 0.900 19939 6825 1 18 . 1 1 120 120 SER N N 120 110.737 110.737 115.791 -5.054 19939 6826 1 18 . 1 1 120 120 SER HA H 120 4.341 4.341 4.729 -0.388 19939 6827 1 18 . 1 1 120 120 SER C C 120 172.793 172.793 174.534 -1.741 19939 6828 1 18 . 1 1 120 120 SER CA C 120 56.032 56.032 56.284 -0.252 19939 6829 1 18 . 1 1 120 120 SER CB C 120 66.492 66.492 65.429 1.063 19939 6830 1 18 . 1 1 120 120 SER H H 120 7.625 7.625 7.683 -0.058 19939 6831 1 18 . 1 1 121 121 LYS N N 121 125.451 125.451 126.063 -0.612 19939 6832 1 18 . 1 1 121 121 LYS HA H 121 3.634 3.634 3.847 -0.213 19939 6833 1 18 . 1 1 121 121 LYS C C 121 178.826 178.826 178.238 0.588 19939 6834 1 18 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.901 -0.266 19939 6835 1 18 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.239 -1.085 19939 6836 1 18 . 1 1 121 121 LYS H H 121 8.816 8.816 8.895 -0.079 19939 6837 1 18 . 1 1 122 122 SER N N 122 115.374 115.374 114.472 0.902 19939 6838 1 18 . 1 1 122 122 SER HA H 122 4.136 4.136 4.179 -0.043 19939 6839 1 18 . 1 1 122 122 SER C C 122 177.427 177.427 176.247 1.180 19939 6840 1 18 . 1 1 122 122 SER CA C 122 61.492 61.492 61.594 -0.102 19939 6841 1 18 . 1 1 122 122 SER CB C 122 62.342 62.342 62.325 0.017 19939 6842 1 18 . 1 1 122 122 SER H H 122 8.834 8.834 7.954 0.880 19939 6843 1 18 . 1 1 123 123 SER N N 123 118.263 118.263 118.850 -0.587 19939 6844 1 18 . 1 1 123 123 SER HA H 123 4.418 4.418 4.193 0.225 19939 6845 1 18 . 1 1 123 123 SER C C 123 178.017 178.017 176.640 1.377 19939 6846 1 18 . 1 1 123 123 SER CA C 123 61.540 61.540 60.882 0.659 19939 6847 1 18 . 1 1 123 123 SER CB C 123 62.967 62.967 62.904 0.063 19939 6848 1 18 . 1 1 123 123 SER H H 123 8.043 8.043 7.615 0.428 19939 6849 1 18 . 1 1 124 124 LEU N N 124 126.780 126.780 122.945 3.835 19939 6850 1 18 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.828 -0.180 19939 6851 1 18 . 1 1 124 124 LEU C C 124 177.987 177.987 177.985 0.002 19939 6852 1 18 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.499 0.764 19939 6853 1 18 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.389 0.912 19939 6854 1 18 . 1 1 124 124 LEU H H 124 7.686 7.686 7.687 -0.001 19939 6855 1 18 . 1 1 125 125 ALA N N 125 121.665 121.665 120.294 1.371 19939 6856 1 18 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.941 -0.251 19939 6857 1 18 . 1 1 125 125 ALA C C 125 180.032 180.032 179.584 0.448 19939 6858 1 18 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.128 0.559 19939 6859 1 18 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.338 -0.458 19939 6860 1 18 . 1 1 125 125 ALA H H 125 8.912 8.912 7.999 0.913 19939 6861 1 18 . 1 1 126 126 ASN N N 126 115.720 115.720 117.370 -1.650 19939 6862 1 18 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.604 -0.111 19939 6863 1 18 . 1 1 126 126 ASN C C 126 177.174 177.174 177.143 0.031 19939 6864 1 18 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.741 0.630 19939 6865 1 18 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.520 0.003 19939 6866 1 18 . 1 1 126 126 ASN H H 126 7.963 7.963 7.835 0.128 19939 6867 1 18 . 1 1 127 127 TYR N N 127 121.605 121.605 123.036 -1.431 19939 6868 1 18 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.138 0.150 19939 6869 1 18 . 1 1 127 127 TYR C C 127 177.895 177.895 177.533 0.362 19939 6870 1 18 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.975 -0.399 19939 6871 1 18 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.019 1.032 19939 6872 1 18 . 1 1 127 127 TYR H H 127 7.746 7.746 8.579 -0.833 19939 6873 1 18 . 1 1 128 128 LEU N N 128 119.365 119.365 118.243 1.122 19939 6874 1 18 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.687 0.111 19939 6875 1 18 . 1 1 128 128 LEU C C 128 179.418 179.418 179.020 0.398 19939 6876 1 18 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.675 0.061 19939 6877 1 18 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.653 -0.760 19939 6878 1 18 . 1 1 128 128 LEU H H 128 8.600 8.600 8.126 0.474 19939 6879 1 18 . 1 1 129 129 HIS N N 129 115.982 115.982 116.645 -0.663 19939 6880 1 18 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.172 0.342 19939 6881 1 18 . 1 1 129 129 HIS C C 129 178.014 178.014 177.314 0.700 19939 6882 1 18 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.099 -1.022 19939 6883 1 18 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.970 -0.624 19939 6884 1 18 . 1 1 129 129 HIS H H 129 8.041 8.041 7.534 0.507 19939 6885 1 18 . 1 1 130 130 LYS N N 130 119.804 119.804 119.121 0.683 19939 6886 1 18 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.991 0.091 19939 6887 1 18 . 1 1 130 130 LYS C C 130 177.320 177.320 178.287 -0.967 19939 6888 1 18 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.440 -0.079 19939 6889 1 18 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.652 -0.082 19939 6890 1 18 . 1 1 130 130 LYS H H 130 8.136 8.136 8.246 -0.110 19939 6891 1 18 . 1 1 131 131 ASN N N 131 115.918 115.918 115.601 0.317 19939 6892 1 18 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.572 0.084 19939 6893 1 18 . 1 1 131 131 ASN C C 131 175.335 175.335 176.229 -0.894 19939 6894 1 18 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.113 0.477 19939 6895 1 18 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.035 1.245 19939 6896 1 18 . 1 1 131 131 ASN H H 131 7.663 7.663 8.110 -0.447 19939 6897 1 18 . 1 1 132 132 GLY N N 132 108.472 108.472 106.373 2.099 19939 6898 1 18 . 1 1 132 132 GLY C C 132 174.647 174.647 173.810 0.837 19939 6899 1 18 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.069 1.260 19939 6900 1 18 . 1 1 132 132 GLY H H 132 7.854 7.854 7.265 0.589 19939 6901 1 18 . 1 1 133 133 GLU N N 133 120.028 120.028 122.600 -2.572 19939 6902 1 18 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.368 -0.008 19939 6903 1 18 . 1 1 133 133 GLU C C 133 177.324 177.324 175.733 1.591 19939 6904 1 18 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.275 1.437 19939 6905 1 18 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.009 -0.120 19939 6906 1 18 . 1 1 133 133 GLU H H 133 8.142 8.142 8.830 -0.688 19939 6907 1 18 . 1 1 134 134 THR N N 134 114.986 114.986 116.021 -1.035 19939 6908 1 18 . 1 1 134 134 THR HA H 134 4.362 4.362 4.497 -0.135 19939 6909 1 18 . 1 1 134 134 THR C C 134 174.926 174.926 175.599 -0.673 19939 6910 1 18 . 1 1 134 134 THR CA C 134 62.028 62.028 62.032 -0.004 19939 6911 1 18 . 1 1 134 134 THR CB C 134 69.927 69.927 69.558 0.369 19939 6912 1 18 . 1 1 134 134 THR H H 134 8.363 8.363 8.114 0.249 19939 6913 1 18 . 1 1 135 135 SER N N 135 118.353 118.353 118.123 0.230 19939 6914 1 18 . 1 1 135 135 SER HA H 135 4.530 4.530 4.275 0.255 19939 6915 1 18 . 1 1 135 135 SER C C 135 174.284 174.284 174.926 -0.642 19939 6916 1 18 . 1 1 135 135 SER CA C 135 59.506 59.506 59.998 -0.492 19939 6917 1 18 . 1 1 135 135 SER CB C 135 63.812 63.812 63.345 0.467 19939 6918 1 18 . 1 1 135 135 SER H H 135 8.580 8.580 8.258 0.322 19939 6919 1 18 . 1 1 136 136 LEU N N 136 122.995 122.995 121.106 1.889 19939 6920 1 18 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.237 0.219 19939 6921 1 18 . 1 1 136 136 LEU C C 136 175.105 175.105 176.171 -1.066 19939 6922 1 18 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.094 -0.573 19939 6923 1 18 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.153 2.323 19939 6924 1 18 . 1 1 136 136 LEU H H 136 8.048 8.048 7.831 0.217 19939 6925 1 18 . 1 1 137 137 LYS N N 137 121.086 121.086 121.787 -0.701 19939 6926 1 18 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.558 -0.492 19939 6927 1 18 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.988 0.213 19939 6928 1 18 . 1 1 137 137 LYS H H 137 8.786 8.786 8.253 0.533 19939 6929 1 18 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.219 -0.263 19939 6930 1 18 . 1 1 138 138 PRO C C 138 177.652 177.652 176.856 0.796 19939 6931 1 18 . 1 1 138 138 PRO CA C 138 66.037 66.037 64.995 1.042 19939 6932 1 18 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.912 -0.443 19939 6933 1 18 . 1 1 139 139 GLU N N 139 113.380 113.380 114.227 -0.847 19939 6934 1 18 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.612 -0.467 19939 6935 1 18 . 1 1 139 139 GLU C C 139 176.688 176.688 176.798 -0.110 19939 6936 1 18 . 1 1 139 139 GLU CA C 139 58.771 58.771 56.716 2.055 19939 6937 1 18 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.794 -0.260 19939 6938 1 18 . 1 1 139 139 GLU H H 139 8.889 8.889 8.145 0.744 19939 6939 1 18 . 1 1 140 140 ASP N N 140 119.519 119.519 119.736 -0.217 19939 6940 1 18 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.648 -0.344 19939 6941 1 18 . 1 1 140 140 ASP C C 140 174.537 174.537 176.797 -2.260 19939 6942 1 18 . 1 1 140 140 ASP CA C 140 55.908 55.908 54.708 1.200 19939 6943 1 18 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.886 -1.013 19939 6944 1 18 . 1 1 140 140 ASP H H 140 8.027 8.027 8.519 -0.492 19939 6945 1 18 . 1 1 141 141 PHE N N 141 118.825 118.825 118.988 -0.163 19939 6946 1 18 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.354 -0.487 19939 6947 1 18 . 1 1 141 141 PHE C C 141 173.522 173.522 174.696 -1.174 19939 6948 1 18 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.335 0.933 19939 6949 1 18 . 1 1 141 141 PHE CB C 141 39.479 39.479 38.974 0.505 19939 6950 1 18 . 1 1 141 141 PHE H H 141 7.539 7.539 7.831 -0.292 19939 6951 1 18 . 1 1 142 142 ASP N N 142 122.733 122.733 126.008 -3.275 19939 6952 1 18 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.433 0.449 19939 6953 1 18 . 1 1 142 142 ASP C C 142 176.424 176.424 174.584 1.840 19939 6954 1 18 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.659 0.964 19939 6955 1 18 . 1 1 142 142 ASP CB C 142 41.683 41.683 41.424 0.259 19939 6956 1 18 . 1 1 142 142 ASP H H 142 8.546 8.546 8.429 0.117 19939 6957 1 18 . 1 1 143 143 PHE N N 143 127.545 127.545 120.614 6.931 19939 6958 1 18 . 1 1 143 143 PHE HA H 143 4.508 4.508 5.133 -0.625 19939 6959 1 18 . 1 1 143 143 PHE C C 143 174.878 174.878 175.216 -0.338 19939 6960 1 18 . 1 1 143 143 PHE CA C 143 59.002 59.002 56.236 2.766 19939 6961 1 18 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.646 -0.142 19939 6962 1 18 . 1 1 143 143 PHE H H 143 9.406 9.406 8.173 1.233 19939 6963 1 18 . 1 1 144 144 THR N N 144 114.719 114.719 118.936 -4.217 19939 6964 1 18 . 1 1 144 144 THR HA H 144 4.581 4.581 4.225 0.356 19939 6965 1 18 . 1 1 144 144 THR CA C 144 62.519 62.519 61.348 1.171 19939 6966 1 18 . 1 1 144 144 THR CB C 144 70.241 70.241 70.162 0.079 19939 6967 1 18 . 1 1 144 144 THR H H 144 8.360 8.360 8.184 0.176 19939 6968 1 18 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.793 0.199 19939 6969 1 18 . 1 1 145 145 VAL C C 145 176.097 176.097 175.102 0.995 19939 6970 1 18 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.561 0.181 19939 6971 1 18 . 1 1 145 145 VAL CB C 145 32.515 32.515 32.034 0.481 19939 6972 1 18 . 1 1 145 145 VAL H H 145 8.856 8.856 8.146 0.710 19939 6973 1 18 . 1 1 146 146 LEU N N 146 124.454 124.454 118.542 5.912 19939 6974 1 18 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.023 0.343 19939 6975 1 18 . 1 1 146 146 LEU C C 146 176.924 176.924 176.598 0.326 19939 6976 1 18 . 1 1 146 146 LEU CA C 146 54.963 54.963 55.829 -0.866 19939 6977 1 18 . 1 1 146 146 LEU CB C 146 42.438 42.438 39.266 3.172 19939 6978 1 18 . 1 1 146 146 LEU H H 146 8.082 8.082 8.168 -0.086 19939 6979 1 18 . 1 1 147 147 SER N N 147 117.581 117.581 118.846 -1.265 19939 6980 1 18 . 1 1 147 147 SER HA H 147 4.589 4.589 4.322 0.267 19939 6981 1 18 . 1 1 147 147 SER C C 147 173.419 173.419 174.646 -1.227 19939 6982 1 18 . 1 1 147 147 SER CA C 147 58.281 58.281 58.731 -0.450 19939 6983 1 18 . 1 1 147 147 SER CB C 147 63.886 63.886 64.014 -0.128 19939 6984 1 18 . 1 1 147 147 SER H H 147 8.216 8.216 8.135 0.081 19939 6985 1 19 . 1 1 79 79 SER C C 79 174.960 174.960 173.472 1.488 19939 6986 1 19 . 1 1 79 79 SER CA C 79 58.539 58.539 58.574 -0.035 19939 6987 1 19 . 1 1 79 79 SER CB C 79 64.005 64.005 63.335 0.670 19939 6988 1 19 . 1 1 80 80 THR N N 80 115.664 115.664 115.126 0.538 19939 6989 1 19 . 1 1 80 80 THR HA H 80 4.389 4.389 4.395 -0.006 19939 6990 1 19 . 1 1 80 80 THR C C 80 174.574 174.574 174.831 -0.257 19939 6991 1 19 . 1 1 80 80 THR CA C 80 62.123 62.123 62.277 -0.154 19939 6992 1 19 . 1 1 80 80 THR CB C 80 69.660 69.660 69.280 0.380 19939 6993 1 19 . 1 1 80 80 THR H H 80 8.340 8.340 7.722 0.618 19939 6994 1 19 . 1 1 81 81 GLU N N 81 123.120 123.120 124.675 -1.555 19939 6995 1 19 . 1 1 81 81 GLU HA H 81 4.315 4.315 3.875 0.440 19939 6996 1 19 . 1 1 81 81 GLU C C 81 176.123 176.123 175.443 0.680 19939 6997 1 19 . 1 1 81 81 GLU CA C 81 56.672 56.672 58.071 -1.399 19939 6998 1 19 . 1 1 81 81 GLU CB C 81 30.260 30.260 28.309 1.950 19939 6999 1 19 . 1 1 81 81 GLU H H 81 8.434 8.434 8.619 -0.185 19939 7000 1 19 . 1 1 82 82 CYS N N 82 120.924 120.924 118.148 2.776 19939 7001 1 19 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.178 0.307 19939 7002 1 19 . 1 1 82 82 CYS C C 82 174.341 174.341 173.616 0.725 19939 7003 1 19 . 1 1 82 82 CYS CA C 82 58.456 58.456 59.555 -1.099 19939 7004 1 19 . 1 1 82 82 CYS CB C 82 27.989 27.989 26.235 1.754 19939 7005 1 19 . 1 1 82 82 CYS H H 82 8.392 8.392 8.259 0.133 19939 7006 1 19 . 1 1 83 83 ARG N N 83 124.156 124.156 118.509 5.647 19939 7007 1 19 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.357 0.010 19939 7008 1 19 . 1 1 83 83 ARG C C 83 176.140 176.140 175.147 0.993 19939 7009 1 19 . 1 1 83 83 ARG CA C 83 56.268 56.268 55.956 0.312 19939 7010 1 19 . 1 1 83 83 ARG CB C 83 30.862 30.862 32.029 -1.167 19939 7011 1 19 . 1 1 83 83 ARG H H 83 8.478 8.478 7.694 0.784 19939 7012 1 19 . 1 1 84 84 LYS N N 84 122.766 122.766 125.718 -2.952 19939 7013 1 19 . 1 1 84 84 LYS C C 84 176.555 176.555 176.605 -0.050 19939 7014 1 19 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.856 -0.881 19939 7015 1 19 . 1 1 84 84 LYS CB C 84 33.334 33.334 33.643 -0.309 19939 7016 1 19 . 1 1 84 84 LYS H H 84 8.413 8.413 8.688 -0.275 19939 7017 1 19 . 1 1 85 85 SER N N 85 118.305 118.305 111.221 7.084 19939 7018 1 19 . 1 1 85 85 SER HA H 85 4.408 4.408 4.498 -0.090 19939 7019 1 19 . 1 1 85 85 SER C C 85 173.669 173.669 172.794 0.875 19939 7020 1 19 . 1 1 85 85 SER CA C 85 58.288 58.288 59.099 -0.811 19939 7021 1 19 . 1 1 85 85 SER CB C 85 63.932 63.932 65.013 -1.081 19939 7022 1 19 . 1 1 85 85 SER H H 85 8.440 8.440 8.019 0.421 19939 7023 1 19 . 1 1 86 86 VAL N N 86 123.628 123.628 122.475 1.153 19939 7024 1 19 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.385 -0.100 19939 7025 1 19 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.907 0.262 19939 7026 1 19 . 1 1 86 86 VAL CB C 86 33.380 33.380 32.420 0.960 19939 7027 1 19 . 1 1 86 86 VAL H H 86 8.279 8.279 7.762 0.517 19939 7028 1 19 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.425 -0.224 19939 7029 1 19 . 1 1 87 87 PRO C C 87 175.673 175.673 176.786 -1.113 19939 7030 1 19 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.642 0.980 19939 7031 1 19 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.253 -0.213 19939 7032 1 19 . 1 1 88 88 CYS N N 88 120.983 120.983 121.905 -0.922 19939 7033 1 19 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.226 0.018 19939 7034 1 19 . 1 1 88 88 CYS C C 88 176.345 176.345 176.382 -0.037 19939 7035 1 19 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.762 0.400 19939 7036 1 19 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.605 -1.685 19939 7037 1 19 . 1 1 88 88 CYS H H 88 8.393 8.393 8.319 0.074 19939 7038 1 19 . 1 1 89 89 GLY N N 89 115.997 115.997 110.882 5.115 19939 7039 1 19 . 1 1 89 89 GLY C C 89 174.168 174.168 173.327 0.841 19939 7040 1 19 . 1 1 89 89 GLY CA C 89 45.450 45.450 44.887 0.563 19939 7041 1 19 . 1 1 89 89 GLY H H 89 9.011 9.011 8.615 0.396 19939 7042 1 19 . 1 1 90 90 TRP N N 90 121.603 121.603 120.230 1.373 19939 7043 1 19 . 1 1 90 90 TRP HA H 90 4.972 4.972 4.815 0.157 19939 7044 1 19 . 1 1 90 90 TRP C C 90 175.327 175.327 175.468 -0.141 19939 7045 1 19 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.446 1.023 19939 7046 1 19 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.130 -1.625 19939 7047 1 19 . 1 1 90 90 TRP H H 90 8.406 8.406 7.490 0.916 19939 7048 1 19 . 1 1 91 91 GLU N N 91 119.691 119.691 120.915 -1.224 19939 7049 1 19 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.813 0.038 19939 7050 1 19 . 1 1 91 91 GLU C C 91 174.309 174.309 175.695 -1.386 19939 7051 1 19 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.694 0.371 19939 7052 1 19 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.485 -0.072 19939 7053 1 19 . 1 1 91 91 GLU H H 91 8.963 8.963 8.674 0.289 19939 7054 1 19 . 1 1 92 92 ARG N N 92 126.749 126.749 123.073 3.676 19939 7055 1 19 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.897 -0.462 19939 7056 1 19 . 1 1 92 92 ARG C C 92 174.635 174.635 175.187 -0.552 19939 7057 1 19 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.304 -0.473 19939 7058 1 19 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.764 0.389 19939 7059 1 19 . 1 1 92 92 ARG H H 92 8.944 8.944 8.561 0.383 19939 7060 1 19 . 1 1 93 93 VAL N N 93 130.450 130.450 123.960 6.490 19939 7061 1 19 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.317 -0.188 19939 7062 1 19 . 1 1 93 93 VAL C C 93 173.391 173.391 173.961 -0.570 19939 7063 1 19 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.471 1.083 19939 7064 1 19 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.431 -1.105 19939 7065 1 19 . 1 1 93 93 VAL H H 93 9.096 9.096 8.867 0.229 19939 7066 1 19 . 1 1 94 94 VAL N N 94 125.534 125.534 120.859 4.675 19939 7067 1 19 . 1 1 94 94 VAL HA H 94 4.655 4.655 5.028 -0.373 19939 7068 1 19 . 1 1 94 94 VAL C C 94 175.830 175.830 174.674 1.156 19939 7069 1 19 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.913 1.383 19939 7070 1 19 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.872 -0.808 19939 7071 1 19 . 1 1 94 94 VAL H H 94 8.341 8.341 8.200 0.141 19939 7072 1 19 . 1 1 95 95 LYS N N 95 128.357 128.357 126.660 1.697 19939 7073 1 19 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.841 0.043 19939 7074 1 19 . 1 1 95 95 LYS C C 95 175.169 175.169 175.568 -0.399 19939 7075 1 19 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.012 -0.276 19939 7076 1 19 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.082 1.108 19939 7077 1 19 . 1 1 95 95 LYS H H 95 9.158 9.158 9.039 0.119 19939 7078 1 19 . 1 1 96 96 GLN N N 96 128.341 128.341 123.047 5.294 19939 7079 1 19 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.644 -0.174 19939 7080 1 19 . 1 1 96 96 GLN C C 96 175.665 175.665 176.428 -0.763 19939 7081 1 19 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.895 -0.088 19939 7082 1 19 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.981 -0.862 19939 7083 1 19 . 1 1 96 96 GLN H H 96 8.943 8.943 8.614 0.329 19939 7084 1 19 . 1 1 97 97 ARG N N 97 127.147 127.147 123.209 3.938 19939 7085 1 19 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.703 -0.264 19939 7086 1 19 . 1 1 97 97 ARG C C 97 178.214 178.214 175.674 2.540 19939 7087 1 19 . 1 1 97 97 ARG CA C 97 57.719 57.719 55.626 2.093 19939 7088 1 19 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.477 -0.152 19939 7089 1 19 . 1 1 97 97 ARG H H 97 9.117 9.117 8.258 0.859 19939 7090 1 19 . 1 1 98 98 LEU N N 98 125.934 125.934 122.370 3.564 19939 7091 1 19 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.298 0.044 19939 7092 1 19 . 1 1 98 98 LEU C C 98 176.647 176.647 175.243 1.404 19939 7093 1 19 . 1 1 98 98 LEU CA C 98 55.683 55.683 53.267 2.416 19939 7094 1 19 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.194 2.869 19939 7095 1 19 . 1 1 98 98 LEU H H 98 9.054 9.054 8.862 0.192 19939 7096 1 19 . 1 1 99 99 PHE N N 99 119.325 119.325 118.941 0.384 19939 7097 1 19 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.663 0.288 19939 7098 1 19 . 1 1 99 99 PHE C C 99 173.854 173.854 175.383 -1.529 19939 7099 1 19 . 1 1 99 99 PHE CA C 99 56.704 56.704 56.815 -0.111 19939 7100 1 19 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.779 1.976 19939 7101 1 19 . 1 1 99 99 PHE H H 99 8.245 8.245 7.667 0.578 19939 7102 1 19 . 1 1 100 100 GLY N N 100 104.714 104.714 109.723 -5.009 19939 7103 1 19 . 1 1 100 100 GLY C C 100 176.173 176.173 175.161 1.012 19939 7104 1 19 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.312 -0.188 19939 7105 1 19 . 1 1 100 100 GLY H H 100 8.111 8.111 8.013 0.098 19939 7106 1 19 . 1 1 101 101 LYS N N 101 122.597 122.597 121.539 1.058 19939 7107 1 19 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.139 -0.027 19939 7108 1 19 . 1 1 101 101 LYS C C 101 179.615 179.615 177.052 2.563 19939 7109 1 19 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.040 1.630 19939 7110 1 19 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.391 0.383 19939 7111 1 19 . 1 1 101 101 LYS H H 101 9.134 9.134 8.719 0.415 19939 7112 1 19 . 1 1 102 102 THR N N 102 108.650 108.650 108.383 0.267 19939 7113 1 19 . 1 1 102 102 THR HA H 102 4.339 4.339 4.377 -0.038 19939 7114 1 19 . 1 1 102 102 THR C C 102 172.966 172.966 174.099 -1.133 19939 7115 1 19 . 1 1 102 102 THR CA C 102 61.304 61.304 61.184 0.120 19939 7116 1 19 . 1 1 102 102 THR CB C 102 68.948 68.948 69.010 -0.062 19939 7117 1 19 . 1 1 102 102 THR H H 102 8.982 8.982 7.579 1.403 19939 7118 1 19 . 1 1 103 103 ALA N N 103 123.171 123.171 124.330 -1.159 19939 7119 1 19 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.912 -0.545 19939 7120 1 19 . 1 1 103 103 ALA C C 103 178.082 178.082 177.955 0.127 19939 7121 1 19 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.519 0.596 19939 7122 1 19 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.916 -0.975 19939 7123 1 19 . 1 1 103 103 ALA H H 103 6.932 6.932 7.523 -0.591 19939 7124 1 19 . 1 1 104 104 GLY N N 104 111.443 111.443 110.527 0.916 19939 7125 1 19 . 1 1 104 104 GLY C C 104 175.274 175.274 174.005 1.269 19939 7126 1 19 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.516 -0.032 19939 7127 1 19 . 1 1 104 104 GLY H H 104 8.545 8.545 8.228 0.317 19939 7128 1 19 . 1 1 105 105 ARG N N 105 119.647 119.647 121.379 -1.732 19939 7129 1 19 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.268 0.149 19939 7130 1 19 . 1 1 105 105 ARG C C 105 174.184 174.184 174.947 -0.763 19939 7131 1 19 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.981 0.763 19939 7132 1 19 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.517 -0.776 19939 7133 1 19 . 1 1 105 105 ARG H H 105 7.646 7.646 7.353 0.293 19939 7134 1 19 . 1 1 106 106 PHE N N 106 117.619 117.619 121.201 -3.582 19939 7135 1 19 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.653 0.770 19939 7136 1 19 . 1 1 106 106 PHE C C 106 175.443 175.443 175.376 0.067 19939 7137 1 19 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.779 -0.591 19939 7138 1 19 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.353 2.175 19939 7139 1 19 . 1 1 106 106 PHE H H 106 8.745 8.745 8.488 0.257 19939 7140 1 19 . 1 1 107 107 ASP N N 107 119.340 119.340 125.626 -6.286 19939 7141 1 19 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.239 -0.061 19939 7142 1 19 . 1 1 107 107 ASP C C 107 173.615 173.615 174.617 -1.002 19939 7143 1 19 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.902 -0.199 19939 7144 1 19 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.806 1.484 19939 7145 1 19 . 1 1 107 107 ASP H H 107 8.858 8.858 8.417 0.441 19939 7146 1 19 . 1 1 108 108 VAL N N 108 121.639 121.639 116.724 4.915 19939 7147 1 19 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.295 -0.382 19939 7148 1 19 . 1 1 108 108 VAL C C 108 174.762 174.762 174.015 0.747 19939 7149 1 19 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.123 0.709 19939 7150 1 19 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.670 -1.731 19939 7151 1 19 . 1 1 108 108 VAL H H 108 8.550 8.550 8.548 0.002 19939 7152 1 19 . 1 1 109 109 TYR N N 109 121.685 121.685 118.624 3.061 19939 7153 1 19 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.218 0.201 19939 7154 1 19 . 1 1 109 109 TYR C C 109 173.430 173.430 173.365 0.065 19939 7155 1 19 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.275 -0.815 19939 7156 1 19 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.363 1.678 19939 7157 1 19 . 1 1 109 109 TYR H H 109 8.894 8.894 8.550 0.344 19939 7158 1 19 . 1 1 110 110 PHE N N 110 117.355 117.355 116.813 0.542 19939 7159 1 19 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.499 0.346 19939 7160 1 19 . 1 1 110 110 PHE C C 110 175.425 175.425 174.369 1.056 19939 7161 1 19 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.217 1.480 19939 7162 1 19 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.550 2.568 19939 7163 1 19 . 1 1 110 110 PHE H H 110 8.898 8.898 7.584 1.314 19939 7164 1 19 . 1 1 111 111 ILE N N 111 121.807 121.807 123.013 -1.206 19939 7165 1 19 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.725 0.505 19939 7166 1 19 . 1 1 111 111 ILE C C 111 176.355 176.355 176.391 -0.036 19939 7167 1 19 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.251 -0.272 19939 7168 1 19 . 1 1 111 111 ILE CB C 111 39.901 39.901 39.617 0.284 19939 7169 1 19 . 1 1 111 111 ILE H H 111 9.660 9.660 8.476 1.184 19939 7170 1 19 . 1 1 112 112 SER N N 112 126.063 126.063 123.821 2.242 19939 7171 1 19 . 1 1 112 112 SER HA H 112 3.051 3.051 4.107 -1.056 19939 7172 1 19 . 1 1 112 112 SER CA C 112 56.697 56.697 58.982 -2.285 19939 7173 1 19 . 1 1 112 112 SER CB C 112 63.153 63.153 63.394 -0.241 19939 7174 1 19 . 1 1 112 112 SER H H 112 9.416 9.416 8.359 1.057 19939 7175 1 19 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.182 0.077 19939 7176 1 19 . 1 1 113 113 PRO C C 113 177.214 177.214 177.015 0.199 19939 7177 1 19 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.773 0.141 19939 7178 1 19 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.501 -0.073 19939 7179 1 19 . 1 1 114 114 GLN N N 114 112.298 112.298 116.337 -4.039 19939 7180 1 19 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.285 0.098 19939 7181 1 19 . 1 1 114 114 GLN C C 114 175.990 175.990 177.134 -1.144 19939 7182 1 19 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.573 0.241 19939 7183 1 19 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.544 0.105 19939 7184 1 19 . 1 1 114 114 GLN H H 114 7.175 7.175 8.071 -0.896 19939 7185 1 19 . 1 1 115 115 GLY N N 115 108.911 108.911 107.123 1.788 19939 7186 1 19 . 1 1 115 115 GLY C C 115 174.162 174.162 173.420 0.742 19939 7187 1 19 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.241 0.078 19939 7188 1 19 . 1 1 115 115 GLY H H 115 8.150 8.150 8.129 0.021 19939 7189 1 19 . 1 1 116 116 LEU N N 116 121.038 121.038 122.194 -1.156 19939 7190 1 19 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.076 0.106 19939 7191 1 19 . 1 1 116 116 LEU C C 116 175.187 175.187 175.617 -0.430 19939 7192 1 19 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.323 0.449 19939 7193 1 19 . 1 1 116 116 LEU CB C 116 42.543 42.543 41.408 1.135 19939 7194 1 19 . 1 1 116 116 LEU H H 116 7.166 7.166 7.605 -0.439 19939 7195 1 19 . 1 1 117 117 LYS N N 117 121.584 121.584 123.207 -1.623 19939 7196 1 19 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.051 1.218 19939 7197 1 19 . 1 1 117 117 LYS C C 117 175.984 175.984 175.074 0.910 19939 7198 1 19 . 1 1 117 117 LYS CA C 117 55.433 55.433 56.433 -1.000 19939 7199 1 19 . 1 1 117 117 LYS CB C 117 34.563 34.563 32.997 1.566 19939 7200 1 19 . 1 1 117 117 LYS H H 117 8.238 8.238 8.100 0.138 19939 7201 1 19 . 1 1 118 118 PHE N N 118 121.828 121.828 123.393 -1.565 19939 7202 1 19 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.615 0.297 19939 7203 1 19 . 1 1 118 118 PHE C C 118 176.449 176.449 174.005 2.444 19939 7204 1 19 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.312 0.695 19939 7205 1 19 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.348 0.620 19939 7206 1 19 . 1 1 118 118 PHE H H 118 9.639 9.639 7.827 1.812 19939 7207 1 19 . 1 1 119 119 ARG N N 119 119.546 119.546 120.251 -0.705 19939 7208 1 19 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.372 0.739 19939 7209 1 19 . 1 1 119 119 ARG C C 119 174.704 174.704 174.540 0.164 19939 7210 1 19 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.784 -0.613 19939 7211 1 19 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.583 0.237 19939 7212 1 19 . 1 1 119 119 ARG H H 119 9.589 9.589 8.466 1.123 19939 7213 1 19 . 1 1 120 120 SER N N 120 110.737 110.737 115.329 -4.592 19939 7214 1 19 . 1 1 120 120 SER HA H 120 4.341 4.341 4.862 -0.521 19939 7215 1 19 . 1 1 120 120 SER C C 120 172.793 172.793 174.652 -1.859 19939 7216 1 19 . 1 1 120 120 SER CA C 120 56.032 56.032 56.934 -0.902 19939 7217 1 19 . 1 1 120 120 SER CB C 120 66.492 66.492 66.056 0.436 19939 7218 1 19 . 1 1 120 120 SER H H 120 7.625 7.625 7.726 -0.101 19939 7219 1 19 . 1 1 121 121 LYS N N 121 125.451 125.451 125.661 -0.210 19939 7220 1 19 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.139 -0.505 19939 7221 1 19 . 1 1 121 121 LYS C C 121 178.826 178.826 178.112 0.714 19939 7222 1 19 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.861 -0.227 19939 7223 1 19 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.542 -1.388 19939 7224 1 19 . 1 1 121 121 LYS H H 121 8.816 8.816 9.006 -0.190 19939 7225 1 19 . 1 1 122 122 SER N N 122 115.374 115.374 115.352 0.022 19939 7226 1 19 . 1 1 122 122 SER HA H 122 4.136 4.136 4.295 -0.159 19939 7227 1 19 . 1 1 122 122 SER C C 122 177.427 177.427 176.628 0.799 19939 7228 1 19 . 1 1 122 122 SER CA C 122 61.492 61.492 61.241 0.251 19939 7229 1 19 . 1 1 122 122 SER CB C 122 62.342 62.342 62.367 -0.025 19939 7230 1 19 . 1 1 122 122 SER H H 122 8.834 8.834 8.493 0.341 19939 7231 1 19 . 1 1 123 123 SER N N 123 118.263 118.263 117.196 1.067 19939 7232 1 19 . 1 1 123 123 SER HA H 123 4.418 4.418 4.335 0.083 19939 7233 1 19 . 1 1 123 123 SER C C 123 178.017 178.017 176.662 1.355 19939 7234 1 19 . 1 1 123 123 SER CA C 123 61.540 61.540 61.161 0.379 19939 7235 1 19 . 1 1 123 123 SER CB C 123 62.967 62.967 62.883 0.084 19939 7236 1 19 . 1 1 123 123 SER H H 123 8.043 8.043 8.107 -0.064 19939 7237 1 19 . 1 1 124 124 LEU N N 124 126.780 126.780 122.898 3.882 19939 7238 1 19 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.727 -0.079 19939 7239 1 19 . 1 1 124 124 LEU C C 124 177.987 177.987 177.544 0.443 19939 7240 1 19 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.757 0.506 19939 7241 1 19 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.548 0.753 19939 7242 1 19 . 1 1 124 124 LEU H H 124 7.686 7.686 7.792 -0.106 19939 7243 1 19 . 1 1 125 125 ALA N N 125 121.665 121.665 119.749 1.916 19939 7244 1 19 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.958 -0.268 19939 7245 1 19 . 1 1 125 125 ALA C C 125 180.032 180.032 179.549 0.483 19939 7246 1 19 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.155 0.532 19939 7247 1 19 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.267 -0.387 19939 7248 1 19 . 1 1 125 125 ALA H H 125 8.912 8.912 8.347 0.565 19939 7249 1 19 . 1 1 126 126 ASN N N 126 115.720 115.720 117.866 -2.146 19939 7250 1 19 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.610 -0.117 19939 7251 1 19 . 1 1 126 126 ASN C C 126 177.174 177.174 176.906 0.268 19939 7252 1 19 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.657 0.714 19939 7253 1 19 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.756 -0.233 19939 7254 1 19 . 1 1 126 126 ASN H H 126 7.963 7.963 7.864 0.099 19939 7255 1 19 . 1 1 127 127 TYR N N 127 121.605 121.605 122.202 -0.597 19939 7256 1 19 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.173 0.116 19939 7257 1 19 . 1 1 127 127 TYR C C 127 177.895 177.895 177.690 0.205 19939 7258 1 19 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.816 -0.240 19939 7259 1 19 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.157 0.894 19939 7260 1 19 . 1 1 127 127 TYR H H 127 7.746 7.746 8.533 -0.787 19939 7261 1 19 . 1 1 128 128 LEU N N 128 119.365 119.365 117.920 1.445 19939 7262 1 19 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.511 0.287 19939 7263 1 19 . 1 1 128 128 LEU C C 128 179.418 179.418 178.980 0.438 19939 7264 1 19 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.917 -0.181 19939 7265 1 19 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.547 -0.654 19939 7266 1 19 . 1 1 128 128 LEU H H 128 8.600 8.600 8.278 0.322 19939 7267 1 19 . 1 1 129 129 HIS N N 129 115.982 115.982 117.630 -1.648 19939 7268 1 19 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.195 0.319 19939 7269 1 19 . 1 1 129 129 HIS C C 129 178.014 178.014 177.415 0.599 19939 7270 1 19 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.334 -1.256 19939 7271 1 19 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.788 -0.442 19939 7272 1 19 . 1 1 129 129 HIS H H 129 8.041 8.041 7.646 0.395 19939 7273 1 19 . 1 1 130 130 LYS N N 130 119.804 119.804 118.496 1.308 19939 7274 1 19 . 1 1 130 130 LYS HA H 130 4.082 4.082 4.007 0.075 19939 7275 1 19 . 1 1 130 130 LYS C C 130 177.320 177.320 178.419 -1.099 19939 7276 1 19 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.820 -0.459 19939 7277 1 19 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.452 0.118 19939 7278 1 19 . 1 1 130 130 LYS H H 130 8.136 8.136 8.073 0.063 19939 7279 1 19 . 1 1 131 131 ASN N N 131 115.918 115.918 115.280 0.638 19939 7280 1 19 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.463 0.193 19939 7281 1 19 . 1 1 131 131 ASN C C 131 175.335 175.335 176.374 -1.039 19939 7282 1 19 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.988 -0.398 19939 7283 1 19 . 1 1 131 131 ASN CB C 131 39.280 39.280 39.129 0.151 19939 7284 1 19 . 1 1 131 131 ASN H H 131 7.663 7.663 7.898 -0.235 19939 7285 1 19 . 1 1 132 132 GLY N N 132 108.472 108.472 107.234 1.238 19939 7286 1 19 . 1 1 132 132 GLY C C 132 174.647 174.647 174.340 0.307 19939 7287 1 19 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.054 1.275 19939 7288 1 19 . 1 1 132 132 GLY H H 132 7.854 7.854 7.555 0.299 19939 7289 1 19 . 1 1 133 133 GLU N N 133 120.028 120.028 122.375 -2.347 19939 7290 1 19 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.513 -0.153 19939 7291 1 19 . 1 1 133 133 GLU C C 133 177.324 177.324 176.389 0.935 19939 7292 1 19 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.627 1.085 19939 7293 1 19 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.219 0.670 19939 7294 1 19 . 1 1 133 133 GLU H H 133 8.142 8.142 7.646 0.496 19939 7295 1 19 . 1 1 134 134 THR N N 134 114.986 114.986 115.027 -0.041 19939 7296 1 19 . 1 1 134 134 THR HA H 134 4.362 4.362 4.469 -0.107 19939 7297 1 19 . 1 1 134 134 THR C C 134 174.926 174.926 175.133 -0.207 19939 7298 1 19 . 1 1 134 134 THR CA C 134 62.028 62.028 62.174 -0.146 19939 7299 1 19 . 1 1 134 134 THR CB C 134 69.927 69.927 69.465 0.462 19939 7300 1 19 . 1 1 134 134 THR H H 134 8.363 8.363 8.044 0.319 19939 7301 1 19 . 1 1 135 135 SER N N 135 118.353 118.353 117.140 1.213 19939 7302 1 19 . 1 1 135 135 SER HA H 135 4.530 4.530 4.322 0.208 19939 7303 1 19 . 1 1 135 135 SER C C 135 174.284 174.284 174.549 -0.265 19939 7304 1 19 . 1 1 135 135 SER CA C 135 59.506 59.506 60.246 -0.740 19939 7305 1 19 . 1 1 135 135 SER CB C 135 63.812 63.812 63.361 0.451 19939 7306 1 19 . 1 1 135 135 SER H H 135 8.580 8.580 8.250 0.330 19939 7307 1 19 . 1 1 136 136 LEU N N 136 122.995 122.995 121.272 1.723 19939 7308 1 19 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.415 0.041 19939 7309 1 19 . 1 1 136 136 LEU C C 136 175.105 175.105 176.149 -1.044 19939 7310 1 19 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.330 -0.809 19939 7311 1 19 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.113 2.363 19939 7312 1 19 . 1 1 136 136 LEU H H 136 8.048 8.048 8.291 -0.243 19939 7313 1 19 . 1 1 137 137 LYS N N 137 121.086 121.086 120.691 0.395 19939 7314 1 19 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.733 -0.667 19939 7315 1 19 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.039 1.162 19939 7316 1 19 . 1 1 137 137 LYS H H 137 8.786 8.786 7.963 0.823 19939 7317 1 19 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.393 -0.437 19939 7318 1 19 . 1 1 138 138 PRO C C 138 177.652 177.652 178.164 -0.512 19939 7319 1 19 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.454 0.583 19939 7320 1 19 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.760 -0.291 19939 7321 1 19 . 1 1 139 139 GLU N N 139 113.380 113.380 116.105 -2.725 19939 7322 1 19 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.868 0.277 19939 7323 1 19 . 1 1 139 139 GLU C C 139 176.688 176.688 177.102 -0.414 19939 7324 1 19 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.740 1.031 19939 7325 1 19 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.466 0.068 19939 7326 1 19 . 1 1 139 139 GLU H H 139 8.889 8.889 8.586 0.303 19939 7327 1 19 . 1 1 140 140 ASP N N 140 119.519 119.519 119.818 -0.299 19939 7328 1 19 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.316 -0.012 19939 7329 1 19 . 1 1 140 140 ASP C C 140 174.537 174.537 175.119 -0.582 19939 7330 1 19 . 1 1 140 140 ASP CA C 140 55.908 55.908 56.690 -0.782 19939 7331 1 19 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.250 -0.377 19939 7332 1 19 . 1 1 140 140 ASP H H 140 8.027 8.027 7.946 0.081 19939 7333 1 19 . 1 1 141 141 PHE N N 141 118.825 118.825 115.506 3.319 19939 7334 1 19 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.482 -0.615 19939 7335 1 19 . 1 1 141 141 PHE C C 141 173.522 173.522 173.662 -0.140 19939 7336 1 19 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.265 1.003 19939 7337 1 19 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.065 0.414 19939 7338 1 19 . 1 1 141 141 PHE H H 141 7.539 7.539 7.130 0.409 19939 7339 1 19 . 1 1 142 142 ASP N N 142 122.733 122.733 124.450 -1.717 19939 7340 1 19 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.574 0.308 19939 7341 1 19 . 1 1 142 142 ASP C C 142 176.424 176.424 175.578 0.846 19939 7342 1 19 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.805 0.818 19939 7343 1 19 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.055 -1.372 19939 7344 1 19 . 1 1 142 142 ASP H H 142 8.546 8.546 8.398 0.148 19939 7345 1 19 . 1 1 143 143 PHE N N 143 127.545 127.545 121.914 5.631 19939 7346 1 19 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.480 0.028 19939 7347 1 19 . 1 1 143 143 PHE C C 143 174.878 174.878 175.561 -0.683 19939 7348 1 19 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.626 0.376 19939 7349 1 19 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.731 -0.227 19939 7350 1 19 . 1 1 143 143 PHE H H 143 9.406 9.406 8.304 1.102 19939 7351 1 19 . 1 1 144 144 THR N N 144 114.719 114.719 112.999 1.720 19939 7352 1 19 . 1 1 144 144 THR HA H 144 4.581 4.581 4.239 0.342 19939 7353 1 19 . 1 1 144 144 THR CA C 144 62.519 62.519 62.403 0.116 19939 7354 1 19 . 1 1 144 144 THR CB C 144 70.241 70.241 68.912 1.329 19939 7355 1 19 . 1 1 144 144 THR H H 144 8.360 8.360 8.359 0.001 19939 7356 1 19 . 1 1 145 145 VAL HA H 145 3.992 3.992 3.875 0.117 19939 7357 1 19 . 1 1 145 145 VAL C C 145 176.097 176.097 176.415 -0.318 19939 7358 1 19 . 1 1 145 145 VAL CA C 145 62.742 62.742 62.831 -0.089 19939 7359 1 19 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.087 1.428 19939 7360 1 19 . 1 1 145 145 VAL H H 145 8.856 8.856 8.329 0.527 19939 7361 1 19 . 1 1 146 146 LEU N N 146 124.454 124.454 126.273 -1.819 19939 7362 1 19 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.012 0.354 19939 7363 1 19 . 1 1 146 146 LEU C C 146 176.924 176.924 176.173 0.751 19939 7364 1 19 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.230 -1.267 19939 7365 1 19 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.147 1.291 19939 7366 1 19 . 1 1 146 146 LEU H H 146 8.082 8.082 8.245 -0.163 19939 7367 1 19 . 1 1 147 147 SER N N 147 117.581 117.581 114.429 3.152 19939 7368 1 19 . 1 1 147 147 SER HA H 147 4.589 4.589 4.079 0.510 19939 7369 1 19 . 1 1 147 147 SER C C 147 173.419 173.419 174.221 -0.802 19939 7370 1 19 . 1 1 147 147 SER CA C 147 58.281 58.281 58.850 -0.569 19939 7371 1 19 . 1 1 147 147 SER CB C 147 63.886 63.886 61.732 2.154 19939 7372 1 19 . 1 1 147 147 SER H H 147 8.216 8.216 8.401 -0.185 19939 7373 1 20 . 1 1 79 79 SER C C 79 174.960 174.960 174.080 0.880 19939 7374 1 20 . 1 1 79 79 SER CA C 79 58.539 58.539 57.497 1.042 19939 7375 1 20 . 1 1 79 79 SER CB C 79 64.005 64.005 64.045 -0.040 19939 7376 1 20 . 1 1 80 80 THR N N 80 115.664 115.664 113.370 2.294 19939 7377 1 20 . 1 1 80 80 THR HA H 80 4.389 4.389 4.176 0.213 19939 7378 1 20 . 1 1 80 80 THR C C 80 174.574 174.574 173.645 0.929 19939 7379 1 20 . 1 1 80 80 THR CA C 80 62.123 62.123 63.802 -1.679 19939 7380 1 20 . 1 1 80 80 THR CB C 80 69.660 69.660 68.392 1.268 19939 7381 1 20 . 1 1 80 80 THR H H 80 8.340 8.340 8.255 0.085 19939 7382 1 20 . 1 1 81 81 GLU N N 81 123.120 123.120 121.521 1.599 19939 7383 1 20 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.513 -0.198 19939 7384 1 20 . 1 1 81 81 GLU C C 81 176.123 176.123 176.383 -0.260 19939 7385 1 20 . 1 1 81 81 GLU CA C 81 56.672 56.672 55.819 0.853 19939 7386 1 20 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.559 -0.299 19939 7387 1 20 . 1 1 81 81 GLU H H 81 8.434 8.434 8.224 0.210 19939 7388 1 20 . 1 1 82 82 CYS N N 82 120.924 120.924 121.166 -0.242 19939 7389 1 20 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.749 -0.264 19939 7390 1 20 . 1 1 82 82 CYS C C 82 174.341 174.341 174.580 -0.239 19939 7391 1 20 . 1 1 82 82 CYS CA C 82 58.456 58.456 57.541 0.915 19939 7392 1 20 . 1 1 82 82 CYS CB C 82 27.989 27.989 29.214 -1.225 19939 7393 1 20 . 1 1 82 82 CYS H H 82 8.392 8.392 8.869 -0.477 19939 7394 1 20 . 1 1 83 83 ARG N N 83 124.156 124.156 120.662 3.494 19939 7395 1 20 . 1 1 83 83 ARG HA H 83 4.367 4.367 3.905 0.462 19939 7396 1 20 . 1 1 83 83 ARG C C 83 176.140 176.140 175.376 0.764 19939 7397 1 20 . 1 1 83 83 ARG CA C 83 56.268 56.268 57.357 -1.089 19939 7398 1 20 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.385 0.477 19939 7399 1 20 . 1 1 83 83 ARG H H 83 8.478 8.478 8.172 0.306 19939 7400 1 20 . 1 1 84 84 LYS N N 84 122.766 122.766 121.826 0.940 19939 7401 1 20 . 1 1 84 84 LYS C C 84 176.555 176.555 175.842 0.713 19939 7402 1 20 . 1 1 84 84 LYS CA C 84 55.975 55.975 57.875 -1.900 19939 7403 1 20 . 1 1 84 84 LYS CB C 84 33.334 33.334 31.640 1.694 19939 7404 1 20 . 1 1 84 84 LYS H H 84 8.413 8.413 8.366 0.047 19939 7405 1 20 . 1 1 85 85 SER N N 85 118.305 118.305 118.844 -0.539 19939 7406 1 20 . 1 1 85 85 SER HA H 85 4.408 4.408 4.540 -0.132 19939 7407 1 20 . 1 1 85 85 SER C C 85 173.669 173.669 173.073 0.596 19939 7408 1 20 . 1 1 85 85 SER CA C 85 58.288 58.288 58.540 -0.252 19939 7409 1 20 . 1 1 85 85 SER CB C 85 63.932 63.932 63.901 0.031 19939 7410 1 20 . 1 1 85 85 SER H H 85 8.440 8.440 8.140 0.300 19939 7411 1 20 . 1 1 86 86 VAL N N 86 123.628 123.628 125.991 -2.363 19939 7412 1 20 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.438 -0.153 19939 7413 1 20 . 1 1 86 86 VAL CA C 86 60.169 60.169 59.985 0.184 19939 7414 1 20 . 1 1 86 86 VAL CB C 86 33.380 33.380 31.012 2.368 19939 7415 1 20 . 1 1 86 86 VAL H H 86 8.279 8.279 8.409 -0.130 19939 7416 1 20 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.498 -0.297 19939 7417 1 20 . 1 1 87 87 PRO C C 87 175.673 175.673 176.946 -1.273 19939 7418 1 20 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.685 0.937 19939 7419 1 20 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.409 -0.369 19939 7420 1 20 . 1 1 88 88 CYS N N 88 120.983 120.983 121.881 -0.898 19939 7421 1 20 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.350 -0.106 19939 7422 1 20 . 1 1 88 88 CYS C C 88 176.345 176.345 176.722 -0.377 19939 7423 1 20 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.237 0.925 19939 7424 1 20 . 1 1 88 88 CYS CB C 88 26.920 26.920 27.776 -0.856 19939 7425 1 20 . 1 1 88 88 CYS H H 88 8.393 8.393 8.609 -0.216 19939 7426 1 20 . 1 1 89 89 GLY N N 89 115.997 115.997 111.702 4.295 19939 7427 1 20 . 1 1 89 89 GLY C C 89 174.168 174.168 172.823 1.345 19939 7428 1 20 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.270 0.180 19939 7429 1 20 . 1 1 89 89 GLY H H 89 9.011 9.011 8.664 0.347 19939 7430 1 20 . 1 1 90 90 TRP N N 90 121.603 121.603 119.534 2.069 19939 7431 1 20 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.076 -0.104 19939 7432 1 20 . 1 1 90 90 TRP C C 90 175.327 175.327 175.754 -0.427 19939 7433 1 20 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.358 1.111 19939 7434 1 20 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.134 -1.629 19939 7435 1 20 . 1 1 90 90 TRP H H 90 8.406 8.406 7.480 0.926 19939 7436 1 20 . 1 1 91 91 GLU N N 91 119.691 119.691 121.747 -2.056 19939 7437 1 20 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.813 0.038 19939 7438 1 20 . 1 1 91 91 GLU C C 91 174.309 174.309 175.189 -0.880 19939 7439 1 20 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.226 0.839 19939 7440 1 20 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.746 -0.333 19939 7441 1 20 . 1 1 91 91 GLU H H 91 8.963 8.963 8.797 0.166 19939 7442 1 20 . 1 1 92 92 ARG N N 92 126.749 126.749 124.293 2.456 19939 7443 1 20 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.351 0.084 19939 7444 1 20 . 1 1 92 92 ARG C C 92 174.635 174.635 175.028 -0.393 19939 7445 1 20 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.150 -0.319 19939 7446 1 20 . 1 1 92 92 ARG CB C 92 33.153 33.153 31.663 1.490 19939 7447 1 20 . 1 1 92 92 ARG H H 92 8.944 8.944 8.586 0.358 19939 7448 1 20 . 1 1 93 93 VAL N N 93 130.450 130.450 127.131 3.319 19939 7449 1 20 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.288 -0.159 19939 7450 1 20 . 1 1 93 93 VAL C C 93 173.391 173.391 173.894 -0.503 19939 7451 1 20 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.836 0.718 19939 7452 1 20 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.524 -1.198 19939 7453 1 20 . 1 1 93 93 VAL H H 93 9.096 9.096 8.243 0.853 19939 7454 1 20 . 1 1 94 94 VAL N N 94 125.534 125.534 120.902 4.632 19939 7455 1 20 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.564 0.091 19939 7456 1 20 . 1 1 94 94 VAL C C 94 175.830 175.830 174.366 1.464 19939 7457 1 20 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.778 1.517 19939 7458 1 20 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.218 -0.154 19939 7459 1 20 . 1 1 94 94 VAL H H 94 8.341 8.341 8.197 0.144 19939 7460 1 20 . 1 1 95 95 LYS N N 95 128.357 128.357 126.918 1.439 19939 7461 1 20 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.782 0.102 19939 7462 1 20 . 1 1 95 95 LYS C C 95 175.169 175.169 175.152 0.017 19939 7463 1 20 . 1 1 95 95 LYS CA C 95 54.736 54.736 55.034 -0.298 19939 7464 1 20 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.969 0.221 19939 7465 1 20 . 1 1 95 95 LYS H H 95 9.158 9.158 9.065 0.094 19939 7466 1 20 . 1 1 96 96 GLN N N 96 128.341 128.341 123.632 4.709 19939 7467 1 20 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.951 -0.481 19939 7468 1 20 . 1 1 96 96 GLN C C 96 175.665 175.665 175.754 -0.089 19939 7469 1 20 . 1 1 96 96 GLN CA C 96 54.807 54.807 54.695 0.112 19939 7470 1 20 . 1 1 96 96 GLN CB C 96 30.119 30.119 31.843 -1.724 19939 7471 1 20 . 1 1 96 96 GLN H H 96 8.943 8.943 8.631 0.312 19939 7472 1 20 . 1 1 97 97 ARG N N 97 127.147 127.147 123.368 3.779 19939 7473 1 20 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.400 0.039 19939 7474 1 20 . 1 1 97 97 ARG C C 97 178.214 178.214 175.498 2.716 19939 7475 1 20 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.045 1.674 19939 7476 1 20 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.677 -0.352 19939 7477 1 20 . 1 1 97 97 ARG H H 97 9.117 9.117 8.106 1.011 19939 7478 1 20 . 1 1 98 98 LEU N N 98 125.934 125.934 123.370 2.564 19939 7479 1 20 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.241 0.101 19939 7480 1 20 . 1 1 98 98 LEU C C 98 176.647 176.647 175.068 1.579 19939 7481 1 20 . 1 1 98 98 LEU CA C 98 55.683 55.683 53.636 2.047 19939 7482 1 20 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.765 2.298 19939 7483 1 20 . 1 1 98 98 LEU H H 98 9.054 9.054 8.755 0.299 19939 7484 1 20 . 1 1 99 99 PHE N N 99 119.325 119.325 118.747 0.578 19939 7485 1 20 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.622 0.329 19939 7486 1 20 . 1 1 99 99 PHE C C 99 173.854 173.854 175.179 -1.325 19939 7487 1 20 . 1 1 99 99 PHE CA C 99 56.704 56.704 56.993 -0.289 19939 7488 1 20 . 1 1 99 99 PHE CB C 99 42.755 42.755 41.237 1.518 19939 7489 1 20 . 1 1 99 99 PHE H H 99 8.245 8.245 7.551 0.694 19939 7490 1 20 . 1 1 100 100 GLY N N 100 104.714 104.714 108.679 -3.965 19939 7491 1 20 . 1 1 100 100 GLY C C 100 176.173 176.173 175.035 1.138 19939 7492 1 20 . 1 1 100 100 GLY CA C 100 44.124 44.124 44.440 -0.316 19939 7493 1 20 . 1 1 100 100 GLY H H 100 8.111 8.111 8.057 0.054 19939 7494 1 20 . 1 1 101 101 LYS N N 101 122.597 122.597 119.586 3.011 19939 7495 1 20 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.081 0.031 19939 7496 1 20 . 1 1 101 101 LYS C C 101 179.615 179.615 176.815 2.800 19939 7497 1 20 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.030 1.640 19939 7498 1 20 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.213 0.561 19939 7499 1 20 . 1 1 101 101 LYS H H 101 9.134 9.134 8.701 0.433 19939 7500 1 20 . 1 1 102 102 THR N N 102 108.650 108.650 108.536 0.114 19939 7501 1 20 . 1 1 102 102 THR HA H 102 4.339 4.339 4.337 0.002 19939 7502 1 20 . 1 1 102 102 THR C C 102 172.966 172.966 174.176 -1.210 19939 7503 1 20 . 1 1 102 102 THR CA C 102 61.304 61.304 61.342 -0.038 19939 7504 1 20 . 1 1 102 102 THR CB C 102 68.948 68.948 68.868 0.080 19939 7505 1 20 . 1 1 102 102 THR H H 102 8.982 8.982 7.552 1.430 19939 7506 1 20 . 1 1 103 103 ALA N N 103 123.171 123.171 123.412 -0.241 19939 7507 1 20 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.905 -0.538 19939 7508 1 20 . 1 1 103 103 ALA C C 103 178.082 178.082 177.673 0.409 19939 7509 1 20 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.721 0.394 19939 7510 1 20 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.779 -0.838 19939 7511 1 20 . 1 1 103 103 ALA H H 103 6.932 6.932 7.630 -0.698 19939 7512 1 20 . 1 1 104 104 GLY N N 104 111.443 111.443 110.328 1.115 19939 7513 1 20 . 1 1 104 104 GLY C C 104 175.274 175.274 174.194 1.080 19939 7514 1 20 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.606 -0.122 19939 7515 1 20 . 1 1 104 104 GLY H H 104 8.545 8.545 8.178 0.367 19939 7516 1 20 . 1 1 105 105 ARG N N 105 119.647 119.647 120.869 -1.222 19939 7517 1 20 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.346 0.071 19939 7518 1 20 . 1 1 105 105 ARG C C 105 174.184 174.184 174.707 -0.523 19939 7519 1 20 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.148 1.596 19939 7520 1 20 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.204 -0.463 19939 7521 1 20 . 1 1 105 105 ARG H H 105 7.646 7.646 7.596 0.050 19939 7522 1 20 . 1 1 106 106 PHE N N 106 117.619 117.619 118.576 -0.957 19939 7523 1 20 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.871 0.552 19939 7524 1 20 . 1 1 106 106 PHE C C 106 175.443 175.443 175.583 -0.140 19939 7525 1 20 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.172 0.016 19939 7526 1 20 . 1 1 106 106 PHE CB C 106 42.528 42.528 41.533 0.995 19939 7527 1 20 . 1 1 106 106 PHE H H 106 8.745 8.745 8.387 0.357 19939 7528 1 20 . 1 1 107 107 ASP N N 107 119.340 119.340 125.799 -6.459 19939 7529 1 20 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.183 -0.005 19939 7530 1 20 . 1 1 107 107 ASP C C 107 173.615 173.615 174.654 -1.039 19939 7531 1 20 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.941 -0.238 19939 7532 1 20 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.319 1.970 19939 7533 1 20 . 1 1 107 107 ASP H H 107 8.858 8.858 9.133 -0.275 19939 7534 1 20 . 1 1 108 108 VAL N N 108 121.639 121.639 119.590 2.049 19939 7535 1 20 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.026 -0.113 19939 7536 1 20 . 1 1 108 108 VAL C C 108 174.762 174.762 174.329 0.433 19939 7537 1 20 . 1 1 108 108 VAL CA C 108 60.832 60.832 60.191 0.641 19939 7538 1 20 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.331 -1.392 19939 7539 1 20 . 1 1 108 108 VAL H H 108 8.550 8.550 8.486 0.064 19939 7540 1 20 . 1 1 109 109 TYR N N 109 121.685 121.685 117.959 3.726 19939 7541 1 20 . 1 1 109 109 TYR HA H 109 5.419 5.419 4.996 0.423 19939 7542 1 20 . 1 1 109 109 TYR C C 109 173.430 173.430 173.242 0.188 19939 7543 1 20 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.082 -0.622 19939 7544 1 20 . 1 1 109 109 TYR CB C 109 42.041 42.041 39.907 2.134 19939 7545 1 20 . 1 1 109 109 TYR H H 109 8.894 8.894 8.014 0.880 19939 7546 1 20 . 1 1 110 110 PHE N N 110 117.355 117.355 118.644 -1.289 19939 7547 1 20 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.478 0.367 19939 7548 1 20 . 1 1 110 110 PHE C C 110 175.425 175.425 175.554 -0.129 19939 7549 1 20 . 1 1 110 110 PHE CA C 110 56.697 56.697 56.441 0.256 19939 7550 1 20 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.982 2.136 19939 7551 1 20 . 1 1 110 110 PHE H H 110 8.898 8.898 8.271 0.627 19939 7552 1 20 . 1 1 111 111 ILE N N 111 121.807 121.807 122.956 -1.149 19939 7553 1 20 . 1 1 111 111 ILE HA H 111 5.230 5.230 5.140 0.090 19939 7554 1 20 . 1 1 111 111 ILE C C 111 176.355 176.355 175.774 0.581 19939 7555 1 20 . 1 1 111 111 ILE CA C 111 59.979 59.979 59.871 0.108 19939 7556 1 20 . 1 1 111 111 ILE CB C 111 39.901 39.901 41.297 -1.396 19939 7557 1 20 . 1 1 111 111 ILE H H 111 9.660 9.660 8.611 1.049 19939 7558 1 20 . 1 1 112 112 SER N N 112 126.063 126.063 122.901 3.162 19939 7559 1 20 . 1 1 112 112 SER HA H 112 3.051 3.051 4.599 -1.548 19939 7560 1 20 . 1 1 112 112 SER CA C 112 56.697 56.697 56.949 -0.252 19939 7561 1 20 . 1 1 112 112 SER CB C 112 63.153 63.153 63.203 -0.050 19939 7562 1 20 . 1 1 112 112 SER H H 112 9.416 9.416 8.090 1.326 19939 7563 1 20 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.283 -0.024 19939 7564 1 20 . 1 1 113 113 PRO C C 113 177.214 177.214 177.561 -0.347 19939 7565 1 20 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.762 0.152 19939 7566 1 20 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.627 -0.199 19939 7567 1 20 . 1 1 114 114 GLN N N 114 112.298 112.298 115.686 -3.388 19939 7568 1 20 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.209 0.174 19939 7569 1 20 . 1 1 114 114 GLN C C 114 175.990 175.990 177.039 -1.049 19939 7570 1 20 . 1 1 114 114 GLN CA C 114 55.814 55.814 56.386 -0.572 19939 7571 1 20 . 1 1 114 114 GLN CB C 114 28.649 28.649 29.156 -0.507 19939 7572 1 20 . 1 1 114 114 GLN H H 114 7.175 7.175 8.113 -0.938 19939 7573 1 20 . 1 1 115 115 GLY N N 115 108.911 108.911 106.395 2.516 19939 7574 1 20 . 1 1 115 115 GLY C C 115 174.162 174.162 173.977 0.185 19939 7575 1 20 . 1 1 115 115 GLY CA C 115 45.319 45.319 44.868 0.451 19939 7576 1 20 . 1 1 115 115 GLY H H 115 8.150 8.150 7.868 0.282 19939 7577 1 20 . 1 1 116 116 LEU N N 116 121.038 121.038 120.857 0.181 19939 7578 1 20 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.079 0.103 19939 7579 1 20 . 1 1 116 116 LEU C C 116 175.187 175.187 175.676 -0.489 19939 7580 1 20 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.349 0.423 19939 7581 1 20 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.463 0.080 19939 7582 1 20 . 1 1 116 116 LEU H H 116 7.166 7.166 7.569 -0.403 19939 7583 1 20 . 1 1 117 117 LYS N N 117 121.584 121.584 121.116 0.468 19939 7584 1 20 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.269 1.000 19939 7585 1 20 . 1 1 117 117 LYS C C 117 175.984 175.984 175.108 0.876 19939 7586 1 20 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.176 0.257 19939 7587 1 20 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.164 0.399 19939 7588 1 20 . 1 1 117 117 LYS H H 117 8.238 8.238 7.807 0.431 19939 7589 1 20 . 1 1 118 118 PHE N N 118 121.828 121.828 122.170 -0.342 19939 7590 1 20 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.773 0.139 19939 7591 1 20 . 1 1 118 118 PHE C C 118 176.449 176.449 174.577 1.872 19939 7592 1 20 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.249 0.757 19939 7593 1 20 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.135 0.834 19939 7594 1 20 . 1 1 118 118 PHE H H 118 9.639 9.639 8.109 1.530 19939 7595 1 20 . 1 1 119 119 ARG N N 119 119.546 119.546 119.898 -0.352 19939 7596 1 20 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.869 0.242 19939 7597 1 20 . 1 1 119 119 ARG C C 119 174.704 174.704 175.696 -0.992 19939 7598 1 20 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.735 -0.564 19939 7599 1 20 . 1 1 119 119 ARG CB C 119 31.820 31.820 32.107 -0.287 19939 7600 1 20 . 1 1 119 119 ARG H H 119 9.589 9.589 8.779 0.810 19939 7601 1 20 . 1 1 120 120 SER N N 120 110.737 110.737 116.639 -5.902 19939 7602 1 20 . 1 1 120 120 SER HA H 120 4.341 4.341 5.002 -0.661 19939 7603 1 20 . 1 1 120 120 SER C C 120 172.793 172.793 174.280 -1.487 19939 7604 1 20 . 1 1 120 120 SER CA C 120 56.032 56.032 57.631 -1.599 19939 7605 1 20 . 1 1 120 120 SER CB C 120 66.492 66.492 66.553 -0.061 19939 7606 1 20 . 1 1 120 120 SER H H 120 7.625 7.625 7.884 -0.259 19939 7607 1 20 . 1 1 121 121 LYS N N 121 125.451 125.451 125.200 0.251 19939 7608 1 20 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.250 -0.616 19939 7609 1 20 . 1 1 121 121 LYS C C 121 178.826 178.826 178.564 0.262 19939 7610 1 20 . 1 1 121 121 LYS CA C 121 59.635 59.635 60.118 -0.483 19939 7611 1 20 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.521 -1.367 19939 7612 1 20 . 1 1 121 121 LYS H H 121 8.816 8.816 9.075 -0.259 19939 7613 1 20 . 1 1 122 122 SER N N 122 115.374 115.374 114.938 0.436 19939 7614 1 20 . 1 1 122 122 SER HA H 122 4.136 4.136 4.308 -0.172 19939 7615 1 20 . 1 1 122 122 SER C C 122 177.427 177.427 176.268 1.159 19939 7616 1 20 . 1 1 122 122 SER CA C 122 61.492 61.492 61.494 -0.002 19939 7617 1 20 . 1 1 122 122 SER CB C 122 62.342 62.342 62.269 0.073 19939 7618 1 20 . 1 1 122 122 SER H H 122 8.834 8.834 8.446 0.388 19939 7619 1 20 . 1 1 123 123 SER N N 123 118.263 118.263 117.448 0.815 19939 7620 1 20 . 1 1 123 123 SER HA H 123 4.418 4.418 4.307 0.111 19939 7621 1 20 . 1 1 123 123 SER C C 123 178.017 178.017 176.669 1.348 19939 7622 1 20 . 1 1 123 123 SER CA C 123 61.540 61.540 61.362 0.178 19939 7623 1 20 . 1 1 123 123 SER CB C 123 62.967 62.967 62.783 0.184 19939 7624 1 20 . 1 1 123 123 SER H H 123 8.043 8.043 8.325 -0.282 19939 7625 1 20 . 1 1 124 124 LEU N N 124 126.780 126.780 122.317 4.463 19939 7626 1 20 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.585 0.063 19939 7627 1 20 . 1 1 124 124 LEU C C 124 177.987 177.987 177.883 0.104 19939 7628 1 20 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.381 0.882 19939 7629 1 20 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.507 0.794 19939 7630 1 20 . 1 1 124 124 LEU H H 124 7.686 7.686 7.657 0.029 19939 7631 1 20 . 1 1 125 125 ALA N N 125 121.665 121.665 121.188 0.477 19939 7632 1 20 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.891 -0.201 19939 7633 1 20 . 1 1 125 125 ALA C C 125 180.032 180.032 179.411 0.621 19939 7634 1 20 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.418 0.269 19939 7635 1 20 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.085 -0.205 19939 7636 1 20 . 1 1 125 125 ALA H H 125 8.912 8.912 8.324 0.588 19939 7637 1 20 . 1 1 126 126 ASN N N 126 115.720 115.720 117.989 -2.269 19939 7638 1 20 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.593 -0.100 19939 7639 1 20 . 1 1 126 126 ASN C C 126 177.174 177.174 177.017 0.157 19939 7640 1 20 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.935 0.436 19939 7641 1 20 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.506 0.017 19939 7642 1 20 . 1 1 126 126 ASN H H 126 7.963 7.963 8.205 -0.242 19939 7643 1 20 . 1 1 127 127 TYR N N 127 121.605 121.605 122.852 -1.247 19939 7644 1 20 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.205 0.084 19939 7645 1 20 . 1 1 127 127 TYR C C 127 177.895 177.895 177.900 -0.005 19939 7646 1 20 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.384 0.192 19939 7647 1 20 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.161 0.890 19939 7648 1 20 . 1 1 127 127 TYR H H 127 7.746 7.746 7.878 -0.132 19939 7649 1 20 . 1 1 128 128 LEU N N 128 119.365 119.365 118.292 1.073 19939 7650 1 20 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.321 0.477 19939 7651 1 20 . 1 1 128 128 LEU C C 128 179.418 179.418 178.473 0.945 19939 7652 1 20 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.777 -0.041 19939 7653 1 20 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.372 -0.479 19939 7654 1 20 . 1 1 128 128 LEU H H 128 8.600 8.600 8.318 0.282 19939 7655 1 20 . 1 1 129 129 HIS N N 129 115.982 115.982 117.553 -1.571 19939 7656 1 20 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.150 0.364 19939 7657 1 20 . 1 1 129 129 HIS C C 129 178.014 178.014 177.378 0.636 19939 7658 1 20 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.360 -1.282 19939 7659 1 20 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.798 -0.452 19939 7660 1 20 . 1 1 129 129 HIS H H 129 8.041 8.041 7.859 0.182 19939 7661 1 20 . 1 1 130 130 LYS N N 130 119.804 119.804 118.846 0.958 19939 7662 1 20 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.936 0.146 19939 7663 1 20 . 1 1 130 130 LYS C C 130 177.320 177.320 178.534 -1.214 19939 7664 1 20 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.800 -0.439 19939 7665 1 20 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.430 0.140 19939 7666 1 20 . 1 1 130 130 LYS H H 130 8.136 8.136 8.249 -0.113 19939 7667 1 20 . 1 1 131 131 ASN N N 131 115.918 115.918 114.440 1.478 19939 7668 1 20 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.595 0.061 19939 7669 1 20 . 1 1 131 131 ASN C C 131 175.335 175.335 175.478 -0.143 19939 7670 1 20 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.971 -0.381 19939 7671 1 20 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.700 0.580 19939 7672 1 20 . 1 1 131 131 ASN H H 131 7.663 7.663 7.849 -0.186 19939 7673 1 20 . 1 1 132 132 GLY N N 132 108.472 108.472 106.196 2.276 19939 7674 1 20 . 1 1 132 132 GLY C C 132 174.647 174.647 173.810 0.837 19939 7675 1 20 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.044 1.285 19939 7676 1 20 . 1 1 132 132 GLY H H 132 7.854 7.854 7.489 0.365 19939 7677 1 20 . 1 1 133 133 GLU N N 133 120.028 120.028 121.708 -1.680 19939 7678 1 20 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.418 -0.058 19939 7679 1 20 . 1 1 133 133 GLU C C 133 177.324 177.324 175.544 1.780 19939 7680 1 20 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.619 1.093 19939 7681 1 20 . 1 1 133 133 GLU CB C 133 29.889 29.889 30.101 -0.212 19939 7682 1 20 . 1 1 133 133 GLU H H 133 8.142 8.142 7.593 0.549 19939 7683 1 20 . 1 1 134 134 THR N N 134 114.986 114.986 116.803 -1.817 19939 7684 1 20 . 1 1 134 134 THR HA H 134 4.362 4.362 4.504 -0.142 19939 7685 1 20 . 1 1 134 134 THR C C 134 174.926 174.926 175.415 -0.489 19939 7686 1 20 . 1 1 134 134 THR CA C 134 62.028 62.028 62.244 -0.216 19939 7687 1 20 . 1 1 134 134 THR CB C 134 69.927 69.927 69.656 0.271 19939 7688 1 20 . 1 1 134 134 THR H H 134 8.363 8.363 8.242 0.121 19939 7689 1 20 . 1 1 135 135 SER N N 135 118.353 118.353 116.559 1.794 19939 7690 1 20 . 1 1 135 135 SER HA H 135 4.530 4.530 4.379 0.151 19939 7691 1 20 . 1 1 135 135 SER C C 135 174.284 174.284 174.746 -0.462 19939 7692 1 20 . 1 1 135 135 SER CA C 135 59.506 59.506 59.697 -0.191 19939 7693 1 20 . 1 1 135 135 SER CB C 135 63.812 63.812 63.299 0.513 19939 7694 1 20 . 1 1 135 135 SER H H 135 8.580 8.580 8.206 0.374 19939 7695 1 20 . 1 1 136 136 LEU N N 136 122.995 122.995 121.453 1.542 19939 7696 1 20 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.343 0.113 19939 7697 1 20 . 1 1 136 136 LEU C C 136 175.105 175.105 175.455 -0.350 19939 7698 1 20 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.130 -0.609 19939 7699 1 20 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.256 2.220 19939 7700 1 20 . 1 1 136 136 LEU H H 136 8.048 8.048 7.727 0.321 19939 7701 1 20 . 1 1 137 137 LYS N N 137 121.086 121.086 120.941 0.145 19939 7702 1 20 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.328 -0.262 19939 7703 1 20 . 1 1 137 137 LYS CB C 137 33.201 33.201 33.092 0.109 19939 7704 1 20 . 1 1 137 137 LYS H H 137 8.786 8.786 8.003 0.783 19939 7705 1 20 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.564 -0.608 19939 7706 1 20 . 1 1 138 138 PRO C C 138 177.652 177.652 177.855 -0.203 19939 7707 1 20 . 1 1 138 138 PRO CA C 138 66.037 66.037 64.766 1.271 19939 7708 1 20 . 1 1 138 138 PRO CB C 138 31.469 31.469 32.172 -0.703 19939 7709 1 20 . 1 1 139 139 GLU N N 139 113.380 113.380 118.516 -5.136 19939 7710 1 20 . 1 1 139 139 GLU HA H 139 4.145 4.145 3.821 0.324 19939 7711 1 20 . 1 1 139 139 GLU C C 139 176.688 176.688 176.984 -0.296 19939 7712 1 20 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.673 1.098 19939 7713 1 20 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.614 -0.080 19939 7714 1 20 . 1 1 139 139 GLU H H 139 8.889 8.889 8.635 0.254 19939 7715 1 20 . 1 1 140 140 ASP N N 140 119.519 119.519 117.682 1.837 19939 7716 1 20 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.272 0.032 19939 7717 1 20 . 1 1 140 140 ASP C C 140 174.537 174.537 176.002 -1.465 19939 7718 1 20 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.346 0.562 19939 7719 1 20 . 1 1 140 140 ASP CB C 140 40.873 40.873 40.627 0.246 19939 7720 1 20 . 1 1 140 140 ASP H H 140 8.027 8.027 7.530 0.497 19939 7721 1 20 . 1 1 141 141 PHE N N 141 118.825 118.825 118.753 0.072 19939 7722 1 20 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.071 -0.204 19939 7723 1 20 . 1 1 141 141 PHE C C 141 173.522 173.522 173.599 -0.077 19939 7724 1 20 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.056 1.212 19939 7725 1 20 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.493 -0.014 19939 7726 1 20 . 1 1 141 141 PHE H H 141 7.539 7.539 7.164 0.375 19939 7727 1 20 . 1 1 142 142 ASP N N 142 122.733 122.733 125.284 -2.551 19939 7728 1 20 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.545 0.337 19939 7729 1 20 . 1 1 142 142 ASP C C 142 176.424 176.424 175.375 1.049 19939 7730 1 20 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.814 0.809 19939 7731 1 20 . 1 1 142 142 ASP CB C 142 41.683 41.683 43.141 -1.458 19939 7732 1 20 . 1 1 142 142 ASP H H 142 8.546 8.546 8.121 0.425 19939 7733 1 20 . 1 1 143 143 PHE N N 143 127.545 127.545 122.454 5.091 19939 7734 1 20 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.575 -0.067 19939 7735 1 20 . 1 1 143 143 PHE C C 143 174.878 174.878 176.792 -1.914 19939 7736 1 20 . 1 1 143 143 PHE CA C 143 59.002 59.002 59.933 -0.931 19939 7737 1 20 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.087 0.417 19939 7738 1 20 . 1 1 143 143 PHE H H 143 9.406 9.406 8.621 0.785 19939 7739 1 20 . 1 1 144 144 THR N N 144 114.719 114.719 110.984 3.735 19939 7740 1 20 . 1 1 144 144 THR HA H 144 4.581 4.581 4.057 0.524 19939 7741 1 20 . 1 1 144 144 THR CA C 144 62.519 62.519 63.159 -0.640 19939 7742 1 20 . 1 1 144 144 THR CB C 144 70.241 70.241 69.026 1.214 19939 7743 1 20 . 1 1 144 144 THR H H 144 8.360 8.360 8.199 0.161 19939 7744 1 20 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.472 -0.480 19939 7745 1 20 . 1 1 145 145 VAL C C 145 176.097 176.097 175.306 0.791 19939 7746 1 20 . 1 1 145 145 VAL CA C 145 62.742 62.742 60.783 1.959 19939 7747 1 20 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.577 0.938 19939 7748 1 20 . 1 1 145 145 VAL H H 145 8.856 8.856 8.165 0.691 19939 7749 1 20 . 1 1 146 146 LEU N N 146 124.454 124.454 124.411 0.043 19939 7750 1 20 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.144 0.222 19939 7751 1 20 . 1 1 146 146 LEU C C 146 176.924 176.924 176.501 0.423 19939 7752 1 20 . 1 1 146 146 LEU CA C 146 54.963 54.963 56.223 -1.260 19939 7753 1 20 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.779 0.659 19939 7754 1 20 . 1 1 146 146 LEU H H 146 8.082 8.082 7.365 0.717 19939 7755 1 20 . 1 1 147 147 SER N N 147 117.581 117.581 119.289 -1.708 19939 7756 1 20 . 1 1 147 147 SER HA H 147 4.589 4.589 4.688 -0.099 19939 7757 1 20 . 1 1 147 147 SER C C 147 173.419 173.419 173.689 -0.270 19939 7758 1 20 . 1 1 147 147 SER CA C 147 58.281 58.281 57.428 0.853 19939 7759 1 20 . 1 1 147 147 SER CB C 147 63.886 63.886 64.182 -0.296 19939 7760 1 20 . 1 1 147 147 SER H H 147 8.216 8.216 8.389 -0.173 19939 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 64 2.968 -0.711 2.904 19939 2 1 1 "Average Difference" HA 70 0.378 -0.053 0.377 19939 3 1 1 "Average Difference" C 65 1.025 -0.184 1.016 19939 4 1 1 "Average Difference" CA 69 0.928 -0.178 0.918 19939 5 1 1 "Average Difference" CB 64 0.907 -0.163 0.899 19939 6 1 1 "Average Difference" HN 65 0.609 -0.357 0.498 19939 7 1 2 "Average Difference" N 64 2.765 -0.568 2.727 19939 8 1 2 "Average Difference" HA 70 0.371 -0.071 0.367 19939 9 1 2 "Average Difference" C 65 1.048 -0.067 1.054 19939 10 1 2 "Average Difference" CA 69 0.896 -0.117 0.895 19939 11 1 2 "Average Difference" CB 64 0.992 -0.282 0.959 19939 12 1 2 "Average Difference" HN 65 0.612 -0.288 0.544 19939 13 1 3 "Average Difference" N 64 2.740 -0.521 2.712 19939 14 1 3 "Average Difference" HA 70 0.418 -0.075 0.414 19939 15 1 3 "Average Difference" C 65 1.003 -0.047 1.010 19939 16 1 3 "Average Difference" CA 69 0.833 -0.206 0.813 19939 17 1 3 "Average Difference" CB 64 0.983 -0.174 0.975 19939 18 1 3 "Average Difference" HN 65 0.632 -0.328 0.545 19939 19 1 4 "Average Difference" N 64 2.944 -0.719 2.877 19939 20 1 4 "Average Difference" HA 70 0.380 -0.049 0.380 19939 21 1 4 "Average Difference" C 65 1.079 -0.103 1.082 19939 22 1 4 "Average Difference" CA 69 0.843 -0.143 0.837 19939 23 1 4 "Average Difference" CB 64 1.027 -0.222 1.011 19939 24 1 4 "Average Difference" HN 65 0.648 -0.324 0.566 19939 25 1 5 "Average Difference" N 64 2.507 -0.490 2.478 19939 26 1 5 "Average Difference" HA 70 0.390 -0.070 0.386 19939 27 1 5 "Average Difference" C 65 0.989 -0.120 0.989 19939 28 1 5 "Average Difference" CA 69 0.888 -0.240 0.861 19939 29 1 5 "Average Difference" CB 64 1.121 -0.301 1.088 19939 30 1 5 "Average Difference" HN 65 0.596 -0.315 0.509 19939 31 1 6 "Average Difference" N 64 2.806 -0.418 2.797 19939 32 1 6 "Average Difference" HA 70 0.400 -0.101 0.389 19939 33 1 6 "Average Difference" C 65 0.904 -0.084 0.907 19939 34 1 6 "Average Difference" CA 69 0.833 0.011 0.839 19939 35 1 6 "Average Difference" CB 64 1.031 -0.362 0.973 19939 36 1 6 "Average Difference" HN 65 0.602 -0.331 0.507 19939 37 1 7 "Average Difference" N 64 3.007 -0.481 2.991 19939 38 1 7 "Average Difference" HA 70 0.393 -0.055 0.392 19939 39 1 7 "Average Difference" C 65 1.089 -0.165 1.085 19939 40 1 7 "Average Difference" CA 69 0.882 -0.267 0.847 19939 41 1 7 "Average Difference" CB 64 1.008 -0.119 1.009 19939 42 1 7 "Average Difference" HN 65 0.649 -0.337 0.559 19939 43 1 8 "Average Difference" N 64 2.816 -0.664 2.759 19939 44 1 8 "Average Difference" HA 70 0.406 -0.046 0.406 19939 45 1 8 "Average Difference" C 65 0.989 -0.124 0.989 19939 46 1 8 "Average Difference" CA 69 0.862 -0.132 0.858 19939 47 1 8 "Average Difference" CB 64 1.000 -0.068 1.006 19939 48 1 8 "Average Difference" HN 65 0.604 -0.308 0.524 19939 49 1 9 "Average Difference" N 64 2.426 -0.326 2.423 19939 50 1 9 "Average Difference" HA 70 0.371 -0.061 0.369 19939 51 1 9 "Average Difference" C 65 0.992 -0.057 0.998 19939 52 1 9 "Average Difference" CA 69 0.899 -0.128 0.896 19939 53 1 9 "Average Difference" CB 64 1.103 -0.294 1.071 19939 54 1 9 "Average Difference" HN 65 0.583 -0.271 0.520 19939 55 1 10 "Average Difference" N 64 3.050 -1.065 2.881 19939 56 1 10 "Average Difference" HA 70 0.394 -0.088 0.386 19939 57 1 10 "Average Difference" C 65 0.994 0.022 1.001 19939 58 1 10 "Average Difference" CA 69 0.926 0.009 0.932 19939 59 1 10 "Average Difference" CB 64 1.092 -0.349 1.042 19939 60 1 10 "Average Difference" HN 65 0.604 -0.351 0.495 19939 61 1 11 "Average Difference" N 64 2.941 -0.979 2.795 19939 62 1 11 "Average Difference" HA 70 0.413 -0.085 0.407 19939 63 1 11 "Average Difference" C 65 0.951 -0.105 0.952 19939 64 1 11 "Average Difference" CA 69 0.961 -0.232 0.939 19939 65 1 11 "Average Difference" CB 64 1.113 -0.278 1.087 19939 66 1 11 "Average Difference" HN 65 0.561 -0.326 0.460 19939 67 1 12 "Average Difference" N 64 2.893 -0.414 2.886 19939 68 1 12 "Average Difference" HA 70 0.380 -0.058 0.378 19939 69 1 12 "Average Difference" C 65 0.988 -0.086 0.992 19939 70 1 12 "Average Difference" CA 69 0.975 -0.175 0.966 19939 71 1 12 "Average Difference" CB 64 1.112 -0.173 1.107 19939 72 1 12 "Average Difference" HN 65 0.516 -0.246 0.457 19939 73 1 13 "Average Difference" N 64 2.741 -0.745 2.659 19939 74 1 13 "Average Difference" HA 70 0.365 -0.060 0.363 19939 75 1 13 "Average Difference" C 65 1.065 -0.062 1.072 19939 76 1 13 "Average Difference" CA 69 0.977 -0.049 0.982 19939 77 1 13 "Average Difference" CB 64 1.036 -0.210 1.022 19939 78 1 13 "Average Difference" HN 65 0.576 -0.280 0.507 19939 79 1 14 "Average Difference" N 64 2.670 -0.684 2.601 19939 80 1 14 "Average Difference" HA 70 0.376 -0.079 0.371 19939 81 1 14 "Average Difference" C 65 1.021 -0.026 1.029 19939 82 1 14 "Average Difference" CA 69 0.727 -0.126 0.722 19939 83 1 14 "Average Difference" CB 64 1.032 -0.235 1.013 19939 84 1 14 "Average Difference" HN 65 0.612 -0.344 0.510 19939 85 1 15 "Average Difference" N 64 2.757 -0.314 2.761 19939 86 1 15 "Average Difference" HA 70 0.392 -0.021 0.394 19939 87 1 15 "Average Difference" C 65 1.011 -0.127 1.011 19939 88 1 15 "Average Difference" CA 69 0.852 -0.191 0.836 19939 89 1 15 "Average Difference" CB 64 1.044 -0.163 1.039 19939 90 1 15 "Average Difference" HN 65 0.540 -0.282 0.464 19939 91 1 16 "Average Difference" N 64 2.572 -0.390 2.562 19939 92 1 16 "Average Difference" HA 70 0.374 -0.079 0.369 19939 93 1 16 "Average Difference" C 65 1.094 -0.150 1.092 19939 94 1 16 "Average Difference" CA 69 0.889 -0.177 0.878 19939 95 1 16 "Average Difference" CB 64 1.093 -0.344 1.046 19939 96 1 16 "Average Difference" HN 65 0.625 -0.319 0.542 19939 97 1 17 "Average Difference" N 64 2.904 -0.483 2.887 19939 98 1 17 "Average Difference" HA 70 0.330 -0.054 0.328 19939 99 1 17 "Average Difference" C 65 0.998 -0.038 1.005 19939 100 1 17 "Average Difference" CA 69 0.865 -0.069 0.868 19939 101 1 17 "Average Difference" CB 64 1.122 -0.115 1.125 19939 102 1 17 "Average Difference" HN 65 0.560 -0.288 0.484 19939 103 1 18 "Average Difference" N 64 2.933 -0.557 2.902 19939 104 1 18 "Average Difference" HA 70 0.400 -0.045 0.400 19939 105 1 18 "Average Difference" C 65 1.130 -0.103 1.134 19939 106 1 18 "Average Difference" CA 69 0.891 -0.265 0.857 19939 107 1 18 "Average Difference" CB 64 1.284 -0.384 1.235 19939 108 1 18 "Average Difference" HN 65 0.611 -0.287 0.543 19939 109 1 19 "Average Difference" N 64 2.943 -0.688 2.884 19939 110 1 19 "Average Difference" HA 70 0.388 -0.080 0.382 19939 111 1 19 "Average Difference" C 65 0.963 -0.153 0.959 19939 112 1 19 "Average Difference" CA 69 0.854 -0.093 0.855 19939 113 1 19 "Average Difference" CB 64 1.137 -0.315 1.101 19939 114 1 19 "Average Difference" HN 65 0.576 -0.298 0.496 19939 115 1 20 "Average Difference" N 64 2.572 -0.495 2.544 19939 116 1 20 "Average Difference" HA 70 0.389 -0.052 0.389 19939 117 1 20 "Average Difference" C 65 0.989 -0.163 0.983 19939 118 1 20 "Average Difference" CA 69 0.887 -0.217 0.867 19939 119 1 20 "Average Difference" CB 64 1.012 -0.175 1.005 19939 120 1 20 "Average Difference" HN 65 0.555 -0.291 0.477 19939 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 19939 _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 79 79 SER C C 79 174.960 174.960 174.616 0.344 19939 2 1 . 1 1 79 79 SER CA C 79 58.539 58.539 58.668 -0.129 19939 3 1 . 1 1 79 79 SER CB C 79 64.005 64.005 63.674 0.331 19939 4 1 . 1 1 80 80 THR N N 80 115.664 115.664 115.739 -0.075 19939 5 1 . 1 1 80 80 THR HA H 80 4.389 4.389 4.337 0.052 19939 6 1 . 1 1 80 80 THR C C 80 174.574 174.574 174.134 0.440 19939 7 1 . 1 1 80 80 THR CA C 80 62.123 62.123 62.428 -0.305 19939 8 1 . 1 1 80 80 THR CB C 80 69.660 69.660 69.209 0.451 19939 9 1 . 1 1 80 80 THR H H 80 8.340 8.340 8.172 0.168 19939 10 1 . 1 1 81 81 GLU N N 81 123.120 123.120 121.637 1.484 19939 11 1 . 1 1 81 81 GLU HA H 81 4.315 4.315 4.256 0.059 19939 12 1 . 1 1 81 81 GLU C C 81 176.123 176.123 175.953 0.170 19939 13 1 . 1 1 81 81 GLU CA C 81 56.672 56.672 56.886 -0.214 19939 14 1 . 1 1 81 81 GLU CB C 81 30.260 30.260 30.002 0.258 19939 15 1 . 1 1 81 81 GLU H H 81 8.434 8.434 8.335 0.099 19939 16 1 . 1 1 82 82 CYS N N 82 120.924 120.924 120.663 0.261 19939 17 1 . 1 1 82 82 CYS HA H 82 4.485 4.485 4.476 0.009 19939 18 1 . 1 1 82 82 CYS C C 82 174.341 174.341 174.547 -0.206 19939 19 1 . 1 1 82 82 CYS CA C 82 58.456 58.456 58.762 -0.306 19939 20 1 . 1 1 82 82 CYS CB C 82 27.989 27.989 28.332 -0.344 19939 21 1 . 1 1 82 82 CYS H H 82 8.392 8.392 8.491 -0.099 19939 22 1 . 1 1 83 83 ARG N N 83 124.156 124.156 121.602 2.554 19939 23 1 . 1 1 83 83 ARG HA H 83 4.367 4.367 4.206 0.161 19939 24 1 . 1 1 83 83 ARG C C 83 176.140 176.140 175.510 0.630 19939 25 1 . 1 1 83 83 ARG CA C 83 56.268 56.268 56.674 -0.406 19939 26 1 . 1 1 83 83 ARG CB C 83 30.862 30.862 30.474 0.388 19939 27 1 . 1 1 83 83 ARG H H 83 8.478 8.478 8.247 0.231 19939 28 1 . 1 1 84 84 LYS N N 84 122.766 122.766 121.459 1.307 19939 29 1 . 1 1 84 84 LYS C C 84 176.555 176.555 175.870 0.685 19939 30 1 . 1 1 84 84 LYS CA C 84 55.975 55.975 56.945 -0.970 19939 31 1 . 1 1 84 84 LYS CB C 84 33.334 33.334 32.388 0.946 19939 32 1 . 1 1 84 84 LYS H H 84 8.413 8.413 8.334 0.079 19939 33 1 . 1 1 85 85 SER N N 85 118.305 118.305 115.166 3.139 19939 34 1 . 1 1 85 85 SER HA H 85 4.408 4.408 4.385 0.023 19939 35 1 . 1 1 85 85 SER C C 85 173.669 173.669 173.455 0.214 19939 36 1 . 1 1 85 85 SER CA C 85 58.288 58.288 58.734 -0.446 19939 37 1 . 1 1 85 85 SER CB C 85 63.932 63.932 64.073 -0.141 19939 38 1 . 1 1 85 85 SER H H 85 8.440 8.440 8.290 0.150 19939 39 1 . 1 1 86 86 VAL N N 86 123.628 123.628 122.064 1.564 19939 40 1 . 1 1 86 86 VAL HA H 86 4.285 4.285 4.282 0.003 19939 41 1 . 1 1 86 86 VAL CA C 86 60.169 60.169 60.469 -0.300 19939 42 1 . 1 1 86 86 VAL CB C 86 33.380 33.380 31.932 1.448 19939 43 1 . 1 1 86 86 VAL H H 86 8.279 8.279 8.153 0.126 19939 44 1 . 1 1 87 87 PRO HA H 87 4.201 4.201 4.479 -0.278 19939 45 1 . 1 1 87 87 PRO C C 87 175.673 175.673 176.980 -1.307 19939 46 1 . 1 1 87 87 PRO CA C 87 63.622 63.622 62.607 1.015 19939 47 1 . 1 1 87 87 PRO CB C 87 32.040 32.040 32.269 -0.229 19939 48 1 . 1 1 88 88 CYS N N 88 120.983 120.983 121.677 -0.694 19939 49 1 . 1 1 88 88 CYS HA H 88 4.244 4.244 4.303 -0.059 19939 50 1 . 1 1 88 88 CYS C C 88 176.345 176.345 176.292 0.053 19939 51 1 . 1 1 88 88 CYS CA C 88 61.162 61.162 60.730 0.432 19939 52 1 . 1 1 88 88 CYS CB C 88 26.920 26.920 28.112 -1.192 19939 53 1 . 1 1 88 88 CYS H H 88 8.393 8.393 8.516 -0.124 19939 54 1 . 1 1 89 89 GLY N N 89 115.997 115.997 113.218 2.779 19939 55 1 . 1 1 89 89 GLY C C 89 174.168 174.168 173.320 0.848 19939 56 1 . 1 1 89 89 GLY CA C 89 45.450 45.450 45.057 0.393 19939 57 1 . 1 1 89 89 GLY H H 89 9.011 9.011 8.676 0.335 19939 58 1 . 1 1 90 90 TRP N N 90 121.603 121.603 120.248 1.355 19939 59 1 . 1 1 90 90 TRP HA H 90 4.972 4.972 5.128 -0.157 19939 60 1 . 1 1 90 90 TRP C C 90 175.327 175.327 176.061 -0.734 19939 61 1 . 1 1 90 90 TRP CA C 90 57.469 57.469 56.264 1.205 19939 62 1 . 1 1 90 90 TRP CB C 90 29.505 29.505 31.234 -1.729 19939 63 1 . 1 1 90 90 TRP H H 90 8.406 8.406 7.561 0.845 19939 64 1 . 1 1 91 91 GLU N N 91 119.691 119.691 120.761 -1.070 19939 65 1 . 1 1 91 91 GLU HA H 91 4.851 4.851 4.836 0.015 19939 66 1 . 1 1 91 91 GLU C C 91 174.309 174.309 175.454 -1.145 19939 67 1 . 1 1 91 91 GLU CA C 91 55.065 55.065 54.883 0.182 19939 68 1 . 1 1 91 91 GLU CB C 91 33.413 33.413 33.418 -0.005 19939 69 1 . 1 1 91 91 GLU H H 91 8.963 8.963 8.592 0.371 19939 70 1 . 1 1 92 92 ARG N N 92 126.749 126.749 123.027 3.722 19939 71 1 . 1 1 92 92 ARG HA H 92 4.435 4.435 4.836 -0.401 19939 72 1 . 1 1 92 92 ARG C C 92 174.635 174.635 175.165 -0.530 19939 73 1 . 1 1 92 92 ARG CA C 92 54.831 54.831 55.173 -0.342 19939 74 1 . 1 1 92 92 ARG CB C 92 33.153 33.153 32.143 1.010 19939 75 1 . 1 1 92 92 ARG H H 92 8.944 8.944 8.571 0.373 19939 76 1 . 1 1 93 93 VAL N N 93 130.450 130.450 125.616 4.834 19939 77 1 . 1 1 93 93 VAL HA H 93 4.129 4.129 4.314 -0.185 19939 78 1 . 1 1 93 93 VAL C C 93 173.391 173.391 173.832 -0.441 19939 79 1 . 1 1 93 93 VAL CA C 93 61.554 61.554 60.782 0.772 19939 80 1 . 1 1 93 93 VAL CB C 93 34.326 34.326 35.189 -0.864 19939 81 1 . 1 1 93 93 VAL H H 93 9.096 9.096 8.319 0.777 19939 82 1 . 1 1 94 94 VAL N N 94 125.534 125.534 121.299 4.235 19939 83 1 . 1 1 94 94 VAL HA H 94 4.655 4.655 4.972 -0.317 19939 84 1 . 1 1 94 94 VAL C C 94 175.830 175.830 174.867 0.963 19939 85 1 . 1 1 94 94 VAL CA C 94 61.295 61.295 59.766 1.529 19939 86 1 . 1 1 94 94 VAL CB C 94 33.064 33.064 33.800 -0.735 19939 87 1 . 1 1 94 94 VAL H H 94 8.341 8.341 8.214 0.127 19939 88 1 . 1 1 95 95 LYS N N 95 128.357 128.357 126.464 1.893 19939 89 1 . 1 1 95 95 LYS HA H 95 4.884 4.884 4.763 0.121 19939 90 1 . 1 1 95 95 LYS C C 95 175.169 175.169 175.339 -0.170 19939 91 1 . 1 1 95 95 LYS CA C 95 54.736 54.736 54.973 -0.237 19939 92 1 . 1 1 95 95 LYS CB C 95 36.190 36.190 35.548 0.642 19939 93 1 . 1 1 95 95 LYS H H 95 9.158 9.158 8.958 0.200 19939 94 1 . 1 1 96 96 GLN N N 96 128.341 128.341 123.923 4.418 19939 95 1 . 1 1 96 96 GLN HA H 96 4.470 4.470 4.487 -0.017 19939 96 1 . 1 1 96 96 GLN C C 96 175.665 175.665 175.888 -0.223 19939 97 1 . 1 1 96 96 GLN CA C 96 54.807 54.807 55.233 -0.426 19939 98 1 . 1 1 96 96 GLN CB C 96 30.119 30.119 30.109 0.010 19939 99 1 . 1 1 96 96 GLN H H 96 8.943 8.943 8.581 0.362 19939 100 1 . 1 1 97 97 ARG N N 97 127.147 127.147 124.827 2.320 19939 101 1 . 1 1 97 97 ARG HA H 97 4.439 4.439 4.344 0.095 19939 102 1 . 1 1 97 97 ARG C C 97 178.214 178.214 175.551 2.663 19939 103 1 . 1 1 97 97 ARG CA C 97 57.719 57.719 56.054 1.665 19939 104 1 . 1 1 97 97 ARG CB C 97 30.325 30.325 30.904 -0.579 19939 105 1 . 1 1 97 97 ARG H H 97 9.117 9.117 8.281 0.836 19939 106 1 . 1 1 98 98 LEU N N 98 125.934 125.934 124.260 1.674 19939 107 1 . 1 1 98 98 LEU HA H 98 4.342 4.342 4.164 0.178 19939 108 1 . 1 1 98 98 LEU C C 98 176.647 176.647 175.789 0.858 19939 109 1 . 1 1 98 98 LEU CA C 98 55.683 55.683 54.802 0.881 19939 110 1 . 1 1 98 98 LEU CB C 98 44.063 44.063 41.643 2.420 19939 111 1 . 1 1 98 98 LEU H H 98 9.054 9.054 8.481 0.573 19939 112 1 . 1 1 99 99 PHE N N 99 119.325 119.325 119.520 -0.195 19939 113 1 . 1 1 99 99 PHE HA H 99 4.951 4.951 4.686 0.265 19939 114 1 . 1 1 99 99 PHE C C 99 173.854 173.854 175.647 -1.793 19939 115 1 . 1 1 99 99 PHE CA C 99 56.704 56.704 57.501 -0.797 19939 116 1 . 1 1 99 99 PHE CB C 99 42.755 42.755 40.725 2.030 19939 117 1 . 1 1 99 99 PHE H H 99 8.245 8.245 7.931 0.314 19939 118 1 . 1 1 100 100 GLY N N 100 104.714 104.714 108.896 -4.182 19939 119 1 . 1 1 100 100 GLY C C 100 176.173 176.173 174.631 1.542 19939 120 1 . 1 1 100 100 GLY CA C 100 44.124 44.124 45.046 -0.922 19939 121 1 . 1 1 100 100 GLY H H 100 8.111 8.111 8.137 -0.026 19939 122 1 . 1 1 101 101 LYS N N 101 122.597 122.597 120.899 1.698 19939 123 1 . 1 1 101 101 LYS HA H 101 4.112 4.112 4.204 -0.092 19939 124 1 . 1 1 101 101 LYS C C 101 179.615 179.615 177.146 2.469 19939 125 1 . 1 1 101 101 LYS CA C 101 59.670 59.670 58.030 1.640 19939 126 1 . 1 1 101 101 LYS CB C 101 32.774 32.774 32.461 0.313 19939 127 1 . 1 1 101 101 LYS H H 101 9.134 9.134 8.488 0.646 19939 128 1 . 1 1 102 102 THR N N 102 108.650 108.650 109.304 -0.654 19939 129 1 . 1 1 102 102 THR HA H 102 4.339 4.339 4.357 -0.018 19939 130 1 . 1 1 102 102 THR C C 102 172.966 172.966 174.146 -1.180 19939 131 1 . 1 1 102 102 THR CA C 102 61.304 61.304 61.304 0.000 19939 132 1 . 1 1 102 102 THR CB C 102 68.948 68.948 68.977 -0.029 19939 133 1 . 1 1 102 102 THR H H 102 8.982 8.982 7.673 1.309 19939 134 1 . 1 1 103 103 ALA N N 103 123.171 123.171 124.195 -1.024 19939 135 1 . 1 1 103 103 ALA HA H 103 3.367 3.367 3.970 -0.603 19939 136 1 . 1 1 103 103 ALA C C 103 178.082 178.082 178.212 -0.130 19939 137 1 . 1 1 103 103 ALA CA C 103 54.115 54.115 53.639 0.476 19939 138 1 . 1 1 103 103 ALA CB C 103 17.941 17.941 18.674 -0.733 19939 139 1 . 1 1 103 103 ALA H H 103 6.932 6.932 7.602 -0.670 19939 140 1 . 1 1 104 104 GLY N N 104 111.443 111.443 109.641 1.802 19939 141 1 . 1 1 104 104 GLY C C 104 175.274 175.274 174.325 0.949 19939 142 1 . 1 1 104 104 GLY CA C 104 44.484 44.484 44.709 -0.225 19939 143 1 . 1 1 104 104 GLY H H 104 8.545 8.545 8.404 0.141 19939 144 1 . 1 1 105 105 ARG N N 105 119.647 119.647 121.130 -1.483 19939 145 1 . 1 1 105 105 ARG HA H 105 4.417 4.417 4.345 0.072 19939 146 1 . 1 1 105 105 ARG C C 105 174.184 174.184 174.950 -0.766 19939 147 1 . 1 1 105 105 ARG CA C 105 56.744 56.744 55.828 0.916 19939 148 1 . 1 1 105 105 ARG CB C 105 30.741 30.741 31.337 -0.595 19939 149 1 . 1 1 105 105 ARG H H 105 7.646 7.646 7.594 0.052 19939 150 1 . 1 1 106 106 PHE N N 106 117.619 117.619 120.145 -2.526 19939 151 1 . 1 1 106 106 PHE HA H 106 5.423 5.423 4.741 0.682 19939 152 1 . 1 1 106 106 PHE C C 106 175.443 175.443 175.500 -0.057 19939 153 1 . 1 1 106 106 PHE CA C 106 57.188 57.188 57.590 -0.402 19939 154 1 . 1 1 106 106 PHE CB C 106 42.528 42.528 40.980 1.548 19939 155 1 . 1 1 106 106 PHE H H 106 8.745 8.745 8.472 0.273 19939 156 1 . 1 1 107 107 ASP N N 107 119.340 119.340 125.643 -6.303 19939 157 1 . 1 1 107 107 ASP HA H 107 5.178 5.178 5.206 -0.028 19939 158 1 . 1 1 107 107 ASP C C 107 173.615 173.615 174.611 -0.996 19939 159 1 . 1 1 107 107 ASP CA C 107 53.703 53.703 53.898 -0.195 19939 160 1 . 1 1 107 107 ASP CB C 107 45.290 45.290 43.546 1.744 19939 161 1 . 1 1 107 107 ASP H H 107 8.858 8.858 8.565 0.293 19939 162 1 . 1 1 108 108 VAL N N 108 121.639 121.639 118.366 3.273 19939 163 1 . 1 1 108 108 VAL HA H 108 4.913 4.913 5.224 -0.311 19939 164 1 . 1 1 108 108 VAL C C 108 174.762 174.762 174.073 0.689 19939 165 1 . 1 1 108 108 VAL CA C 108 60.832 60.832 59.960 0.873 19939 166 1 . 1 1 108 108 VAL CB C 108 33.939 33.939 35.515 -1.577 19939 167 1 . 1 1 108 108 VAL H H 108 8.550 8.550 8.516 0.034 19939 168 1 . 1 1 109 109 TYR N N 109 121.685 121.685 118.236 3.449 19939 169 1 . 1 1 109 109 TYR HA H 109 5.419 5.419 5.026 0.393 19939 170 1 . 1 1 109 109 TYR C C 109 173.430 173.430 173.387 0.043 19939 171 1 . 1 1 109 109 TYR CA C 109 55.460 55.460 56.249 -0.789 19939 172 1 . 1 1 109 109 TYR CB C 109 42.041 42.041 40.067 1.974 19939 173 1 . 1 1 109 109 TYR H H 109 8.894 8.894 8.033 0.861 19939 174 1 . 1 1 110 110 PHE N N 110 117.355 117.355 117.486 -0.131 19939 175 1 . 1 1 110 110 PHE HA H 110 5.845 5.845 5.608 0.237 19939 176 1 . 1 1 110 110 PHE C C 110 175.425 175.425 175.059 0.366 19939 177 1 . 1 1 110 110 PHE CA C 110 56.697 56.697 55.528 1.169 19939 178 1 . 1 1 110 110 PHE CB C 110 44.118 44.118 41.521 2.597 19939 179 1 . 1 1 110 110 PHE H H 110 8.898 8.898 7.755 1.143 19939 180 1 . 1 1 111 111 ILE N N 111 121.807 121.807 122.533 -0.726 19939 181 1 . 1 1 111 111 ILE HA H 111 5.230 5.230 4.881 0.349 19939 182 1 . 1 1 111 111 ILE C C 111 176.355 176.355 175.989 0.366 19939 183 1 . 1 1 111 111 ILE CA C 111 59.979 59.979 60.040 -0.061 19939 184 1 . 1 1 111 111 ILE CB C 111 39.901 39.901 40.334 -0.433 19939 185 1 . 1 1 111 111 ILE H H 111 9.660 9.660 8.634 1.026 19939 186 1 . 1 1 112 112 SER N N 112 126.063 126.063 122.597 3.466 19939 187 1 . 1 1 112 112 SER HA H 112 3.051 3.051 4.182 -1.131 19939 188 1 . 1 1 112 112 SER CA C 112 56.697 56.697 56.619 0.078 19939 189 1 . 1 1 112 112 SER CB C 112 63.153 63.153 63.012 0.141 19939 190 1 . 1 1 112 112 SER H H 112 9.416 9.416 8.432 0.984 19939 191 1 . 1 1 113 113 PRO HA H 113 4.259 4.259 4.224 0.035 19939 192 1 . 1 1 113 113 PRO C C 113 177.214 177.214 177.379 -0.165 19939 193 1 . 1 1 113 113 PRO CA C 113 64.914 64.914 64.955 -0.041 19939 194 1 . 1 1 113 113 PRO CB C 113 31.428 31.428 31.625 -0.197 19939 195 1 . 1 1 114 114 GLN N N 114 112.298 112.298 116.026 -3.728 19939 196 1 . 1 1 114 114 GLN HA H 114 4.383 4.383 4.264 0.119 19939 197 1 . 1 1 114 114 GLN C C 114 175.990 175.990 176.981 -0.991 19939 198 1 . 1 1 114 114 GLN CA C 114 55.814 55.814 55.831 -0.016 19939 199 1 . 1 1 114 114 GLN CB C 114 28.649 28.649 28.527 0.122 19939 200 1 . 1 1 114 114 GLN H H 114 7.175 7.175 8.039 -0.864 19939 201 1 . 1 1 115 115 GLY N N 115 108.911 108.911 106.686 2.225 19939 202 1 . 1 1 115 115 GLY C C 115 174.162 174.162 173.734 0.428 19939 203 1 . 1 1 115 115 GLY CA C 115 45.319 45.319 45.164 0.155 19939 204 1 . 1 1 115 115 GLY H H 115 8.150 8.150 7.986 0.164 19939 205 1 . 1 1 116 116 LEU N N 116 121.038 121.038 121.089 -0.051 19939 206 1 . 1 1 116 116 LEU HA H 116 4.182 4.182 4.141 0.041 19939 207 1 . 1 1 116 116 LEU C C 116 175.187 175.187 175.711 -0.524 19939 208 1 . 1 1 116 116 LEU CA C 116 54.772 54.772 54.275 0.498 19939 209 1 . 1 1 116 116 LEU CB C 116 42.543 42.543 42.308 0.235 19939 210 1 . 1 1 116 116 LEU H H 116 7.166 7.166 7.537 -0.371 19939 211 1 . 1 1 117 117 LYS N N 117 121.584 121.584 121.205 0.379 19939 212 1 . 1 1 117 117 LYS HA H 117 5.269 5.269 4.411 0.858 19939 213 1 . 1 1 117 117 LYS C C 117 175.984 175.984 175.118 0.866 19939 214 1 . 1 1 117 117 LYS CA C 117 55.433 55.433 55.376 0.057 19939 215 1 . 1 1 117 117 LYS CB C 117 34.563 34.563 34.100 0.463 19939 216 1 . 1 1 117 117 LYS H H 117 8.238 8.238 7.845 0.392 19939 217 1 . 1 1 118 118 PHE N N 118 121.828 121.828 121.516 0.312 19939 218 1 . 1 1 118 118 PHE HA H 118 4.912 4.912 4.658 0.254 19939 219 1 . 1 1 118 118 PHE C C 118 176.449 176.449 174.279 2.170 19939 220 1 . 1 1 118 118 PHE CA C 118 58.006 58.006 57.224 0.782 19939 221 1 . 1 1 118 118 PHE CB C 118 42.968 42.968 42.393 0.575 19939 222 1 . 1 1 118 118 PHE H H 118 9.639 9.639 8.108 1.531 19939 223 1 . 1 1 119 119 ARG N N 119 119.546 119.546 120.234 -0.688 19939 224 1 . 1 1 119 119 ARG HA H 119 5.111 5.111 4.485 0.626 19939 225 1 . 1 1 119 119 ARG C C 119 174.704 174.704 175.210 -0.506 19939 226 1 . 1 1 119 119 ARG CA C 119 55.171 55.171 55.788 -0.617 19939 227 1 . 1 1 119 119 ARG CB C 119 31.820 31.820 31.675 0.145 19939 228 1 . 1 1 119 119 ARG H H 119 9.589 9.589 8.646 0.942 19939 229 1 . 1 1 120 120 SER N N 120 110.737 110.737 115.630 -4.893 19939 230 1 . 1 1 120 120 SER HA H 120 4.341 4.341 4.836 -0.495 19939 231 1 . 1 1 120 120 SER C C 120 172.793 172.793 174.672 -1.879 19939 232 1 . 1 1 120 120 SER CA C 120 56.032 56.032 57.009 -0.977 19939 233 1 . 1 1 120 120 SER CB C 120 66.492 66.492 65.679 0.813 19939 234 1 . 1 1 120 120 SER H H 120 7.625 7.625 7.775 -0.150 19939 235 1 . 1 1 121 121 LYS N N 121 125.451 125.451 125.237 0.214 19939 236 1 . 1 1 121 121 LYS HA H 121 3.634 3.634 4.109 -0.475 19939 237 1 . 1 1 121 121 LYS C C 121 178.826 178.826 178.273 0.553 19939 238 1 . 1 1 121 121 LYS CA C 121 59.635 59.635 59.581 0.054 19939 239 1 . 1 1 121 121 LYS CB C 121 31.154 31.154 32.204 -1.050 19939 240 1 . 1 1 121 121 LYS H H 121 8.816 8.816 8.979 -0.163 19939 241 1 . 1 1 122 122 SER N N 122 115.374 115.374 115.365 0.009 19939 242 1 . 1 1 122 122 SER HA H 122 4.136 4.136 4.250 -0.114 19939 243 1 . 1 1 122 122 SER C C 122 177.427 177.427 176.462 0.965 19939 244 1 . 1 1 122 122 SER CA C 122 61.492 61.492 61.522 -0.030 19939 245 1 . 1 1 122 122 SER CB C 122 62.342 62.342 62.602 -0.260 19939 246 1 . 1 1 122 122 SER H H 122 8.834 8.834 8.180 0.654 19939 247 1 . 1 1 123 123 SER N N 123 118.263 118.263 117.955 0.308 19939 248 1 . 1 1 123 123 SER HA H 123 4.418 4.418 4.258 0.160 19939 249 1 . 1 1 123 123 SER C C 123 178.017 178.017 176.517 1.501 19939 250 1 . 1 1 123 123 SER CA C 123 61.540 61.540 61.383 0.157 19939 251 1 . 1 1 123 123 SER CB C 123 62.967 62.967 62.877 0.090 19939 252 1 . 1 1 123 123 SER H H 123 8.043 8.043 7.974 0.069 19939 253 1 . 1 1 124 124 LEU N N 124 126.780 126.780 122.666 4.114 19939 254 1 . 1 1 124 124 LEU HA H 124 3.648 3.648 3.612 0.036 19939 255 1 . 1 1 124 124 LEU C C 124 177.987 177.987 177.742 0.245 19939 256 1 . 1 1 124 124 LEU CA C 124 58.263 58.263 57.575 0.688 19939 257 1 . 1 1 124 124 LEU CB C 124 42.301 42.301 41.396 0.905 19939 258 1 . 1 1 124 124 LEU H H 124 7.686 7.686 7.618 0.068 19939 259 1 . 1 1 125 125 ALA N N 125 121.665 121.665 120.439 1.226 19939 260 1 . 1 1 125 125 ALA HA H 125 3.690 3.690 3.942 -0.252 19939 261 1 . 1 1 125 125 ALA C C 125 180.032 180.032 179.542 0.490 19939 262 1 . 1 1 125 125 ALA CA C 125 55.687 55.687 55.181 0.506 19939 263 1 . 1 1 125 125 ALA CB C 125 17.880 17.880 18.245 -0.365 19939 264 1 . 1 1 125 125 ALA H H 125 8.912 8.912 8.216 0.695 19939 265 1 . 1 1 126 126 ASN N N 126 115.720 115.720 117.701 -1.981 19939 266 1 . 1 1 126 126 ASN HA H 126 4.493 4.493 4.585 -0.092 19939 267 1 . 1 1 126 126 ASN C C 126 177.174 177.174 177.127 0.047 19939 268 1 . 1 1 126 126 ASN CA C 126 56.371 56.371 55.849 0.522 19939 269 1 . 1 1 126 126 ASN CB C 126 38.523 38.523 38.560 -0.037 19939 270 1 . 1 1 126 126 ASN H H 126 7.963 7.963 7.965 -0.002 19939 271 1 . 1 1 127 127 TYR N N 127 121.605 121.605 122.594 -0.989 19939 272 1 . 1 1 127 127 TYR HA H 127 4.289 4.289 4.205 0.084 19939 273 1 . 1 1 127 127 TYR C C 127 177.895 177.895 177.600 0.295 19939 274 1 . 1 1 127 127 TYR CA C 127 61.576 61.576 61.696 -0.120 19939 275 1 . 1 1 127 127 TYR CB C 127 39.051 39.051 38.286 0.765 19939 276 1 . 1 1 127 127 TYR H H 127 7.746 7.746 8.338 -0.592 19939 277 1 . 1 1 128 128 LEU N N 128 119.365 119.365 118.228 1.137 19939 278 1 . 1 1 128 128 LEU HA H 128 3.798 3.798 3.484 0.314 19939 279 1 . 1 1 128 128 LEU C C 128 179.418 179.418 178.799 0.619 19939 280 1 . 1 1 128 128 LEU CA C 128 57.736 57.736 57.825 -0.089 19939 281 1 . 1 1 128 128 LEU CB C 128 40.893 40.893 41.545 -0.652 19939 282 1 . 1 1 128 128 LEU H H 128 8.600 8.600 8.239 0.361 19939 283 1 . 1 1 129 129 HIS N N 129 115.982 115.982 117.534 -1.552 19939 284 1 . 1 1 129 129 HIS HA H 129 4.514 4.514 4.190 0.324 19939 285 1 . 1 1 129 129 HIS C C 129 178.014 178.014 177.472 0.542 19939 286 1 . 1 1 129 129 HIS CA C 129 58.078 58.078 59.307 -1.229 19939 287 1 . 1 1 129 129 HIS CB C 129 29.346 29.346 29.838 -0.492 19939 288 1 . 1 1 129 129 HIS H H 129 8.041 8.041 7.692 0.349 19939 289 1 . 1 1 130 130 LYS N N 130 119.804 119.804 118.804 1.000 19939 290 1 . 1 1 130 130 LYS HA H 130 4.082 4.082 3.997 0.085 19939 291 1 . 1 1 130 130 LYS C C 130 177.320 177.320 178.402 -1.082 19939 292 1 . 1 1 130 130 LYS CA C 130 58.361 58.361 58.609 -0.248 19939 293 1 . 1 1 130 130 LYS CB C 130 32.570 32.570 32.422 0.148 19939 294 1 . 1 1 130 130 LYS H H 130 8.136 8.136 8.076 0.060 19939 295 1 . 1 1 131 131 ASN N N 131 115.918 115.918 115.092 0.826 19939 296 1 . 1 1 131 131 ASN HA H 131 4.656 4.656 4.566 0.090 19939 297 1 . 1 1 131 131 ASN C C 131 175.335 175.335 175.958 -0.623 19939 298 1 . 1 1 131 131 ASN CA C 131 53.590 53.590 53.551 0.039 19939 299 1 . 1 1 131 131 ASN CB C 131 39.280 39.280 38.846 0.434 19939 300 1 . 1 1 131 131 ASN H H 131 7.663 7.663 7.767 -0.104 19939 301 1 . 1 1 132 132 GLY N N 132 108.472 108.472 107.094 1.378 19939 302 1 . 1 1 132 132 GLY C C 132 174.647 174.647 174.044 0.603 19939 303 1 . 1 1 132 132 GLY CA C 132 46.329 46.329 45.183 1.146 19939 304 1 . 1 1 132 132 GLY H H 132 7.854 7.854 7.537 0.317 19939 305 1 . 1 1 133 133 GLU N N 133 120.028 120.028 121.512 -1.484 19939 306 1 . 1 1 133 133 GLU HA H 133 4.360 4.360 4.405 -0.045 19939 307 1 . 1 1 133 133 GLU C C 133 177.324 177.324 175.774 1.550 19939 308 1 . 1 1 133 133 GLU CA C 133 56.712 56.712 55.733 0.979 19939 309 1 . 1 1 133 133 GLU CB C 133 29.889 29.889 29.988 -0.099 19939 310 1 . 1 1 133 133 GLU H H 133 8.142 8.142 7.727 0.415 19939 311 1 . 1 1 134 134 THR N N 134 114.986 114.986 115.177 -0.191 19939 312 1 . 1 1 134 134 THR HA H 134 4.362 4.362 4.445 -0.083 19939 313 1 . 1 1 134 134 THR C C 134 174.926 174.926 175.280 -0.354 19939 314 1 . 1 1 134 134 THR CA C 134 62.028 62.028 62.155 -0.127 19939 315 1 . 1 1 134 134 THR CB C 134 69.927 69.927 69.236 0.691 19939 316 1 . 1 1 134 134 THR H H 134 8.363 8.363 8.181 0.182 19939 317 1 . 1 1 135 135 SER N N 135 118.353 118.353 117.460 0.893 19939 318 1 . 1 1 135 135 SER HA H 135 4.530 4.530 4.316 0.214 19939 319 1 . 1 1 135 135 SER C C 135 174.284 174.284 174.691 -0.407 19939 320 1 . 1 1 135 135 SER CA C 135 59.506 59.506 60.070 -0.564 19939 321 1 . 1 1 135 135 SER CB C 135 63.812 63.812 63.244 0.568 19939 322 1 . 1 1 135 135 SER H H 135 8.580 8.580 8.243 0.337 19939 323 1 . 1 1 136 136 LEU N N 136 122.995 122.995 122.145 0.850 19939 324 1 . 1 1 136 136 LEU HA H 136 4.456 4.456 4.341 0.115 19939 325 1 . 1 1 136 136 LEU C C 136 175.105 175.105 175.909 -0.804 19939 326 1 . 1 1 136 136 LEU CA C 136 54.521 54.521 55.172 -0.651 19939 327 1 . 1 1 136 136 LEU CB C 136 44.476 44.476 42.736 1.740 19939 328 1 . 1 1 136 136 LEU H H 136 8.048 8.048 7.850 0.198 19939 329 1 . 1 1 137 137 LYS N N 137 121.086 121.086 121.665 -0.579 19939 330 1 . 1 1 137 137 LYS CA C 137 53.066 53.066 53.556 -0.490 19939 331 1 . 1 1 137 137 LYS CB C 137 33.201 33.201 32.872 0.329 19939 332 1 . 1 1 137 137 LYS H H 137 8.786 8.786 8.293 0.492 19939 333 1 . 1 1 138 138 PRO HA H 138 3.956 3.956 4.355 -0.399 19939 334 1 . 1 1 138 138 PRO C C 138 177.652 177.652 177.667 -0.015 19939 335 1 . 1 1 138 138 PRO CA C 138 66.037 66.037 65.298 0.739 19939 336 1 . 1 1 138 138 PRO CB C 138 31.469 31.469 31.885 -0.416 19939 337 1 . 1 1 139 139 GLU N N 139 113.380 113.380 115.426 -2.046 19939 338 1 . 1 1 139 139 GLU HA H 139 4.145 4.145 4.028 0.117 19939 339 1 . 1 1 139 139 GLU C C 139 176.688 176.688 176.835 -0.147 19939 340 1 . 1 1 139 139 GLU CA C 139 58.771 58.771 57.421 1.350 19939 341 1 . 1 1 139 139 GLU CB C 139 28.534 28.534 28.565 -0.031 19939 342 1 . 1 1 139 139 GLU H H 139 8.889 8.889 8.379 0.510 19939 343 1 . 1 1 140 140 ASP N N 140 119.519 119.519 118.811 0.708 19939 344 1 . 1 1 140 140 ASP HA H 140 4.304 4.304 4.400 -0.096 19939 345 1 . 1 1 140 140 ASP C C 140 174.537 174.537 176.023 -1.486 19939 346 1 . 1 1 140 140 ASP CA C 140 55.908 55.908 55.601 0.307 19939 347 1 . 1 1 140 140 ASP CB C 140 40.873 40.873 41.354 -0.481 19939 348 1 . 1 1 140 140 ASP H H 140 8.027 8.027 8.076 -0.049 19939 349 1 . 1 1 141 141 PHE N N 141 118.825 118.825 117.836 0.989 19939 350 1 . 1 1 141 141 PHE HA H 141 3.867 3.867 4.239 -0.372 19939 351 1 . 1 1 141 141 PHE C C 141 173.522 173.522 174.049 -0.527 19939 352 1 . 1 1 141 141 PHE CA C 141 57.268 57.268 56.335 0.933 19939 353 1 . 1 1 141 141 PHE CB C 141 39.479 39.479 39.233 0.246 19939 354 1 . 1 1 141 141 PHE H H 141 7.539 7.539 7.288 0.251 19939 355 1 . 1 1 142 142 ASP N N 142 122.733 122.733 124.915 -2.182 19939 356 1 . 1 1 142 142 ASP HA H 142 4.882 4.882 4.509 0.373 19939 357 1 . 1 1 142 142 ASP C C 142 176.424 176.424 175.435 0.989 19939 358 1 . 1 1 142 142 ASP CA C 142 53.623 53.623 52.558 1.065 19939 359 1 . 1 1 142 142 ASP CB C 142 41.683 41.683 42.689 -1.005 19939 360 1 . 1 1 142 142 ASP H H 142 8.546 8.546 8.265 0.281 19939 361 1 . 1 1 143 143 PHE N N 143 127.545 127.545 122.298 5.247 19939 362 1 . 1 1 143 143 PHE HA H 143 4.508 4.508 4.704 -0.196 19939 363 1 . 1 1 143 143 PHE C C 143 174.878 174.878 175.527 -0.649 19939 364 1 . 1 1 143 143 PHE CA C 143 59.002 59.002 58.416 0.586 19939 365 1 . 1 1 143 143 PHE CB C 143 39.504 39.504 39.189 0.315 19939 366 1 . 1 1 143 143 PHE H H 143 9.406 9.406 8.424 0.982 19939 367 1 . 1 1 144 144 THR N N 144 114.719 114.719 115.231 -0.512 19939 368 1 . 1 1 144 144 THR HA H 144 4.581 4.581 4.084 0.497 19939 369 1 . 1 1 144 144 THR CA C 144 62.519 62.519 62.119 0.400 19939 370 1 . 1 1 144 144 THR CB C 144 70.241 70.241 69.492 0.749 19939 371 1 . 1 1 144 144 THR H H 144 8.360 8.360 7.708 0.652 19939 372 1 . 1 1 145 145 VAL HA H 145 3.992 3.992 4.052 -0.060 19939 373 1 . 1 1 145 145 VAL C C 145 176.097 176.097 175.651 0.446 19939 374 1 . 1 1 145 145 VAL CA C 145 62.742 62.742 63.016 -0.274 19939 375 1 . 1 1 145 145 VAL CB C 145 32.515 32.515 31.888 0.627 19939 376 1 . 1 1 145 145 VAL H H 145 8.856 8.856 8.267 0.589 19939 377 1 . 1 1 146 146 LEU N N 146 124.454 124.454 121.791 2.663 19939 378 1 . 1 1 146 146 LEU HA H 146 4.366 4.366 4.342 0.024 19939 379 1 . 1 1 146 146 LEU C C 146 176.924 176.924 176.746 0.178 19939 380 1 . 1 1 146 146 LEU CA C 146 54.963 54.963 55.549 -0.586 19939 381 1 . 1 1 146 146 LEU CB C 146 42.438 42.438 41.745 0.693 19939 382 1 . 1 1 146 146 LEU H H 146 8.082 8.082 8.024 0.058 19939 383 1 . 1 1 147 147 SER N N 147 117.581 117.581 115.871 1.710 19939 384 1 . 1 1 147 147 SER HA H 147 4.589 4.589 4.302 0.287 19939 385 1 . 1 1 147 147 SER C C 147 173.419 173.419 174.041 -0.622 19939 386 1 . 1 1 147 147 SER CA C 147 58.281 58.281 58.646 -0.365 19939 387 1 . 1 1 147 147 SER CB C 147 63.886 63.886 63.397 0.489 19939 388 1 . 1 1 147 147 SER H H 147 8.216 8.216 8.226 -0.010 19939 stop_ save_