data_18901 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18901 _Entry.PDB_ID 2M26 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 18901 _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 6 6 PHE N N 6 117.872 117.872 119.560 -1.688 18901 2 1 1 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.761 0.029 18901 3 1 1 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.670 0.356 18901 4 1 1 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.852 -1.592 18901 5 1 1 . 1 1 6 6 PHE H H 6 7.818 7.818 8.375 -0.557 18901 6 1 1 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.295 -59.109 18901 7 1 1 . 1 1 8 8 GLY N N 8 101.657 101.657 107.635 -5.978 18901 8 1 1 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.294 -0.118 18901 9 1 1 . 1 1 8 8 GLY H H 8 7.927 7.927 7.829 0.098 18901 10 1 1 . 1 1 9 9 ALA N N 9 120.767 120.767 121.597 -0.830 18901 11 1 1 . 1 1 9 9 ALA HA H 9 4.865 4.865 5.073 -0.208 18901 12 1 1 . 1 1 9 9 ALA CA C 9 50.198 50.198 49.306 0.892 18901 13 1 1 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.660 -1.723 18901 14 1 1 . 1 1 9 9 ALA H H 9 8.235 8.235 8.393 -0.158 18901 15 1 1 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.923 -0.566 18901 16 1 1 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.996 0.316 18901 17 1 1 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.059 0.752 18901 18 1 1 . 1 1 11 11 CYS N N 11 114.905 114.905 120.375 -5.470 18901 19 1 1 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.680 0.258 18901 20 1 1 . 1 1 11 11 CYS C C 11 172.706 172.706 174.671 -1.965 18901 21 1 1 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.778 -0.940 18901 22 1 1 . 1 1 11 11 CYS CB C 11 32.139 32.139 30.341 1.798 18901 23 1 1 . 1 1 11 11 CYS H H 11 8.084 8.084 8.636 -0.552 18901 24 1 1 . 1 1 12 12 ALA N N 12 120.844 120.844 122.532 -1.688 18901 25 1 1 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.999 -0.072 18901 26 1 1 . 1 1 12 12 ALA C C 12 176.005 176.005 176.730 -0.725 18901 27 1 1 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.629 -0.865 18901 28 1 1 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.704 -0.108 18901 29 1 1 . 1 1 12 12 ALA H H 12 8.535 8.535 8.521 0.014 18901 30 1 1 . 1 1 13 13 ILE N N 13 116.800 116.800 117.832 -1.032 18901 31 1 1 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.091 0.362 18901 32 1 1 . 1 1 13 13 ILE C C 13 177.506 177.506 176.698 0.808 18901 33 1 1 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.308 0.027 18901 34 1 1 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.653 -0.785 18901 35 1 1 . 1 1 13 13 ILE H H 13 7.802 7.802 7.718 0.084 18901 36 1 1 . 1 1 14 14 LYS N N 14 129.030 129.030 126.735 2.295 18901 37 1 1 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.646 -0.049 18901 38 1 1 . 1 1 14 14 LYS C C 14 175.508 175.508 174.300 1.208 18901 39 1 1 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.748 0.804 18901 40 1 1 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.421 -1.133 18901 41 1 1 . 1 1 14 14 LYS H H 14 9.249 9.249 8.222 1.027 18901 42 1 1 . 1 1 15 15 ILE N N 15 121.333 121.333 119.541 1.792 18901 43 1 1 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.594 -0.010 18901 44 1 1 . 1 1 15 15 ILE C C 15 175.983 175.983 175.028 0.955 18901 45 1 1 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.852 0.956 18901 46 1 1 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.406 -0.786 18901 47 1 1 . 1 1 15 15 ILE H H 15 8.231 8.231 8.217 0.014 18901 48 1 1 . 1 1 16 16 SER N N 16 120.251 120.251 119.437 0.814 18901 49 1 1 . 1 1 16 16 SER HA H 16 4.933 4.933 4.994 -0.061 18901 50 1 1 . 1 1 16 16 SER C C 16 173.725 173.725 173.394 0.331 18901 51 1 1 . 1 1 16 16 SER CA C 16 56.656 56.656 56.839 -0.183 18901 52 1 1 . 1 1 16 16 SER CB C 16 65.750 65.750 66.194 -0.444 18901 53 1 1 . 1 1 16 16 SER H H 16 8.694 8.694 8.745 -0.051 18901 54 1 1 . 1 1 17 17 LYS N N 17 124.155 124.155 121.284 2.871 18901 55 1 1 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.494 0.166 18901 56 1 1 . 1 1 17 17 LYS C C 17 175.815 175.815 175.708 0.107 18901 57 1 1 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.480 0.795 18901 58 1 1 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.710 0.856 18901 59 1 1 . 1 1 17 17 LYS H H 17 8.985 8.985 8.650 0.335 18901 60 1 1 . 1 1 18 18 SER N N 18 121.663 121.663 115.002 6.661 18901 61 1 1 . 1 1 18 18 SER HA H 18 5.076 5.076 4.921 0.155 18901 62 1 1 . 1 1 18 18 SER CA C 18 56.676 56.676 55.863 0.813 18901 63 1 1 . 1 1 18 18 SER CB C 18 64.993 64.993 63.335 1.658 18901 64 1 1 . 1 1 18 18 SER H H 18 8.555 8.555 8.154 0.401 18901 65 1 1 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.405 -0.071 18901 66 1 1 . 1 1 19 19 PRO C C 19 177.406 177.406 176.749 0.657 18901 67 1 1 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.136 0.353 18901 68 1 1 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.952 0.113 18901 69 1 1 . 1 1 20 20 ASP N N 20 110.573 110.573 118.371 -7.798 18901 70 1 1 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.863 -0.184 18901 71 1 1 . 1 1 20 20 ASP C C 20 176.667 176.667 175.564 1.103 18901 72 1 1 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.223 0.335 18901 73 1 1 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.505 -0.082 18901 74 1 1 . 1 1 20 20 ASP H H 20 8.019 8.019 8.438 -0.419 18901 75 1 1 . 1 1 21 21 GLY N N 21 107.592 107.592 105.953 1.639 18901 76 1 1 . 1 1 21 21 GLY C C 21 172.365 172.365 172.557 -0.192 18901 77 1 1 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.953 0.777 18901 78 1 1 . 1 1 21 21 GLY H H 21 7.623 7.623 7.313 0.310 18901 79 1 1 . 1 1 22 22 ALA N N 22 123.764 123.764 123.854 -0.090 18901 80 1 1 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.883 -0.096 18901 81 1 1 . 1 1 22 22 ALA C C 22 175.801 175.801 175.977 -0.176 18901 82 1 1 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.023 0.756 18901 83 1 1 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.361 -0.227 18901 84 1 1 . 1 1 22 22 ALA H H 22 8.704 8.704 8.024 0.680 18901 85 1 1 . 1 1 23 23 HIS N N 23 120.666 120.666 119.512 1.154 18901 86 1 1 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.504 0.477 18901 87 1 1 . 1 1 23 23 HIS C C 23 174.199 174.199 174.385 -0.186 18901 88 1 1 . 1 1 23 23 HIS CA C 23 54.267 54.267 57.138 -2.871 18901 89 1 1 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.854 -0.865 18901 90 1 1 . 1 1 23 23 HIS H H 23 9.088 9.088 8.514 0.574 18901 91 1 1 . 1 1 24 24 LEU N N 24 127.467 127.467 122.664 4.803 18901 92 1 1 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.930 0.250 18901 93 1 1 . 1 1 24 24 LEU C C 24 176.430 176.430 175.841 0.589 18901 94 1 1 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.708 1.820 18901 95 1 1 . 1 1 24 24 LEU CB C 24 44.957 44.957 45.898 -0.941 18901 96 1 1 . 1 1 24 24 LEU H H 24 8.702 8.702 8.437 0.265 18901 97 1 1 . 1 1 25 25 THR N N 25 111.459 111.459 112.354 -0.895 18901 98 1 1 . 1 1 25 25 THR HA H 25 4.186 4.186 3.682 0.504 18901 99 1 1 . 1 1 25 25 THR C C 25 172.720 172.720 171.227 1.493 18901 100 1 1 . 1 1 25 25 THR CA C 25 60.798 60.798 60.958 -0.160 18901 101 1 1 . 1 1 25 25 THR CB C 25 72.021 72.021 69.976 2.045 18901 102 1 1 . 1 1 25 25 THR H H 25 8.643 8.643 7.190 1.453 18901 103 1 1 . 1 1 26 26 TRP N N 26 117.073 117.073 122.502 -5.429 18901 104 1 1 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.019 0.014 18901 105 1 1 . 1 1 26 26 TRP C C 26 173.425 173.425 174.183 -0.758 18901 106 1 1 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.428 0.258 18901 107 1 1 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.282 -2.125 18901 108 1 1 . 1 1 26 26 TRP H H 26 7.301 7.301 8.295 -0.994 18901 109 1 1 . 1 1 27 27 GLU N N 27 115.563 115.563 118.461 -2.898 18901 110 1 1 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.982 -0.160 18901 111 1 1 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.524 -0.635 18901 112 1 1 . 1 1 27 27 GLU CB C 27 30.830 30.830 33.031 -2.201 18901 113 1 1 . 1 1 27 27 GLU H H 27 8.753 8.753 8.894 -0.141 18901 114 1 1 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.789 -0.450 18901 115 1 1 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.982 3.565 18901 116 1 1 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.772 1.369 18901 117 1 1 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.487 -0.202 18901 118 1 1 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.955 -0.975 18901 119 1 1 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.515 0.369 18901 120 1 1 . 1 1 30 30 SER N N 30 110.838 110.838 115.062 -4.224 18901 121 1 1 . 1 1 30 30 SER HA H 30 3.910 3.910 4.668 -0.758 18901 122 1 1 . 1 1 30 30 SER CA C 30 56.967 56.967 58.094 -1.127 18901 123 1 1 . 1 1 30 30 SER CB C 30 64.771 64.771 62.287 2.484 18901 124 1 1 . 1 1 30 30 SER H H 30 8.317 8.317 8.484 -0.167 18901 125 1 1 . 1 1 31 31 VAL N N 31 114.209 114.209 119.968 -5.759 18901 126 1 1 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.572 -0.364 18901 127 1 1 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.528 -0.748 18901 128 1 1 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.869 -0.098 18901 129 1 1 . 1 1 31 31 VAL H H 31 8.320 8.320 7.851 0.469 18901 130 1 1 . 1 1 32 32 THR N N 32 119.600 119.600 115.165 4.435 18901 131 1 1 . 1 1 32 32 THR HA H 32 4.179 4.179 4.629 -0.450 18901 132 1 1 . 1 1 32 32 THR CA C 32 60.465 60.465 60.409 0.056 18901 133 1 1 . 1 1 32 32 THR CB C 32 63.211 63.211 70.587 -7.376 18901 134 1 1 . 1 1 32 32 THR H H 32 7.828 7.828 7.961 -0.133 18901 135 1 1 . 1 1 33 33 SER N N 33 115.967 115.967 117.300 -1.333 18901 136 1 1 . 1 1 33 33 SER HA H 33 4.179 4.179 4.268 -0.089 18901 137 1 1 . 1 1 33 33 SER C C 33 174.332 174.332 175.244 -0.912 18901 138 1 1 . 1 1 33 33 SER CA C 33 60.428 60.428 59.834 0.594 18901 139 1 1 . 1 1 33 33 SER CB C 33 62.209 62.209 63.322 -1.113 18901 140 1 1 . 1 1 33 33 SER H H 33 8.292 8.292 8.534 -0.242 18901 141 1 1 . 1 1 34 34 GLY N N 34 106.879 106.879 109.827 -2.948 18901 142 1 1 . 1 1 34 34 GLY C C 34 173.709 173.709 173.509 0.200 18901 143 1 1 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.825 -0.454 18901 144 1 1 . 1 1 34 34 GLY H H 34 7.848 7.848 8.334 -0.486 18901 145 1 1 . 1 1 35 35 LYS N N 35 122.205 122.205 125.028 -2.823 18901 146 1 1 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.484 -0.174 18901 147 1 1 . 1 1 35 35 LYS C C 35 176.262 176.262 175.269 0.993 18901 148 1 1 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.324 0.347 18901 149 1 1 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.248 1.999 18901 150 1 1 . 1 1 35 35 LYS H H 35 8.628 8.628 8.411 0.217 18901 151 1 1 . 1 1 36 36 ILE N N 36 120.178 120.178 122.102 -1.924 18901 152 1 1 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.036 0.085 18901 153 1 1 . 1 1 36 36 ILE C C 36 177.751 177.751 176.879 0.872 18901 154 1 1 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.793 -2.872 18901 155 1 1 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.907 -3.595 18901 156 1 1 . 1 1 36 36 ILE H H 36 8.344 8.344 8.036 0.308 18901 157 1 1 . 1 1 37 37 ILE N N 37 122.285 122.285 119.450 2.835 18901 158 1 1 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.567 -0.350 18901 159 1 1 . 1 1 37 37 ILE C C 37 176.085 176.085 175.638 0.447 18901 160 1 1 . 1 1 37 37 ILE CA C 37 60.942 60.942 60.820 0.122 18901 161 1 1 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.367 -0.568 18901 162 1 1 . 1 1 37 37 ILE H H 37 8.460 8.460 8.906 -0.446 18901 163 1 1 . 1 1 38 38 GLU N N 38 116.489 116.489 118.179 -1.690 18901 164 1 1 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.876 -0.707 18901 165 1 1 . 1 1 38 38 GLU C C 38 171.864 171.864 173.884 -2.020 18901 166 1 1 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.537 0.439 18901 167 1 1 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.332 1.148 18901 168 1 1 . 1 1 38 38 GLU H H 38 7.143 7.143 7.632 -0.489 18901 169 1 1 . 1 1 39 39 TYR N N 39 118.418 118.418 116.848 1.570 18901 170 1 1 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.861 0.834 18901 171 1 1 . 1 1 39 39 TYR C C 39 176.190 176.190 174.541 1.649 18901 172 1 1 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.346 -0.435 18901 173 1 1 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.577 1.159 18901 174 1 1 . 1 1 39 39 TYR H H 39 8.860 8.860 8.862 -0.002 18901 175 1 1 . 1 1 40 40 SER N N 40 111.613 111.613 112.873 -1.260 18901 176 1 1 . 1 1 40 40 SER HA H 40 5.497 5.497 4.389 1.108 18901 177 1 1 . 1 1 40 40 SER C C 40 172.888 172.888 171.400 1.488 18901 178 1 1 . 1 1 40 40 SER CA C 40 58.729 58.729 57.111 1.618 18901 179 1 1 . 1 1 40 40 SER CB C 40 69.596 69.596 66.883 2.713 18901 180 1 1 . 1 1 40 40 SER H H 40 8.705 8.705 8.187 0.518 18901 181 1 1 . 1 1 41 41 VAL N N 41 119.202 119.202 122.060 -2.858 18901 182 1 1 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.288 0.548 18901 183 1 1 . 1 1 41 41 VAL C C 41 175.106 175.106 173.547 1.559 18901 184 1 1 . 1 1 41 41 VAL CA C 41 60.666 60.666 60.617 0.049 18901 185 1 1 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.436 0.255 18901 186 1 1 . 1 1 41 41 VAL H H 41 8.428 8.428 8.383 0.045 18901 187 1 1 . 1 1 42 42 TYR N N 42 124.792 124.792 127.858 -3.066 18901 188 1 1 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.735 0.761 18901 189 1 1 . 1 1 42 42 TYR C C 42 174.659 174.659 174.514 0.145 18901 190 1 1 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.130 0.629 18901 191 1 1 . 1 1 42 42 TYR CB C 42 42.396 42.396 36.419 5.977 18901 192 1 1 . 1 1 42 42 TYR H H 42 9.773 9.773 8.194 1.579 18901 193 1 1 . 1 1 43 43 LEU N N 43 123.210 123.210 126.208 -2.998 18901 194 1 1 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.193 1.060 18901 195 1 1 . 1 1 43 43 LEU C C 43 176.296 176.296 175.652 0.644 18901 196 1 1 . 1 1 43 43 LEU CA C 43 53.346 53.346 54.161 -0.815 18901 197 1 1 . 1 1 43 43 LEU CB C 43 48.549 48.549 43.253 5.296 18901 198 1 1 . 1 1 43 43 LEU H H 43 9.368 9.368 8.038 1.330 18901 199 1 1 . 1 1 44 44 ALA N N 44 127.556 127.556 128.201 -0.645 18901 200 1 1 . 1 1 44 44 ALA HA H 44 4.324 4.324 5.316 -0.992 18901 201 1 1 . 1 1 44 44 ALA C C 44 178.318 178.318 176.780 1.538 18901 202 1 1 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.221 0.522 18901 203 1 1 . 1 1 44 44 ALA CB C 44 18.649 18.649 20.239 -1.590 18901 204 1 1 . 1 1 44 44 ALA H H 44 8.366 8.366 8.211 0.155 18901 205 1 1 . 1 1 45 45 ILE N N 45 119.672 119.672 114.189 5.483 18901 206 1 1 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.670 0.073 18901 207 1 1 . 1 1 45 45 ILE C C 45 175.937 175.937 175.310 0.627 18901 208 1 1 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.987 0.133 18901 209 1 1 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.448 0.341 18901 210 1 1 . 1 1 45 45 ILE H H 45 8.599 8.599 7.779 0.820 18901 211 1 1 . 1 1 46 46 GLN N N 46 120.248 120.248 121.573 -1.325 18901 212 1 1 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.369 0.038 18901 213 1 1 . 1 1 46 46 GLN C C 46 176.355 176.355 174.918 1.437 18901 214 1 1 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.553 -0.739 18901 215 1 1 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.079 1.761 18901 216 1 1 . 1 1 46 46 GLN H H 46 8.207 8.207 8.555 -0.348 18901 217 1 1 . 1 1 47 47 SER N N 47 117.541 117.541 117.962 -0.421 18901 218 1 1 . 1 1 47 47 SER HA H 47 4.445 4.445 4.610 -0.165 18901 219 1 1 . 1 1 47 47 SER C C 47 175.100 175.100 172.980 2.120 18901 220 1 1 . 1 1 47 47 SER CA C 47 57.957 57.957 57.203 0.754 18901 221 1 1 . 1 1 47 47 SER CB C 47 64.188 64.188 64.406 -0.218 18901 222 1 1 . 1 1 47 47 SER H H 47 8.316 8.316 8.020 0.296 18901 223 1 1 . 1 1 48 48 SER N N 48 116.421 116.421 117.202 -0.781 18901 224 1 1 . 1 1 48 48 SER HA H 48 4.446 4.446 4.495 -0.049 18901 225 1 1 . 1 1 48 48 SER CA C 48 58.395 58.395 59.122 -0.727 18901 226 1 1 . 1 1 48 48 SER CB C 48 63.932 63.932 63.723 0.209 18901 227 1 1 . 1 1 48 48 SER H H 48 8.096 8.096 8.427 -0.331 18901 228 1 1 . 1 1 49 49 GLN N N 49 120.755 120.755 123.269 -2.514 18901 229 1 1 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.486 -0.175 18901 230 1 1 . 1 1 49 49 GLN C C 49 176.420 176.420 174.442 1.978 18901 231 1 1 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.092 0.750 18901 232 1 1 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.889 -1.138 18901 233 1 1 . 1 1 49 49 GLN H H 49 8.308 8.308 8.482 -0.174 18901 234 1 1 . 1 1 50 50 ALA N N 50 124.199 124.199 123.063 1.136 18901 235 1 1 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.373 -0.061 18901 236 1 1 . 1 1 50 50 ALA C C 50 178.375 178.375 175.985 2.390 18901 237 1 1 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.361 0.259 18901 238 1 1 . 1 1 50 50 ALA CB C 50 19.453 19.453 19.297 0.156 18901 239 1 1 . 1 1 50 50 ALA H H 50 8.219 8.219 8.373 -0.154 18901 240 1 1 . 1 1 51 51 SER N N 51 113.652 113.652 114.298 -0.646 18901 241 1 1 . 1 1 51 51 SER HA H 51 4.307 4.307 4.495 -0.188 18901 242 1 1 . 1 1 51 51 SER C C 51 175.739 175.739 173.238 2.501 18901 243 1 1 . 1 1 51 51 SER CA C 51 52.695 52.695 58.370 -5.676 18901 244 1 1 . 1 1 51 51 SER CB C 51 62.104 62.104 64.228 -2.124 18901 245 1 1 . 1 1 51 51 SER H H 51 8.148 8.148 8.189 -0.041 18901 246 1 1 . 1 1 52 52 GLY N N 52 109.442 109.442 112.739 -3.297 18901 247 1 1 . 1 1 52 52 GLY C C 52 174.511 174.511 173.197 1.314 18901 248 1 1 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.800 -0.403 18901 249 1 1 . 1 1 52 52 GLY H H 52 8.267 8.267 8.119 0.148 18901 250 1 1 . 1 1 53 53 GLU N N 53 120.137 120.137 123.492 -3.355 18901 251 1 1 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.827 -0.274 18901 252 1 1 . 1 1 53 53 GLU CA C 53 54.055 54.055 52.958 1.097 18901 253 1 1 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.944 -0.100 18901 254 1 1 . 1 1 53 53 GLU H H 53 7.951 7.951 8.357 -0.406 18901 255 1 1 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.426 -0.061 18901 256 1 1 . 1 1 54 54 PRO C C 54 177.830 177.830 177.070 0.760 18901 257 1 1 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.674 0.036 18901 258 1 1 . 1 1 54 54 PRO CB C 54 32.712 32.712 31.953 0.760 18901 259 1 1 . 1 1 55 55 LYS N N 55 119.406 119.406 121.734 -2.328 18901 260 1 1 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.967 0.298 18901 261 1 1 . 1 1 55 55 LYS C C 55 177.347 177.347 175.595 1.752 18901 262 1 1 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.181 -0.484 18901 263 1 1 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.096 1.150 18901 264 1 1 . 1 1 55 55 LYS H H 55 8.315 8.315 8.830 -0.515 18901 265 1 1 . 1 1 56 56 SER N N 56 114.624 114.624 113.454 1.170 18901 266 1 1 . 1 1 56 56 SER HA H 56 4.564 4.564 4.126 0.438 18901 267 1 1 . 1 1 56 56 SER C C 56 175.285 175.285 173.959 1.326 18901 268 1 1 . 1 1 56 56 SER CA C 56 60.090 60.090 59.692 0.398 18901 269 1 1 . 1 1 56 56 SER CB C 56 63.305 63.305 63.175 0.130 18901 270 1 1 . 1 1 56 56 SER H H 56 8.090 8.090 7.938 0.152 18901 271 1 1 . 1 1 57 57 SER N N 57 116.016 116.016 116.046 -0.030 18901 272 1 1 . 1 1 57 57 SER HA H 57 4.455 4.455 4.677 -0.222 18901 273 1 1 . 1 1 57 57 SER C C 57 174.988 174.988 173.466 1.522 18901 274 1 1 . 1 1 57 57 SER CA C 57 58.332 58.332 58.291 0.041 18901 275 1 1 . 1 1 57 57 SER CB C 57 63.876 63.876 63.890 -0.014 18901 276 1 1 . 1 1 57 57 SER H H 57 8.224 8.224 8.467 -0.243 18901 277 1 1 . 1 1 58 58 THR N N 58 116.090 116.090 113.534 2.556 18901 278 1 1 . 1 1 58 58 THR HA H 58 4.602 4.602 4.534 0.068 18901 279 1 1 . 1 1 58 58 THR CA C 58 59.935 59.935 60.216 -0.281 18901 280 1 1 . 1 1 58 58 THR CB C 58 69.773 69.773 69.090 0.683 18901 281 1 1 . 1 1 58 58 THR H H 58 7.939 7.939 7.489 0.450 18901 282 1 1 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.388 -0.107 18901 283 1 1 . 1 1 59 59 PRO C C 59 177.272 177.272 175.872 1.400 18901 284 1 1 . 1 1 59 59 PRO CA C 59 62.076 62.076 63.033 -0.957 18901 285 1 1 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.139 2.639 18901 286 1 1 . 1 1 60 60 ALA N N 60 122.319 122.319 128.263 -5.944 18901 287 1 1 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.291 -0.072 18901 288 1 1 . 1 1 60 60 ALA C C 60 178.277 178.277 175.694 2.583 18901 289 1 1 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.749 0.751 18901 290 1 1 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.410 -0.951 18901 291 1 1 . 1 1 60 60 ALA H H 60 8.156 8.156 7.790 0.366 18901 292 1 1 . 1 1 61 61 GLN N N 61 117.680 117.680 122.832 -5.152 18901 293 1 1 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.127 0.151 18901 294 1 1 . 1 1 61 61 GLN C C 61 176.148 176.148 174.884 1.264 18901 295 1 1 . 1 1 61 61 GLN CA C 61 55.525 55.525 56.187 -0.662 18901 296 1 1 . 1 1 61 61 GLN CB C 61 30.044 30.044 27.738 2.306 18901 297 1 1 . 1 1 61 61 GLN H H 61 8.016 8.016 8.430 -0.414 18901 298 1 1 . 1 1 62 62 LEU N N 62 121.805 121.805 124.631 -2.826 18901 299 1 1 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.188 -0.059 18901 300 1 1 . 1 1 62 62 LEU C C 62 176.202 176.202 176.205 -0.003 18901 301 1 1 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.916 0.658 18901 302 1 1 . 1 1 62 62 LEU CB C 62 43.290 43.290 42.203 1.087 18901 303 1 1 . 1 1 62 62 LEU H H 62 7.968 7.968 8.225 -0.257 18901 304 1 1 . 1 1 63 63 ALA N N 63 124.947 124.947 122.012 2.935 18901 305 1 1 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.393 0.103 18901 306 1 1 . 1 1 63 63 ALA C C 63 176.252 176.252 175.724 0.528 18901 307 1 1 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.065 -0.267 18901 308 1 1 . 1 1 63 63 ALA CB C 63 20.646 20.646 19.981 0.665 18901 309 1 1 . 1 1 63 63 ALA H H 63 8.434 8.434 7.780 0.654 18901 310 1 1 . 1 1 64 64 PHE N N 64 117.099 117.099 121.374 -4.275 18901 311 1 1 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.309 -0.225 18901 312 1 1 . 1 1 64 64 PHE C C 64 176.403 176.403 175.406 0.997 18901 313 1 1 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.843 1.890 18901 314 1 1 . 1 1 64 64 PHE CB C 64 42.810 42.810 43.449 -0.639 18901 315 1 1 . 1 1 64 64 PHE H H 64 8.446 8.446 8.371 0.075 18901 316 1 1 . 1 1 65 65 MET N N 65 120.470 120.470 116.764 3.706 18901 317 1 1 . 1 1 65 65 MET HA H 65 4.902 4.902 4.851 0.051 18901 318 1 1 . 1 1 65 65 MET CA C 65 53.984 53.984 55.242 -1.258 18901 319 1 1 . 1 1 65 65 MET CB C 65 36.825 36.825 36.209 0.616 18901 320 1 1 . 1 1 65 65 MET H H 65 9.050 9.050 9.023 0.027 18901 321 1 1 . 1 1 66 66 ARG N N 66 120.685 120.685 121.666 -0.981 18901 322 1 1 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.294 -0.151 18901 323 1 1 . 1 1 66 66 ARG C C 66 176.916 176.916 175.710 1.206 18901 324 1 1 . 1 1 66 66 ARG CA C 66 57.962 57.962 57.069 0.893 18901 325 1 1 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.726 2.346 18901 326 1 1 . 1 1 66 66 ARG H H 66 7.540 7.540 8.356 -0.816 18901 327 1 1 . 1 1 67 67 VAL N N 67 117.677 117.677 116.012 1.665 18901 328 1 1 . 1 1 67 67 VAL HA H 67 4.714 4.714 4.133 0.581 18901 329 1 1 . 1 1 67 67 VAL C C 67 175.777 175.777 176.197 -0.420 18901 330 1 1 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.962 -3.043 18901 331 1 1 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.313 1.101 18901 332 1 1 . 1 1 67 67 VAL H H 67 8.859 8.859 8.370 0.489 18901 333 1 1 . 1 1 68 68 TYR N N 68 120.707 120.707 121.710 -1.003 18901 334 1 1 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.370 0.407 18901 335 1 1 . 1 1 68 68 TYR C C 68 173.712 173.712 174.816 -1.104 18901 336 1 1 . 1 1 68 68 TYR CA C 68 58.305 58.305 60.163 -1.858 18901 337 1 1 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.762 4.294 18901 338 1 1 . 1 1 68 68 TYR H H 68 7.539 7.539 7.580 -0.041 18901 339 1 1 . 1 1 69 69 CYS N N 69 127.927 127.927 124.849 3.078 18901 340 1 1 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.645 0.424 18901 341 1 1 . 1 1 69 69 CYS C C 69 174.094 174.094 173.619 0.475 18901 342 1 1 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.793 -1.603 18901 343 1 1 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.404 -0.414 18901 344 1 1 . 1 1 69 69 CYS H H 69 7.601 7.601 8.206 -0.605 18901 345 1 1 . 1 1 70 70 GLY N N 70 114.822 114.822 109.061 5.761 18901 346 1 1 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.051 3.095 18901 347 1 1 . 1 1 70 70 GLY H H 70 8.336 8.336 6.813 1.523 18901 348 1 1 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.820 -0.272 18901 349 1 1 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.512 0.152 18901 350 1 1 . 1 1 72 72 SER N N 72 112.451 112.451 114.872 -2.421 18901 351 1 1 . 1 1 72 72 SER HA H 72 4.850 4.850 5.028 -0.178 18901 352 1 1 . 1 1 72 72 SER CA C 72 56.874 56.874 56.573 0.301 18901 353 1 1 . 1 1 72 72 SER CB C 72 63.248 63.248 63.545 -0.297 18901 354 1 1 . 1 1 72 72 SER H H 72 7.327 7.327 8.237 -0.910 18901 355 1 1 . 1 1 73 73 PRO HA H 73 4.193 4.193 5.010 -0.817 18901 356 1 1 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.928 0.627 18901 357 1 1 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.394 -0.158 18901 358 1 1 . 1 1 74 74 SER N N 74 111.450 111.450 109.853 1.597 18901 359 1 1 . 1 1 74 74 SER HA H 74 3.907 3.907 3.943 -0.036 18901 360 1 1 . 1 1 74 74 SER CA C 74 56.710 56.710 58.807 -2.097 18901 361 1 1 . 1 1 74 74 SER CB C 74 64.647 64.647 61.484 3.163 18901 362 1 1 . 1 1 74 74 SER H H 74 6.909 6.909 8.383 -1.474 18901 363 1 1 . 1 1 75 75 CYS N N 75 124.103 124.103 117.766 6.337 18901 364 1 1 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.671 -1.112 18901 365 1 1 . 1 1 75 75 CYS C C 75 171.568 171.568 174.723 -3.155 18901 366 1 1 . 1 1 75 75 CYS CA C 75 62.200 62.200 57.379 4.821 18901 367 1 1 . 1 1 75 75 CYS CB C 75 26.251 26.251 29.137 -2.885 18901 368 1 1 . 1 1 75 75 CYS H H 75 6.017 6.017 8.136 -2.119 18901 369 1 1 . 1 1 76 76 LEU N N 76 121.191 121.191 119.537 1.654 18901 370 1 1 . 1 1 76 76 LEU HA H 76 4.823 4.823 5.025 -0.202 18901 371 1 1 . 1 1 76 76 LEU C C 76 176.786 176.786 176.296 0.490 18901 372 1 1 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.404 -1.039 18901 373 1 1 . 1 1 76 76 LEU CB C 76 44.226 44.226 43.191 1.035 18901 374 1 1 . 1 1 76 76 LEU H H 76 8.015 8.015 8.160 -0.145 18901 375 1 1 . 1 1 77 77 VAL N N 77 126.347 126.347 116.609 9.738 18901 376 1 1 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.369 -0.117 18901 377 1 1 . 1 1 77 77 VAL C C 77 175.529 175.529 174.246 1.283 18901 378 1 1 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.613 1.038 18901 379 1 1 . 1 1 77 77 VAL CB C 77 32.676 32.676 36.388 -3.712 18901 380 1 1 . 1 1 77 77 VAL H H 77 9.084 9.084 7.780 1.304 18901 381 1 1 . 1 1 78 78 GLN N N 78 124.566 124.566 127.090 -2.524 18901 382 1 1 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.297 0.218 18901 383 1 1 . 1 1 78 78 GLN C C 78 178.805 178.805 177.019 1.786 18901 384 1 1 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.701 0.215 18901 385 1 1 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.108 1.290 18901 386 1 1 . 1 1 78 78 GLN H H 78 8.908 8.908 8.730 0.178 18901 387 1 1 . 1 1 79 79 SER N N 79 116.974 116.974 118.872 -1.898 18901 388 1 1 . 1 1 79 79 SER HA H 79 4.087 4.087 4.241 -0.154 18901 389 1 1 . 1 1 79 79 SER C C 79 177.179 177.179 176.440 0.739 18901 390 1 1 . 1 1 79 79 SER CA C 79 62.454 62.454 61.512 0.942 18901 391 1 1 . 1 1 79 79 SER CB C 79 62.787 62.787 62.898 -0.111 18901 392 1 1 . 1 1 79 79 SER H H 79 8.458 8.458 8.914 -0.456 18901 393 1 1 . 1 1 80 80 SER N N 80 114.734 114.734 116.085 -1.351 18901 394 1 1 . 1 1 80 80 SER HA H 80 4.211 4.211 4.403 -0.192 18901 395 1 1 . 1 1 80 80 SER C C 80 177.853 177.853 176.766 1.087 18901 396 1 1 . 1 1 80 80 SER CA C 80 61.190 61.190 61.162 0.028 18901 397 1 1 . 1 1 80 80 SER CB C 80 62.358 62.358 62.564 -0.206 18901 398 1 1 . 1 1 80 80 SER H H 80 8.537 8.537 8.452 0.085 18901 399 1 1 . 1 1 81 81 SER N N 81 117.137 117.137 117.986 -0.849 18901 400 1 1 . 1 1 81 81 SER HA H 81 4.455 4.455 4.430 0.025 18901 401 1 1 . 1 1 81 81 SER C C 81 175.702 175.702 175.371 0.331 18901 402 1 1 . 1 1 81 81 SER CA C 81 61.433 61.433 60.554 0.878 18901 403 1 1 . 1 1 81 81 SER CB C 81 63.130 63.130 63.420 -0.290 18901 404 1 1 . 1 1 81 81 SER H H 81 7.514 7.514 8.006 -0.492 18901 405 1 1 . 1 1 82 82 LEU N N 82 117.548 117.548 119.442 -1.894 18901 406 1 1 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.292 -0.259 18901 407 1 1 . 1 1 82 82 LEU C C 82 179.445 179.445 179.212 0.233 18901 408 1 1 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.341 -0.639 18901 409 1 1 . 1 1 82 82 LEU CB C 82 41.788 41.788 42.407 -0.619 18901 410 1 1 . 1 1 82 82 LEU H H 82 7.629 7.629 7.406 0.223 18901 411 1 1 . 1 1 83 83 SER N N 83 113.258 113.258 114.722 -1.464 18901 412 1 1 . 1 1 83 83 SER HA H 83 4.214 4.214 4.316 -0.102 18901 413 1 1 . 1 1 83 83 SER C C 83 175.256 175.256 175.641 -0.385 18901 414 1 1 . 1 1 83 83 SER CA C 83 61.192 61.192 61.112 0.080 18901 415 1 1 . 1 1 83 83 SER CB C 83 63.544 63.544 63.302 0.242 18901 416 1 1 . 1 1 83 83 SER H H 83 7.805 7.805 8.386 -0.581 18901 417 1 1 . 1 1 84 84 ASN N N 84 116.565 116.565 117.967 -1.402 18901 418 1 1 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.696 0.226 18901 419 1 1 . 1 1 84 84 ASN C C 84 175.063 175.063 174.107 0.956 18901 420 1 1 . 1 1 84 84 ASN CA C 84 52.672 52.672 52.933 -0.261 18901 421 1 1 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.341 1.350 18901 422 1 1 . 1 1 84 84 ASN H H 84 7.612 7.612 8.070 -0.458 18901 423 1 1 . 1 1 85 85 ALA N N 85 119.819 119.819 120.746 -0.927 18901 424 1 1 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.725 -0.476 18901 425 1 1 . 1 1 85 85 ALA C C 85 178.113 178.113 176.603 1.510 18901 426 1 1 . 1 1 85 85 ALA CA C 85 53.065 53.065 50.651 2.414 18901 427 1 1 . 1 1 85 85 ALA CB C 85 19.820 19.820 20.627 -0.807 18901 428 1 1 . 1 1 85 85 ALA H H 85 7.558 7.558 7.096 0.462 18901 429 1 1 . 1 1 86 86 HIS N N 86 118.388 118.388 120.659 -2.271 18901 430 1 1 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.658 -0.253 18901 431 1 1 . 1 1 86 86 HIS C C 86 175.333 175.333 175.300 0.033 18901 432 1 1 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.403 0.216 18901 433 1 1 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.423 -2.225 18901 434 1 1 . 1 1 86 86 HIS H H 86 8.280 8.280 8.340 -0.060 18901 435 1 1 . 1 1 87 87 ILE N N 87 126.618 126.618 124.162 2.456 18901 436 1 1 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.468 -0.413 18901 437 1 1 . 1 1 87 87 ILE C C 87 174.718 174.718 176.095 -1.377 18901 438 1 1 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.849 -0.422 18901 439 1 1 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.370 -0.928 18901 440 1 1 . 1 1 87 87 ILE H H 87 7.873 7.873 8.593 -0.720 18901 441 1 1 . 1 1 88 88 ASP N N 88 124.684 124.684 124.034 0.650 18901 442 1 1 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.606 -0.094 18901 443 1 1 . 1 1 88 88 ASP C C 88 176.506 176.506 175.178 1.328 18901 444 1 1 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.045 -0.808 18901 445 1 1 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.503 1.258 18901 446 1 1 . 1 1 88 88 ASP H H 88 8.572 8.572 8.726 -0.154 18901 447 1 1 . 1 1 89 89 TYR N N 89 122.959 122.959 124.505 -1.546 18901 448 1 1 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.677 -0.298 18901 449 1 1 . 1 1 89 89 TYR C C 89 176.631 176.631 175.612 1.019 18901 450 1 1 . 1 1 89 89 TYR CA C 89 58.629 58.629 58.775 -0.146 18901 451 1 1 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.909 -1.447 18901 452 1 1 . 1 1 89 89 TYR H H 89 8.533 8.533 8.746 -0.213 18901 453 1 1 . 1 1 90 90 THR N N 90 115.232 115.232 111.274 3.958 18901 454 1 1 . 1 1 90 90 THR HA H 90 3.974 3.974 4.359 -0.385 18901 455 1 1 . 1 1 90 90 THR C C 90 176.298 176.298 175.383 0.915 18901 456 1 1 . 1 1 90 90 THR CA C 90 65.610 65.610 63.187 2.423 18901 457 1 1 . 1 1 90 90 THR CB C 90 68.758 68.758 68.960 -0.202 18901 458 1 1 . 1 1 90 90 THR H H 90 8.024 8.024 8.221 -0.197 18901 459 1 1 . 1 1 91 91 THR N N 91 112.253 112.253 113.422 -1.169 18901 460 1 1 . 1 1 91 91 THR HA H 91 4.290 4.290 4.461 -0.171 18901 461 1 1 . 1 1 91 91 THR C C 91 174.644 174.644 174.174 0.470 18901 462 1 1 . 1 1 91 91 THR CA C 91 61.288 61.288 62.473 -1.185 18901 463 1 1 . 1 1 91 91 THR CB C 91 69.418 69.418 70.768 -1.350 18901 464 1 1 . 1 1 91 91 THR H H 91 8.013 8.013 8.497 -0.484 18901 465 1 1 . 1 1 92 92 LYS N N 92 121.833 121.833 120.714 1.119 18901 466 1 1 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.686 -0.227 18901 467 1 1 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.636 0.796 18901 468 1 1 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.793 -6.370 18901 469 1 1 . 1 1 92 92 LYS H H 92 7.883 7.883 8.223 -0.340 18901 470 1 1 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.752 -0.541 18901 471 1 1 . 1 1 93 93 PRO C C 93 176.775 176.775 175.571 1.204 18901 472 1 1 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.853 0.532 18901 473 1 1 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.545 0.669 18901 474 1 1 . 1 1 94 94 ALA N N 94 122.487 122.487 125.419 -2.932 18901 475 1 1 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.053 -0.188 18901 476 1 1 . 1 1 94 94 ALA C C 94 175.790 175.790 175.353 0.437 18901 477 1 1 . 1 1 94 94 ALA CA C 94 51.011 51.011 51.239 -0.228 18901 478 1 1 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.362 0.478 18901 479 1 1 . 1 1 94 94 ALA H H 94 8.072 8.072 7.773 0.299 18901 480 1 1 . 1 1 95 95 ILE N N 95 120.526 120.526 120.417 0.109 18901 481 1 1 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.451 -0.160 18901 482 1 1 . 1 1 95 95 ILE C C 95 175.063 175.063 175.764 -0.701 18901 483 1 1 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.100 -0.670 18901 484 1 1 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.448 1.208 18901 485 1 1 . 1 1 95 95 ILE H H 95 8.099 8.099 8.101 -0.002 18901 486 1 1 . 1 1 96 96 ILE N N 96 126.053 126.053 125.683 0.370 18901 487 1 1 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.801 0.153 18901 488 1 1 . 1 1 96 96 ILE C C 96 175.609 175.609 175.242 0.367 18901 489 1 1 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.697 0.593 18901 490 1 1 . 1 1 96 96 ILE CB C 96 39.899 39.899 38.166 1.733 18901 491 1 1 . 1 1 96 96 ILE H H 96 9.393 9.393 8.421 0.972 18901 492 1 1 . 1 1 97 97 PHE N N 97 120.455 120.455 124.136 -3.681 18901 493 1 1 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.707 1.310 18901 494 1 1 . 1 1 97 97 PHE C C 97 177.044 177.044 174.317 2.727 18901 495 1 1 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.968 -1.199 18901 496 1 1 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.161 1.525 18901 497 1 1 . 1 1 97 97 PHE H H 97 8.626 8.626 9.067 -0.441 18901 498 1 1 . 1 1 98 98 ARG N N 98 117.253 117.253 125.439 -8.186 18901 499 1 1 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.633 0.808 18901 500 1 1 . 1 1 98 98 ARG C C 98 176.125 176.125 175.295 0.830 18901 501 1 1 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.587 0.377 18901 502 1 1 . 1 1 98 98 ARG CB C 98 35.621 35.621 28.906 6.715 18901 503 1 1 . 1 1 98 98 ARG H H 98 9.041 9.041 8.028 1.013 18901 504 1 1 . 1 1 99 99 ILE N N 99 120.894 120.894 123.880 -2.986 18901 505 1 1 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.252 0.767 18901 506 1 1 . 1 1 99 99 ILE C C 99 174.486 174.486 174.230 0.256 18901 507 1 1 . 1 1 99 99 ILE CA C 99 60.934 60.934 61.245 -0.311 18901 508 1 1 . 1 1 99 99 ILE CB C 99 41.415 41.415 39.514 1.901 18901 509 1 1 . 1 1 99 99 ILE H H 99 8.499 8.499 7.851 0.648 18901 510 1 1 . 1 1 100 100 ALA N N 100 127.368 127.368 125.741 1.627 18901 511 1 1 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.736 0.152 18901 512 1 1 . 1 1 100 100 ALA C C 100 175.044 175.044 174.802 0.242 18901 513 1 1 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.777 0.579 18901 514 1 1 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.828 1.762 18901 515 1 1 . 1 1 100 100 ALA H H 100 8.779 8.779 8.327 0.452 18901 516 1 1 . 1 1 101 101 ALA N N 101 123.472 123.472 122.848 0.624 18901 517 1 1 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.905 2.213 18901 518 1 1 . 1 1 101 101 ALA C C 101 174.314 174.314 176.830 -2.516 18901 519 1 1 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.125 -0.557 18901 520 1 1 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.188 5.433 18901 521 1 1 . 1 1 101 101 ALA H H 101 9.955 9.955 8.436 1.519 18901 522 1 1 . 1 1 102 102 ARG N N 102 119.295 119.295 125.528 -6.233 18901 523 1 1 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.882 0.709 18901 524 1 1 . 1 1 102 102 ARG C C 102 176.649 176.649 174.675 1.974 18901 525 1 1 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.257 -0.186 18901 526 1 1 . 1 1 102 102 ARG CB C 102 33.170 33.170 28.783 4.387 18901 527 1 1 . 1 1 102 102 ARG H H 102 8.474 8.474 7.595 0.879 18901 528 1 1 . 1 1 103 103 ASN N N 103 124.198 124.198 122.182 2.016 18901 529 1 1 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.359 0.095 18901 530 1 1 . 1 1 103 103 ASN C C 103 176.327 176.327 176.223 0.104 18901 531 1 1 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.364 -0.060 18901 532 1 1 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.414 -1.755 18901 533 1 1 . 1 1 103 103 ASN H H 103 7.816 7.816 7.888 -0.072 18901 534 1 1 . 1 1 104 104 GLU N N 104 115.270 115.270 119.840 -4.570 18901 535 1 1 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.977 -0.124 18901 536 1 1 . 1 1 104 104 GLU C C 104 177.716 177.716 177.238 0.478 18901 537 1 1 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.403 0.502 18901 538 1 1 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.202 -0.038 18901 539 1 1 . 1 1 104 104 GLU H H 104 9.416 9.416 8.337 1.079 18901 540 1 1 . 1 1 105 105 LYS N N 105 116.576 116.576 116.776 -0.200 18901 541 1 1 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.105 0.157 18901 542 1 1 . 1 1 105 105 LYS C C 105 177.667 177.667 177.185 0.482 18901 543 1 1 . 1 1 105 105 LYS CA C 105 57.055 57.055 55.808 1.247 18901 544 1 1 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.638 0.413 18901 545 1 1 . 1 1 105 105 LYS H H 105 7.737 7.737 7.933 -0.196 18901 546 1 1 . 1 1 106 106 GLY N N 106 104.067 104.067 108.585 -4.518 18901 547 1 1 . 1 1 106 106 GLY C C 106 172.796 172.796 173.785 -0.989 18901 548 1 1 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.608 1.308 18901 549 1 1 . 1 1 106 106 GLY H H 106 7.906 7.906 7.775 0.131 18901 550 1 1 . 1 1 107 107 TYR N N 107 117.296 117.296 119.645 -2.349 18901 551 1 1 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.470 0.279 18901 552 1 1 . 1 1 107 107 TYR C C 107 178.772 178.772 176.038 2.734 18901 553 1 1 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.997 0.803 18901 554 1 1 . 1 1 107 107 TYR CB C 107 40.566 40.566 37.733 2.833 18901 555 1 1 . 1 1 107 107 TYR H H 107 8.378 8.378 8.199 0.179 18901 556 1 1 . 1 1 108 108 GLY N N 108 107.379 107.379 111.100 -3.721 18901 557 1 1 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.736 -0.474 18901 558 1 1 . 1 1 108 108 GLY H H 108 8.651 8.651 8.318 0.333 18901 559 1 1 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.177 -0.232 18901 560 1 1 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.283 0.588 18901 561 1 1 . 1 1 110 110 ALA C C 110 179.404 179.404 177.585 1.819 18901 562 1 1 . 1 1 110 110 ALA CA C 110 50.268 50.268 52.224 -1.956 18901 563 1 1 . 1 1 110 110 ALA CB C 110 20.115 20.115 19.868 0.247 18901 564 1 1 . 1 1 111 111 THR N N 111 118.432 118.432 115.837 2.595 18901 565 1 1 . 1 1 111 111 THR HA H 111 4.396 4.396 4.488 -0.092 18901 566 1 1 . 1 1 111 111 THR C C 111 173.449 173.449 173.522 -0.073 18901 567 1 1 . 1 1 111 111 THR CA C 111 61.721 61.721 61.964 -0.243 18901 568 1 1 . 1 1 111 111 THR CB C 111 69.967 69.967 70.742 -0.775 18901 569 1 1 . 1 1 111 111 THR H H 111 8.810 8.810 8.239 0.571 18901 570 1 1 . 1 1 112 112 GLN N N 112 127.590 127.590 127.008 0.582 18901 571 1 1 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.585 0.752 18901 572 1 1 . 1 1 112 112 GLN C C 112 175.442 175.442 174.711 0.731 18901 573 1 1 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.119 -0.316 18901 574 1 1 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.084 2.670 18901 575 1 1 . 1 1 112 112 GLN H H 112 8.698 8.698 8.696 0.002 18901 576 1 1 . 1 1 113 113 VAL N N 113 123.646 123.646 126.768 -3.122 18901 577 1 1 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.596 -0.022 18901 578 1 1 . 1 1 113 113 VAL C C 113 173.891 173.891 174.325 -0.434 18901 579 1 1 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.674 -0.390 18901 580 1 1 . 1 1 113 113 VAL CB C 113 36.064 36.064 34.886 1.178 18901 581 1 1 . 1 1 113 113 VAL H H 113 9.101 9.101 8.485 0.616 18901 582 1 1 . 1 1 114 114 ARG N N 114 122.944 122.944 123.267 -0.323 18901 583 1 1 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.374 -0.441 18901 584 1 1 . 1 1 114 114 ARG C C 114 175.683 175.683 175.516 0.167 18901 585 1 1 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.512 0.237 18901 586 1 1 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.892 0.161 18901 587 1 1 . 1 1 114 114 ARG H H 114 8.434 8.434 8.602 -0.168 18901 588 1 1 . 1 1 115 115 TRP N N 115 126.067 126.067 129.450 -3.383 18901 589 1 1 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.822 0.435 18901 590 1 1 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.588 -1.067 18901 591 1 1 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.787 1.261 18901 592 1 1 . 1 1 115 115 TRP H H 115 9.944 9.944 9.400 0.544 18901 593 1 1 . 1 1 116 116 LEU N N 116 130.031 130.031 126.268 3.763 18901 594 1 1 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.072 0.191 18901 595 1 1 . 1 1 116 116 LEU CA C 116 55.697 55.697 55.267 0.430 18901 596 1 1 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.113 -0.386 18901 597 1 1 . 1 1 116 116 LEU H H 116 8.722 8.722 7.726 0.996 18901 598 1 1 . 1 1 117 117 GLN N N 117 124.737 124.737 117.577 7.160 18901 599 1 1 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.850 0.198 18901 600 1 1 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.548 0.888 18901 601 1 1 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.313 3.355 18901 602 1 1 . 1 1 117 117 GLN H H 117 7.453 7.453 8.758 -1.305 18901 603 1 1 . 1 1 118 118 GLU N N 118 118.531 118.531 118.441 0.090 18901 604 1 1 . 1 1 118 118 GLU HA H 118 3.395 3.395 2.991 0.404 18901 605 1 1 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.745 -1.063 18901 606 1 1 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.510 -0.138 18901 607 1 1 . 1 1 118 118 GLU H H 118 7.891 7.891 7.848 0.043 18901 608 1 1 . 1 1 119 119 THR N N 119 121.831 121.831 109.724 12.107 18901 609 1 1 . 1 1 119 119 THR HA H 119 4.267 4.267 4.519 -0.252 18901 610 1 1 . 1 1 119 119 THR CA C 119 55.604 55.604 61.084 -5.480 18901 611 1 1 . 1 1 119 119 THR CB C 119 69.285 69.285 71.059 -1.774 18901 612 1 1 . 1 1 119 119 THR H H 119 7.892 7.892 7.675 0.217 18901 613 1 2 . 1 1 6 6 PHE N N 6 117.872 117.872 120.362 -2.490 18901 614 1 2 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.912 -0.122 18901 615 1 2 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.597 1.429 18901 616 1 2 . 1 1 6 6 PHE CB C 6 38.260 38.260 41.022 -2.762 18901 617 1 2 . 1 1 6 6 PHE H H 6 7.818 7.818 8.543 -0.725 18901 618 1 2 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.825 -58.639 18901 619 1 2 . 1 1 8 8 GLY N N 8 101.657 101.657 110.330 -8.673 18901 620 1 2 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.731 -0.555 18901 621 1 2 . 1 1 8 8 GLY H H 8 7.927 7.927 8.382 -0.455 18901 622 1 2 . 1 1 9 9 ALA N N 9 120.767 120.767 120.238 0.529 18901 623 1 2 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.910 -0.045 18901 624 1 2 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.983 -0.785 18901 625 1 2 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.388 -1.451 18901 626 1 2 . 1 1 9 9 ALA H H 9 8.235 8.235 8.442 -0.207 18901 627 1 2 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.842 -0.485 18901 628 1 2 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.873 0.438 18901 629 1 2 . 1 1 10 10 PRO CB C 10 32.811 32.811 31.865 0.946 18901 630 1 2 . 1 1 11 11 CYS N N 11 114.905 114.905 121.316 -6.411 18901 631 1 2 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.680 0.258 18901 632 1 2 . 1 1 11 11 CYS C C 11 172.706 172.706 174.695 -1.989 18901 633 1 2 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.692 -0.854 18901 634 1 2 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.474 0.665 18901 635 1 2 . 1 1 11 11 CYS H H 11 8.084 8.084 8.675 -0.591 18901 636 1 2 . 1 1 12 12 ALA N N 12 120.844 120.844 122.324 -1.480 18901 637 1 2 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.911 0.016 18901 638 1 2 . 1 1 12 12 ALA C C 12 176.005 176.005 176.599 -0.594 18901 639 1 2 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.219 -0.455 18901 640 1 2 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.770 -0.174 18901 641 1 2 . 1 1 12 12 ALA H H 12 8.535 8.535 8.754 -0.219 18901 642 1 2 . 1 1 13 13 ILE N N 13 116.800 116.800 117.663 -0.863 18901 643 1 2 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.071 0.382 18901 644 1 2 . 1 1 13 13 ILE C C 13 177.506 177.506 176.624 0.882 18901 645 1 2 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.456 -0.121 18901 646 1 2 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.301 -0.433 18901 647 1 2 . 1 1 13 13 ILE H H 13 7.802 7.802 7.755 0.047 18901 648 1 2 . 1 1 14 14 LYS N N 14 129.030 129.030 125.852 3.178 18901 649 1 2 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.666 -0.069 18901 650 1 2 . 1 1 14 14 LYS C C 14 175.508 175.508 174.435 1.073 18901 651 1 2 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.111 0.441 18901 652 1 2 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.116 -0.828 18901 653 1 2 . 1 1 14 14 LYS H H 14 9.249 9.249 8.289 0.960 18901 654 1 2 . 1 1 15 15 ILE N N 15 121.333 121.333 120.305 1.028 18901 655 1 2 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.765 -0.181 18901 656 1 2 . 1 1 15 15 ILE C C 15 175.983 175.983 175.759 0.224 18901 657 1 2 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.020 0.788 18901 658 1 2 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.613 -0.993 18901 659 1 2 . 1 1 15 15 ILE H H 15 8.231 8.231 8.352 -0.121 18901 660 1 2 . 1 1 16 16 SER N N 16 120.251 120.251 120.051 0.200 18901 661 1 2 . 1 1 16 16 SER HA H 16 4.933 4.933 4.984 -0.051 18901 662 1 2 . 1 1 16 16 SER C C 16 173.725 173.725 172.739 0.986 18901 663 1 2 . 1 1 16 16 SER CA C 16 56.656 56.656 57.633 -0.977 18901 664 1 2 . 1 1 16 16 SER CB C 16 65.750 65.750 66.760 -1.010 18901 665 1 2 . 1 1 16 16 SER H H 16 8.694 8.694 8.572 0.122 18901 666 1 2 . 1 1 17 17 LYS N N 17 124.155 124.155 121.674 2.481 18901 667 1 2 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.617 0.043 18901 668 1 2 . 1 1 17 17 LYS C C 17 175.815 175.815 176.552 -0.737 18901 669 1 2 . 1 1 17 17 LYS CA C 17 57.275 57.275 57.483 -0.208 18901 670 1 2 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.304 1.262 18901 671 1 2 . 1 1 17 17 LYS H H 17 8.985 8.985 8.613 0.372 18901 672 1 2 . 1 1 18 18 SER N N 18 121.663 121.663 115.080 6.583 18901 673 1 2 . 1 1 18 18 SER HA H 18 5.076 5.076 4.900 0.176 18901 674 1 2 . 1 1 18 18 SER CA C 18 56.676 56.676 56.405 0.271 18901 675 1 2 . 1 1 18 18 SER CB C 18 64.993 64.993 64.876 0.117 18901 676 1 2 . 1 1 18 18 SER H H 18 8.555 8.555 8.157 0.398 18901 677 1 2 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.474 -0.140 18901 678 1 2 . 1 1 19 19 PRO C C 19 177.406 177.406 176.869 0.537 18901 679 1 2 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.205 1.284 18901 680 1 2 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.101 -0.036 18901 681 1 2 . 1 1 20 20 ASP N N 20 110.573 110.573 119.565 -8.992 18901 682 1 2 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.607 0.072 18901 683 1 2 . 1 1 20 20 ASP C C 20 176.667 176.667 177.107 -0.440 18901 684 1 2 . 1 1 20 20 ASP CA C 20 53.558 53.558 55.459 -1.901 18901 685 1 2 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.653 -0.230 18901 686 1 2 . 1 1 20 20 ASP H H 20 8.019 8.019 8.498 -0.479 18901 687 1 2 . 1 1 21 21 GLY N N 21 107.592 107.592 104.824 2.768 18901 688 1 2 . 1 1 21 21 GLY C C 21 172.365 172.365 171.963 0.402 18901 689 1 2 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.569 1.161 18901 690 1 2 . 1 1 21 21 GLY H H 21 7.623 7.623 7.668 -0.045 18901 691 1 2 . 1 1 22 22 ALA N N 22 123.764 123.764 121.453 2.311 18901 692 1 2 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.058 -0.271 18901 693 1 2 . 1 1 22 22 ALA C C 22 175.801 175.801 175.767 0.034 18901 694 1 2 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.167 0.612 18901 695 1 2 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.144 -0.010 18901 696 1 2 . 1 1 22 22 ALA H H 22 8.704 8.704 8.307 0.397 18901 697 1 2 . 1 1 23 23 HIS N N 23 120.666 120.666 123.250 -2.584 18901 698 1 2 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.437 0.544 18901 699 1 2 . 1 1 23 23 HIS C C 23 174.199 174.199 173.839 0.360 18901 700 1 2 . 1 1 23 23 HIS CA C 23 54.267 54.267 58.565 -4.298 18901 701 1 2 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.036 -1.047 18901 702 1 2 . 1 1 23 23 HIS H H 23 9.088 9.088 8.901 0.187 18901 703 1 2 . 1 1 24 24 LEU N N 24 127.467 127.467 124.736 2.731 18901 704 1 2 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.691 0.489 18901 705 1 2 . 1 1 24 24 LEU C C 24 176.430 176.430 174.902 1.528 18901 706 1 2 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.976 1.552 18901 707 1 2 . 1 1 24 24 LEU CB C 24 44.957 44.957 46.006 -1.049 18901 708 1 2 . 1 1 24 24 LEU H H 24 8.702 8.702 7.894 0.808 18901 709 1 2 . 1 1 25 25 THR N N 25 111.459 111.459 109.592 1.867 18901 710 1 2 . 1 1 25 25 THR HA H 25 4.186 4.186 4.244 -0.058 18901 711 1 2 . 1 1 25 25 THR C C 25 172.720 172.720 172.414 0.306 18901 712 1 2 . 1 1 25 25 THR CA C 25 60.798 60.798 59.999 0.799 18901 713 1 2 . 1 1 25 25 THR CB C 25 72.021 72.021 71.096 0.926 18901 714 1 2 . 1 1 25 25 THR H H 25 8.643 8.643 7.804 0.839 18901 715 1 2 . 1 1 26 26 TRP N N 26 117.073 117.073 120.772 -3.699 18901 716 1 2 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.053 -0.020 18901 717 1 2 . 1 1 26 26 TRP C C 26 173.425 173.425 174.769 -1.344 18901 718 1 2 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.303 0.383 18901 719 1 2 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.725 -2.568 18901 720 1 2 . 1 1 26 26 TRP H H 26 7.301 7.301 8.144 -0.843 18901 721 1 2 . 1 1 27 27 GLU N N 27 115.563 115.563 118.845 -3.282 18901 722 1 2 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.834 -0.012 18901 723 1 2 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.117 -1.228 18901 724 1 2 . 1 1 27 27 GLU CB C 27 30.830 30.830 33.016 -2.186 18901 725 1 2 . 1 1 27 27 GLU H H 27 8.753 8.753 8.821 -0.068 18901 726 1 2 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.856 -0.517 18901 727 1 2 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.664 3.883 18901 728 1 2 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.692 1.449 18901 729 1 2 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.637 -0.352 18901 730 1 2 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.471 -0.491 18901 731 1 2 . 1 1 29 29 PRO CB C 29 32.884 32.884 33.719 -0.835 18901 732 1 2 . 1 1 30 30 SER N N 30 110.838 110.838 115.758 -4.920 18901 733 1 2 . 1 1 30 30 SER HA H 30 3.910 3.910 4.692 -0.782 18901 734 1 2 . 1 1 30 30 SER CA C 30 56.967 56.967 58.218 -1.251 18901 735 1 2 . 1 1 30 30 SER CB C 30 64.771 64.771 63.197 1.574 18901 736 1 2 . 1 1 30 30 SER H H 30 8.317 8.317 8.763 -0.446 18901 737 1 2 . 1 1 31 31 VAL N N 31 114.209 114.209 120.231 -6.022 18901 738 1 2 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.459 -0.251 18901 739 1 2 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.886 -1.106 18901 740 1 2 . 1 1 31 31 VAL CB C 31 32.771 32.771 33.120 -0.349 18901 741 1 2 . 1 1 31 31 VAL H H 31 8.320 8.320 7.913 0.407 18901 742 1 2 . 1 1 32 32 THR N N 32 119.600 119.600 113.675 5.925 18901 743 1 2 . 1 1 32 32 THR HA H 32 4.179 4.179 4.557 -0.378 18901 744 1 2 . 1 1 32 32 THR CA C 32 60.465 60.465 61.427 -0.962 18901 745 1 2 . 1 1 32 32 THR CB C 32 63.211 63.211 70.156 -6.945 18901 746 1 2 . 1 1 32 32 THR H H 32 7.828 7.828 7.529 0.298 18901 747 1 2 . 1 1 33 33 SER N N 33 115.967 115.967 118.757 -2.790 18901 748 1 2 . 1 1 33 33 SER HA H 33 4.179 4.179 4.413 -0.234 18901 749 1 2 . 1 1 33 33 SER C C 33 174.332 174.332 175.412 -1.080 18901 750 1 2 . 1 1 33 33 SER CA C 33 60.428 60.428 59.691 0.737 18901 751 1 2 . 1 1 33 33 SER CB C 33 62.209 62.209 63.396 -1.187 18901 752 1 2 . 1 1 33 33 SER H H 33 8.292 8.292 8.495 -0.203 18901 753 1 2 . 1 1 34 34 GLY N N 34 106.879 106.879 110.501 -3.622 18901 754 1 2 . 1 1 34 34 GLY C C 34 173.709 173.709 173.330 0.379 18901 755 1 2 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.880 -0.509 18901 756 1 2 . 1 1 34 34 GLY H H 34 7.848 7.848 8.492 -0.644 18901 757 1 2 . 1 1 35 35 LYS N N 35 122.205 122.205 120.880 1.325 18901 758 1 2 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.528 -0.218 18901 759 1 2 . 1 1 35 35 LYS C C 35 176.262 176.262 175.365 0.897 18901 760 1 2 . 1 1 35 35 LYS CA C 35 55.671 55.671 54.782 0.889 18901 761 1 2 . 1 1 35 35 LYS CB C 35 34.247 34.247 33.309 0.938 18901 762 1 2 . 1 1 35 35 LYS H H 35 8.628 8.628 8.407 0.221 18901 763 1 2 . 1 1 36 36 ILE N N 36 120.178 120.178 123.229 -3.051 18901 764 1 2 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.091 0.030 18901 765 1 2 . 1 1 36 36 ILE C C 36 177.751 177.751 177.047 0.704 18901 766 1 2 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.155 -3.234 18901 767 1 2 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.816 -3.504 18901 768 1 2 . 1 1 36 36 ILE H H 36 8.344 8.344 8.497 -0.153 18901 769 1 2 . 1 1 37 37 ILE N N 37 122.285 122.285 120.329 1.956 18901 770 1 2 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.509 -0.292 18901 771 1 2 . 1 1 37 37 ILE C C 37 176.085 176.085 176.070 0.015 18901 772 1 2 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.408 -0.466 18901 773 1 2 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.285 -0.486 18901 774 1 2 . 1 1 37 37 ILE H H 37 8.460 8.460 9.054 -0.594 18901 775 1 2 . 1 1 38 38 GLU N N 38 116.489 116.489 119.121 -2.632 18901 776 1 2 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.641 -0.472 18901 777 1 2 . 1 1 38 38 GLU C C 38 171.864 171.864 174.292 -2.428 18901 778 1 2 . 1 1 38 38 GLU CA C 38 55.976 55.976 56.419 -0.442 18901 779 1 2 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.476 1.004 18901 780 1 2 . 1 1 38 38 GLU H H 38 7.143 7.143 7.625 -0.482 18901 781 1 2 . 1 1 39 39 TYR N N 39 118.418 118.418 117.142 1.276 18901 782 1 2 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.379 0.316 18901 783 1 2 . 1 1 39 39 TYR C C 39 176.190 176.190 175.007 1.183 18901 784 1 2 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.356 -0.445 18901 785 1 2 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.469 0.267 18901 786 1 2 . 1 1 39 39 TYR H H 39 8.860 8.860 8.575 0.285 18901 787 1 2 . 1 1 40 40 SER N N 40 111.613 111.613 113.274 -1.661 18901 788 1 2 . 1 1 40 40 SER HA H 40 5.497 5.497 4.834 0.663 18901 789 1 2 . 1 1 40 40 SER C C 40 172.888 172.888 171.672 1.216 18901 790 1 2 . 1 1 40 40 SER CA C 40 58.729 58.729 57.020 1.709 18901 791 1 2 . 1 1 40 40 SER CB C 40 69.596 69.596 67.220 2.376 18901 792 1 2 . 1 1 40 40 SER H H 40 8.705 8.705 8.320 0.385 18901 793 1 2 . 1 1 41 41 VAL N N 41 119.202 119.202 119.739 -0.537 18901 794 1 2 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.294 0.542 18901 795 1 2 . 1 1 41 41 VAL C C 41 175.106 175.106 174.132 0.974 18901 796 1 2 . 1 1 41 41 VAL CA C 41 60.666 60.666 60.487 0.179 18901 797 1 2 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.364 0.327 18901 798 1 2 . 1 1 41 41 VAL H H 41 8.428 8.428 8.141 0.287 18901 799 1 2 . 1 1 42 42 TYR N N 42 124.792 124.792 124.162 0.630 18901 800 1 2 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.652 0.844 18901 801 1 2 . 1 1 42 42 TYR C C 42 174.659 174.659 173.876 0.783 18901 802 1 2 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.946 -0.186 18901 803 1 2 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.108 3.288 18901 804 1 2 . 1 1 42 42 TYR H H 42 9.773 9.773 8.830 0.943 18901 805 1 2 . 1 1 43 43 LEU N N 43 123.210 123.210 125.829 -2.619 18901 806 1 2 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.820 0.433 18901 807 1 2 . 1 1 43 43 LEU C C 43 176.296 176.296 175.931 0.365 18901 808 1 2 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.466 -0.120 18901 809 1 2 . 1 1 43 43 LEU CB C 43 48.549 48.549 44.844 3.705 18901 810 1 2 . 1 1 43 43 LEU H H 43 9.368 9.368 8.883 0.485 18901 811 1 2 . 1 1 44 44 ALA N N 44 127.556 127.556 131.640 -4.084 18901 812 1 2 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.765 -0.441 18901 813 1 2 . 1 1 44 44 ALA C C 44 178.318 178.318 177.205 1.113 18901 814 1 2 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.176 0.568 18901 815 1 2 . 1 1 44 44 ALA CB C 44 18.649 18.649 17.734 0.915 18901 816 1 2 . 1 1 44 44 ALA H H 44 8.366 8.366 8.329 0.037 18901 817 1 2 . 1 1 45 45 ILE N N 45 119.672 119.672 117.499 2.173 18901 818 1 2 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.280 0.463 18901 819 1 2 . 1 1 45 45 ILE C C 45 175.937 175.937 176.034 -0.097 18901 820 1 2 . 1 1 45 45 ILE CA C 45 60.120 60.120 60.936 -0.816 18901 821 1 2 . 1 1 45 45 ILE CB C 45 41.789 41.789 38.827 2.962 18901 822 1 2 . 1 1 45 45 ILE H H 45 8.599 8.599 7.633 0.966 18901 823 1 2 . 1 1 46 46 GLN N N 46 120.248 120.248 121.504 -1.256 18901 824 1 2 . 1 1 46 46 GLN HA H 46 4.407 4.407 3.858 0.549 18901 825 1 2 . 1 1 46 46 GLN C C 46 176.355 176.355 175.136 1.219 18901 826 1 2 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.324 -0.510 18901 827 1 2 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.025 1.815 18901 828 1 2 . 1 1 46 46 GLN H H 46 8.207 8.207 8.499 -0.292 18901 829 1 2 . 1 1 47 47 SER N N 47 117.541 117.541 119.162 -1.621 18901 830 1 2 . 1 1 47 47 SER HA H 47 4.445 4.445 4.589 -0.144 18901 831 1 2 . 1 1 47 47 SER C C 47 175.100 175.100 172.349 2.751 18901 832 1 2 . 1 1 47 47 SER CA C 47 57.957 57.957 58.483 -0.526 18901 833 1 2 . 1 1 47 47 SER CB C 47 64.188 64.188 64.466 -0.277 18901 834 1 2 . 1 1 47 47 SER H H 47 8.316 8.316 8.361 -0.045 18901 835 1 2 . 1 1 48 48 SER N N 48 116.421 116.421 116.441 -0.020 18901 836 1 2 . 1 1 48 48 SER HA H 48 4.446 4.446 4.626 -0.180 18901 837 1 2 . 1 1 48 48 SER CA C 48 58.395 58.395 58.609 -0.214 18901 838 1 2 . 1 1 48 48 SER CB C 48 63.932 63.932 63.722 0.210 18901 839 1 2 . 1 1 48 48 SER H H 48 8.096 8.096 8.345 -0.249 18901 840 1 2 . 1 1 49 49 GLN N N 49 120.755 120.755 125.327 -4.572 18901 841 1 2 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.412 -0.101 18901 842 1 2 . 1 1 49 49 GLN C C 49 176.420 176.420 174.730 1.690 18901 843 1 2 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.706 0.136 18901 844 1 2 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.056 -0.305 18901 845 1 2 . 1 1 49 49 GLN H H 49 8.308 8.308 8.037 0.271 18901 846 1 2 . 1 1 50 50 ALA N N 50 124.199 124.199 124.325 -0.126 18901 847 1 2 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.133 0.179 18901 848 1 2 . 1 1 50 50 ALA C C 50 178.375 178.375 176.127 2.248 18901 849 1 2 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.429 0.190 18901 850 1 2 . 1 1 50 50 ALA CB C 50 19.453 19.453 18.834 0.619 18901 851 1 2 . 1 1 50 50 ALA H H 50 8.219 8.219 8.293 -0.074 18901 852 1 2 . 1 1 51 51 SER N N 51 113.652 113.652 115.360 -1.708 18901 853 1 2 . 1 1 51 51 SER HA H 51 4.307 4.307 4.535 -0.228 18901 854 1 2 . 1 1 51 51 SER C C 51 175.739 175.739 172.341 3.398 18901 855 1 2 . 1 1 51 51 SER CA C 51 52.695 52.695 57.916 -5.221 18901 856 1 2 . 1 1 51 51 SER CB C 51 62.104 62.104 64.096 -1.992 18901 857 1 2 . 1 1 51 51 SER H H 51 8.148 8.148 8.593 -0.445 18901 858 1 2 . 1 1 52 52 GLY N N 52 109.442 109.442 113.348 -3.906 18901 859 1 2 . 1 1 52 52 GLY C C 52 174.511 174.511 172.566 1.945 18901 860 1 2 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.753 -0.355 18901 861 1 2 . 1 1 52 52 GLY H H 52 8.267 8.267 8.359 -0.092 18901 862 1 2 . 1 1 53 53 GLU N N 53 120.137 120.137 123.774 -3.637 18901 863 1 2 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.796 -0.243 18901 864 1 2 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.285 0.770 18901 865 1 2 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.898 -1.054 18901 866 1 2 . 1 1 53 53 GLU H H 53 7.951 7.951 8.240 -0.289 18901 867 1 2 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.536 -0.171 18901 868 1 2 . 1 1 54 54 PRO C C 54 177.830 177.830 177.965 -0.135 18901 869 1 2 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.316 1.394 18901 870 1 2 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.494 0.218 18901 871 1 2 . 1 1 55 55 LYS N N 55 119.406 119.406 120.057 -0.651 18901 872 1 2 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.076 0.189 18901 873 1 2 . 1 1 55 55 LYS C C 55 177.347 177.347 178.735 -1.388 18901 874 1 2 . 1 1 55 55 LYS CA C 55 56.697 56.697 58.508 -1.811 18901 875 1 2 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.847 1.399 18901 876 1 2 . 1 1 55 55 LYS H H 55 8.315 8.315 8.835 -0.520 18901 877 1 2 . 1 1 56 56 SER N N 56 114.624 114.624 114.406 0.218 18901 878 1 2 . 1 1 56 56 SER HA H 56 4.564 4.564 4.326 0.238 18901 879 1 2 . 1 1 56 56 SER C C 56 175.285 175.285 174.583 0.702 18901 880 1 2 . 1 1 56 56 SER CA C 56 60.090 60.090 59.600 0.490 18901 881 1 2 . 1 1 56 56 SER CB C 56 63.305 63.305 62.335 0.970 18901 882 1 2 . 1 1 56 56 SER H H 56 8.090 8.090 8.328 -0.238 18901 883 1 2 . 1 1 57 57 SER N N 57 116.016 116.016 114.609 1.407 18901 884 1 2 . 1 1 57 57 SER HA H 57 4.455 4.455 4.184 0.271 18901 885 1 2 . 1 1 57 57 SER C C 57 174.988 174.988 173.594 1.394 18901 886 1 2 . 1 1 57 57 SER CA C 57 58.332 58.332 59.639 -1.307 18901 887 1 2 . 1 1 57 57 SER CB C 57 63.876 63.876 62.374 1.502 18901 888 1 2 . 1 1 57 57 SER H H 57 8.224 8.224 7.755 0.469 18901 889 1 2 . 1 1 58 58 THR N N 58 116.090 116.090 116.006 0.084 18901 890 1 2 . 1 1 58 58 THR HA H 58 4.602 4.602 4.744 -0.142 18901 891 1 2 . 1 1 58 58 THR CA C 58 59.935 59.935 59.059 0.876 18901 892 1 2 . 1 1 58 58 THR CB C 58 69.773 69.773 70.555 -0.782 18901 893 1 2 . 1 1 58 58 THR H H 58 7.939 7.939 7.882 0.057 18901 894 1 2 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.566 -0.285 18901 895 1 2 . 1 1 59 59 PRO C C 59 177.272 177.272 175.627 1.645 18901 896 1 2 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.811 -0.735 18901 897 1 2 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.918 1.860 18901 898 1 2 . 1 1 60 60 ALA N N 60 122.319 122.319 128.127 -5.808 18901 899 1 2 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.346 -0.127 18901 900 1 2 . 1 1 60 60 ALA C C 60 178.277 178.277 175.793 2.484 18901 901 1 2 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.178 0.322 18901 902 1 2 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.222 -0.763 18901 903 1 2 . 1 1 60 60 ALA H H 60 8.156 8.156 8.034 0.122 18901 904 1 2 . 1 1 61 61 GLN N N 61 117.680 117.680 120.950 -3.270 18901 905 1 2 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.450 -0.172 18901 906 1 2 . 1 1 61 61 GLN C C 61 176.148 176.148 175.485 0.663 18901 907 1 2 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.384 0.141 18901 908 1 2 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.794 0.250 18901 909 1 2 . 1 1 61 61 GLN H H 61 8.016 8.016 8.292 -0.276 18901 910 1 2 . 1 1 62 62 LEU N N 62 121.805 121.805 122.927 -1.122 18901 911 1 2 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.609 -0.480 18901 912 1 2 . 1 1 62 62 LEU C C 62 176.202 176.202 175.238 0.964 18901 913 1 2 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.620 0.954 18901 914 1 2 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.198 0.092 18901 915 1 2 . 1 1 62 62 LEU H H 62 7.968 7.968 8.543 -0.575 18901 916 1 2 . 1 1 63 63 ALA N N 63 124.947 124.947 121.153 3.794 18901 917 1 2 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.585 -0.089 18901 918 1 2 . 1 1 63 63 ALA C C 63 176.252 176.252 175.585 0.667 18901 919 1 2 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.933 -1.135 18901 920 1 2 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.373 0.273 18901 921 1 2 . 1 1 63 63 ALA H H 63 8.434 8.434 7.467 0.967 18901 922 1 2 . 1 1 64 64 PHE N N 64 117.099 117.099 119.718 -2.619 18901 923 1 2 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.246 -0.162 18901 924 1 2 . 1 1 64 64 PHE C C 64 176.403 176.403 175.308 1.095 18901 925 1 2 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.490 1.243 18901 926 1 2 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.668 0.142 18901 927 1 2 . 1 1 64 64 PHE H H 64 8.446 8.446 8.470 -0.024 18901 928 1 2 . 1 1 65 65 MET N N 65 120.470 120.470 119.547 0.923 18901 929 1 2 . 1 1 65 65 MET HA H 65 4.902 4.902 4.584 0.318 18901 930 1 2 . 1 1 65 65 MET CA C 65 53.984 53.984 55.383 -1.399 18901 931 1 2 . 1 1 65 65 MET CB C 65 36.825 36.825 33.708 3.117 18901 932 1 2 . 1 1 65 65 MET H H 65 9.050 9.050 8.748 0.302 18901 933 1 2 . 1 1 66 66 ARG N N 66 120.685 120.685 120.249 0.436 18901 934 1 2 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.292 -0.149 18901 935 1 2 . 1 1 66 66 ARG C C 66 176.916 176.916 176.361 0.555 18901 936 1 2 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.798 1.164 18901 937 1 2 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.505 2.567 18901 938 1 2 . 1 1 66 66 ARG H H 66 7.540 7.540 8.344 -0.804 18901 939 1 2 . 1 1 67 67 VAL N N 67 117.677 117.677 113.440 4.237 18901 940 1 2 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.991 0.723 18901 941 1 2 . 1 1 67 67 VAL C C 67 175.777 175.777 175.452 0.325 18901 942 1 2 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.726 -2.807 18901 943 1 2 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.176 1.238 18901 944 1 2 . 1 1 67 67 VAL H H 67 8.859 8.859 8.074 0.785 18901 945 1 2 . 1 1 68 68 TYR N N 68 120.707 120.707 121.708 -1.001 18901 946 1 2 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.723 0.054 18901 947 1 2 . 1 1 68 68 TYR C C 68 173.712 173.712 174.037 -0.325 18901 948 1 2 . 1 1 68 68 TYR CA C 68 58.305 58.305 57.670 0.634 18901 949 1 2 . 1 1 68 68 TYR CB C 68 43.056 43.056 39.647 3.409 18901 950 1 2 . 1 1 68 68 TYR H H 68 7.539 7.539 7.361 0.178 18901 951 1 2 . 1 1 69 69 CYS N N 69 127.927 127.927 126.942 0.985 18901 952 1 2 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.599 0.470 18901 953 1 2 . 1 1 69 69 CYS C C 69 174.094 174.094 173.089 1.005 18901 954 1 2 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.119 -0.929 18901 955 1 2 . 1 1 69 69 CYS CB C 69 27.990 27.990 30.436 -2.446 18901 956 1 2 . 1 1 69 69 CYS H H 69 7.601 7.601 8.269 -0.668 18901 957 1 2 . 1 1 70 70 GLY N N 70 114.822 114.822 111.882 2.940 18901 958 1 2 . 1 1 70 70 GLY CA C 70 46.146 46.146 45.014 1.132 18901 959 1 2 . 1 1 70 70 GLY H H 70 8.336 8.336 8.239 0.097 18901 960 1 2 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.613 -0.065 18901 961 1 2 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.203 0.461 18901 962 1 2 . 1 1 72 72 SER N N 72 112.451 112.451 116.665 -4.214 18901 963 1 2 . 1 1 72 72 SER HA H 72 4.850 4.850 4.756 0.094 18901 964 1 2 . 1 1 72 72 SER CA C 72 56.874 56.874 56.782 0.092 18901 965 1 2 . 1 1 72 72 SER CB C 72 63.248 63.248 63.938 -0.689 18901 966 1 2 . 1 1 72 72 SER H H 72 7.327 7.327 8.098 -0.771 18901 967 1 2 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.693 -0.500 18901 968 1 2 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.312 0.243 18901 969 1 2 . 1 1 73 73 PRO CB C 73 32.236 32.236 29.792 2.444 18901 970 1 2 . 1 1 74 74 SER N N 74 111.450 111.450 113.540 -2.090 18901 971 1 2 . 1 1 74 74 SER HA H 74 3.907 3.907 4.723 -0.816 18901 972 1 2 . 1 1 74 74 SER CA C 74 56.710 56.710 58.188 -1.478 18901 973 1 2 . 1 1 74 74 SER CB C 74 64.647 64.647 64.217 0.430 18901 974 1 2 . 1 1 74 74 SER H H 74 6.909 6.909 8.481 -1.572 18901 975 1 2 . 1 1 75 75 CYS N N 75 124.103 124.103 120.805 3.298 18901 976 1 2 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.564 -1.005 18901 977 1 2 . 1 1 75 75 CYS C C 75 171.568 171.568 175.041 -3.473 18901 978 1 2 . 1 1 75 75 CYS CA C 75 62.200 62.200 59.355 2.845 18901 979 1 2 . 1 1 75 75 CYS CB C 75 26.251 26.251 29.226 -2.975 18901 980 1 2 . 1 1 75 75 CYS H H 75 6.017 6.017 7.858 -1.841 18901 981 1 2 . 1 1 76 76 LEU N N 76 121.191 121.191 122.185 -0.994 18901 982 1 2 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.443 0.380 18901 983 1 2 . 1 1 76 76 LEU C C 76 176.786 176.786 176.000 0.786 18901 984 1 2 . 1 1 76 76 LEU CA C 76 53.365 53.365 55.431 -2.066 18901 985 1 2 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.923 1.303 18901 986 1 2 . 1 1 76 76 LEU H H 76 8.015 8.015 8.074 -0.059 18901 987 1 2 . 1 1 77 77 VAL N N 77 126.347 126.347 122.186 4.161 18901 988 1 2 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.428 -0.176 18901 989 1 2 . 1 1 77 77 VAL C C 77 175.529 175.529 175.052 0.477 18901 990 1 2 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.187 0.464 18901 991 1 2 . 1 1 77 77 VAL CB C 77 32.676 32.676 34.258 -1.581 18901 992 1 2 . 1 1 77 77 VAL H H 77 9.084 9.084 8.616 0.468 18901 993 1 2 . 1 1 78 78 GLN N N 78 124.566 124.566 125.518 -0.952 18901 994 1 2 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.293 0.222 18901 995 1 2 . 1 1 78 78 GLN C C 78 178.805 178.805 177.686 1.119 18901 996 1 2 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.634 0.282 18901 997 1 2 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.328 1.070 18901 998 1 2 . 1 1 78 78 GLN H H 78 8.908 8.908 8.792 0.116 18901 999 1 2 . 1 1 79 79 SER N N 79 116.974 116.974 118.003 -1.029 18901 1000 1 2 . 1 1 79 79 SER HA H 79 4.087 4.087 4.096 -0.009 18901 1001 1 2 . 1 1 79 79 SER C C 79 177.179 177.179 175.834 1.345 18901 1002 1 2 . 1 1 79 79 SER CA C 79 62.454 62.454 61.667 0.787 18901 1003 1 2 . 1 1 79 79 SER CB C 79 62.787 62.787 62.865 -0.078 18901 1004 1 2 . 1 1 79 79 SER H H 79 8.458 8.458 9.113 -0.655 18901 1005 1 2 . 1 1 80 80 SER N N 80 114.734 114.734 115.071 -0.337 18901 1006 1 2 . 1 1 80 80 SER HA H 80 4.211 4.211 4.334 -0.123 18901 1007 1 2 . 1 1 80 80 SER C C 80 177.853 177.853 175.285 2.568 18901 1008 1 2 . 1 1 80 80 SER CA C 80 61.190 61.190 60.412 0.778 18901 1009 1 2 . 1 1 80 80 SER CB C 80 62.358 62.358 62.913 -0.554 18901 1010 1 2 . 1 1 80 80 SER H H 80 8.537 8.537 8.762 -0.225 18901 1011 1 2 . 1 1 81 81 SER N N 81 117.137 117.137 114.079 3.058 18901 1012 1 2 . 1 1 81 81 SER HA H 81 4.455 4.455 4.731 -0.276 18901 1013 1 2 . 1 1 81 81 SER C C 81 175.702 175.702 174.352 1.350 18901 1014 1 2 . 1 1 81 81 SER CA C 81 61.433 61.433 58.605 2.828 18901 1015 1 2 . 1 1 81 81 SER CB C 81 63.130 63.130 64.536 -1.406 18901 1016 1 2 . 1 1 81 81 SER H H 81 7.514 7.514 7.903 -0.389 18901 1017 1 2 . 1 1 82 82 LEU N N 82 117.548 117.548 119.793 -2.245 18901 1018 1 2 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.538 -0.505 18901 1019 1 2 . 1 1 82 82 LEU C C 82 179.445 179.445 178.291 1.154 18901 1020 1 2 . 1 1 82 82 LEU CA C 82 56.702 56.702 55.276 1.426 18901 1021 1 2 . 1 1 82 82 LEU CB C 82 41.788 41.788 43.037 -1.249 18901 1022 1 2 . 1 1 82 82 LEU H H 82 7.629 7.629 7.975 -0.346 18901 1023 1 2 . 1 1 83 83 SER N N 83 113.258 113.258 117.513 -4.255 18901 1024 1 2 . 1 1 83 83 SER HA H 83 4.214 4.214 4.222 -0.008 18901 1025 1 2 . 1 1 83 83 SER C C 83 175.256 175.256 175.317 -0.061 18901 1026 1 2 . 1 1 83 83 SER CA C 83 61.192 61.192 61.782 -0.591 18901 1027 1 2 . 1 1 83 83 SER CB C 83 63.544 63.544 63.540 0.004 18901 1028 1 2 . 1 1 83 83 SER H H 83 7.805 7.805 8.292 -0.487 18901 1029 1 2 . 1 1 84 84 ASN N N 84 116.565 116.565 117.868 -1.303 18901 1030 1 2 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.793 0.129 18901 1031 1 2 . 1 1 84 84 ASN C C 84 175.063 175.063 174.110 0.953 18901 1032 1 2 . 1 1 84 84 ASN CA C 84 52.672 52.672 52.979 -0.307 18901 1033 1 2 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.377 1.314 18901 1034 1 2 . 1 1 84 84 ASN H H 84 7.612 7.612 8.680 -1.068 18901 1035 1 2 . 1 1 85 85 ALA N N 85 119.819 119.819 121.800 -1.981 18901 1036 1 2 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.214 0.035 18901 1037 1 2 . 1 1 85 85 ALA C C 85 178.113 178.113 176.869 1.244 18901 1038 1 2 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.877 0.188 18901 1039 1 2 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.766 0.054 18901 1040 1 2 . 1 1 85 85 ALA H H 85 7.558 7.558 7.065 0.493 18901 1041 1 2 . 1 1 86 86 HIS N N 86 118.388 118.388 119.475 -1.087 18901 1042 1 2 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.772 -0.367 18901 1043 1 2 . 1 1 86 86 HIS C C 86 175.333 175.333 174.359 0.974 18901 1044 1 2 . 1 1 86 86 HIS CA C 86 55.619 55.619 54.946 0.673 18901 1045 1 2 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.510 -2.312 18901 1046 1 2 . 1 1 86 86 HIS H H 86 8.280 8.280 8.560 -0.280 18901 1047 1 2 . 1 1 87 87 ILE N N 87 126.618 126.618 126.036 0.582 18901 1048 1 2 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.194 -0.139 18901 1049 1 2 . 1 1 87 87 ILE C C 87 174.718 174.718 176.145 -1.427 18901 1050 1 2 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.518 -0.091 18901 1051 1 2 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.626 -0.184 18901 1052 1 2 . 1 1 87 87 ILE H H 87 7.873 7.873 8.224 -0.351 18901 1053 1 2 . 1 1 88 88 ASP N N 88 124.684 124.684 126.056 -1.372 18901 1054 1 2 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.438 0.074 18901 1055 1 2 . 1 1 88 88 ASP C C 88 176.506 176.506 175.329 1.177 18901 1056 1 2 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.841 -1.604 18901 1057 1 2 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.662 2.099 18901 1058 1 2 . 1 1 88 88 ASP H H 88 8.572 8.572 8.562 0.010 18901 1059 1 2 . 1 1 89 89 TYR N N 89 122.959 122.959 125.833 -2.874 18901 1060 1 2 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.747 -0.368 18901 1061 1 2 . 1 1 89 89 TYR C C 89 176.631 176.631 175.881 0.750 18901 1062 1 2 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.064 1.565 18901 1063 1 2 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.338 0.124 18901 1064 1 2 . 1 1 89 89 TYR H H 89 8.533 8.533 8.642 -0.109 18901 1065 1 2 . 1 1 90 90 THR N N 90 115.232 115.232 113.878 1.354 18901 1066 1 2 . 1 1 90 90 THR HA H 90 3.974 3.974 4.582 -0.608 18901 1067 1 2 . 1 1 90 90 THR C C 90 176.298 176.298 175.262 1.036 18901 1068 1 2 . 1 1 90 90 THR CA C 90 65.610 65.610 62.469 3.141 18901 1069 1 2 . 1 1 90 90 THR CB C 90 68.758 68.758 70.706 -1.948 18901 1070 1 2 . 1 1 90 90 THR H H 90 8.024 8.024 9.119 -1.095 18901 1071 1 2 . 1 1 91 91 THR N N 91 112.253 112.253 115.272 -3.019 18901 1072 1 2 . 1 1 91 91 THR HA H 91 4.290 4.290 4.435 -0.145 18901 1073 1 2 . 1 1 91 91 THR C C 91 174.644 174.644 173.137 1.507 18901 1074 1 2 . 1 1 91 91 THR CA C 91 61.288 61.288 63.323 -2.035 18901 1075 1 2 . 1 1 91 91 THR CB C 91 69.418 69.418 71.164 -1.746 18901 1076 1 2 . 1 1 91 91 THR H H 91 8.013 8.013 8.610 -0.597 18901 1077 1 2 . 1 1 92 92 LYS N N 92 121.833 121.833 121.295 0.538 18901 1078 1 2 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.708 -0.249 18901 1079 1 2 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.607 0.825 18901 1080 1 2 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.791 -6.368 18901 1081 1 2 . 1 1 92 92 LYS H H 92 7.883 7.883 7.853 0.030 18901 1082 1 2 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.608 -0.397 18901 1083 1 2 . 1 1 93 93 PRO C C 93 176.775 176.775 175.477 1.298 18901 1084 1 2 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.974 0.411 18901 1085 1 2 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.037 1.177 18901 1086 1 2 . 1 1 94 94 ALA N N 94 122.487 122.487 126.062 -3.575 18901 1087 1 2 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.011 -0.146 18901 1088 1 2 . 1 1 94 94 ALA C C 94 175.790 175.790 175.689 0.101 18901 1089 1 2 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.460 0.551 18901 1090 1 2 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.774 0.066 18901 1091 1 2 . 1 1 94 94 ALA H H 94 8.072 8.072 7.786 0.286 18901 1092 1 2 . 1 1 95 95 ILE N N 95 120.526 120.526 122.030 -1.504 18901 1093 1 2 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.185 0.106 18901 1094 1 2 . 1 1 95 95 ILE C C 95 175.063 175.063 174.803 0.260 18901 1095 1 2 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.563 -1.133 18901 1096 1 2 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.166 1.490 18901 1097 1 2 . 1 1 95 95 ILE H H 95 8.099 8.099 8.518 -0.419 18901 1098 1 2 . 1 1 96 96 ILE N N 96 126.053 126.053 128.443 -2.390 18901 1099 1 2 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.672 0.282 18901 1100 1 2 . 1 1 96 96 ILE C C 96 175.609 175.609 175.401 0.208 18901 1101 1 2 . 1 1 96 96 ILE CA C 96 60.290 60.290 58.520 1.770 18901 1102 1 2 . 1 1 96 96 ILE CB C 96 39.899 39.899 36.369 3.530 18901 1103 1 2 . 1 1 96 96 ILE H H 96 9.393 9.393 8.597 0.796 18901 1104 1 2 . 1 1 97 97 PHE N N 97 120.455 120.455 127.915 -7.460 18901 1105 1 2 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.650 1.367 18901 1106 1 2 . 1 1 97 97 PHE C C 97 177.044 177.044 175.637 1.407 18901 1107 1 2 . 1 1 97 97 PHE CA C 97 55.769 55.769 58.217 -2.448 18901 1108 1 2 . 1 1 97 97 PHE CB C 97 43.686 43.686 40.322 3.364 18901 1109 1 2 . 1 1 97 97 PHE H H 97 8.626 8.626 9.161 -0.535 18901 1110 1 2 . 1 1 98 98 ARG N N 98 117.253 117.253 120.363 -3.110 18901 1111 1 2 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.042 0.399 18901 1112 1 2 . 1 1 98 98 ARG C C 98 176.125 176.125 174.808 1.317 18901 1113 1 2 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.641 -0.678 18901 1114 1 2 . 1 1 98 98 ARG CB C 98 35.621 35.621 32.885 2.736 18901 1115 1 2 . 1 1 98 98 ARG H H 98 9.041 9.041 8.581 0.460 18901 1116 1 2 . 1 1 99 99 ILE N N 99 120.894 120.894 123.042 -2.148 18901 1117 1 2 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.880 0.139 18901 1118 1 2 . 1 1 99 99 ILE C C 99 174.486 174.486 174.073 0.413 18901 1119 1 2 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.757 1.177 18901 1120 1 2 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.340 -0.925 18901 1121 1 2 . 1 1 99 99 ILE H H 99 8.499 8.499 8.986 -0.487 18901 1122 1 2 . 1 1 100 100 ALA N N 100 127.368 127.368 126.771 0.597 18901 1123 1 2 . 1 1 100 100 ALA HA H 100 4.888 4.888 5.054 -0.166 18901 1124 1 2 . 1 1 100 100 ALA C C 100 175.044 175.044 175.268 -0.224 18901 1125 1 2 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.114 1.242 18901 1126 1 2 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.383 1.207 18901 1127 1 2 . 1 1 100 100 ALA H H 100 8.779 8.779 8.491 0.288 18901 1128 1 2 . 1 1 101 101 ALA N N 101 123.472 123.472 122.716 0.756 18901 1129 1 2 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.136 1.982 18901 1130 1 2 . 1 1 101 101 ALA C C 101 174.314 174.314 177.049 -2.735 18901 1131 1 2 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.038 -0.471 18901 1132 1 2 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.918 5.703 18901 1133 1 2 . 1 1 101 101 ALA H H 101 9.955 9.955 8.560 1.395 18901 1134 1 2 . 1 1 102 102 ARG N N 102 119.295 119.295 125.353 -6.058 18901 1135 1 2 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.797 0.794 18901 1136 1 2 . 1 1 102 102 ARG C C 102 176.649 176.649 174.790 1.859 18901 1137 1 2 . 1 1 102 102 ARG CA C 102 54.071 54.071 55.398 -1.327 18901 1138 1 2 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.510 3.660 18901 1139 1 2 . 1 1 102 102 ARG H H 102 8.474 8.474 8.174 0.300 18901 1140 1 2 . 1 1 103 103 ASN N N 103 124.198 124.198 122.596 1.602 18901 1141 1 2 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.212 0.242 18901 1142 1 2 . 1 1 103 103 ASN C C 103 176.327 176.327 175.154 1.173 18901 1143 1 2 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.102 0.202 18901 1144 1 2 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.907 -1.248 18901 1145 1 2 . 1 1 103 103 ASN H H 103 7.816 7.816 7.960 -0.144 18901 1146 1 2 . 1 1 104 104 GLU N N 104 115.270 115.270 118.671 -3.401 18901 1147 1 2 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.990 -0.137 18901 1148 1 2 . 1 1 104 104 GLU C C 104 177.716 177.716 177.380 0.336 18901 1149 1 2 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.773 1.132 18901 1150 1 2 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.353 -0.189 18901 1151 1 2 . 1 1 104 104 GLU H H 104 9.416 9.416 8.535 0.881 18901 1152 1 2 . 1 1 105 105 LYS N N 105 116.576 116.576 117.420 -0.844 18901 1153 1 2 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.216 0.046 18901 1154 1 2 . 1 1 105 105 LYS C C 105 177.667 177.667 176.821 0.846 18901 1155 1 2 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.957 0.098 18901 1156 1 2 . 1 1 105 105 LYS CB C 105 33.051 33.051 33.418 -0.367 18901 1157 1 2 . 1 1 105 105 LYS H H 105 7.737 7.737 7.604 0.133 18901 1158 1 2 . 1 1 106 106 GLY N N 106 104.067 104.067 104.585 -0.518 18901 1159 1 2 . 1 1 106 106 GLY C C 106 172.796 172.796 172.429 0.367 18901 1160 1 2 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.686 1.230 18901 1161 1 2 . 1 1 106 106 GLY H H 106 7.906 7.906 8.322 -0.416 18901 1162 1 2 . 1 1 107 107 TYR N N 107 117.296 117.296 119.153 -1.857 18901 1163 1 2 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.591 0.158 18901 1164 1 2 . 1 1 107 107 TYR C C 107 178.772 178.772 175.761 3.011 18901 1165 1 2 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.749 1.051 18901 1166 1 2 . 1 1 107 107 TYR CB C 107 40.566 40.566 38.931 1.635 18901 1167 1 2 . 1 1 107 107 TYR H H 107 8.378 8.378 8.345 0.033 18901 1168 1 2 . 1 1 108 108 GLY N N 108 107.379 107.379 109.885 -2.506 18901 1169 1 2 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.394 -1.131 18901 1170 1 2 . 1 1 108 108 GLY H H 108 8.651 8.651 8.336 0.315 18901 1171 1 2 . 1 1 109 109 PRO CA C 109 61.945 61.945 61.977 -0.032 18901 1172 1 2 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.607 0.264 18901 1173 1 2 . 1 1 110 110 ALA C C 110 179.404 179.404 177.583 1.821 18901 1174 1 2 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.861 -1.593 18901 1175 1 2 . 1 1 110 110 ALA CB C 110 20.115 20.115 19.270 0.845 18901 1176 1 2 . 1 1 111 111 THR N N 111 118.432 118.432 122.143 -3.711 18901 1177 1 2 . 1 1 111 111 THR HA H 111 4.396 4.396 4.329 0.067 18901 1178 1 2 . 1 1 111 111 THR C C 111 173.449 173.449 174.233 -0.784 18901 1179 1 2 . 1 1 111 111 THR CA C 111 61.721 61.721 62.581 -0.860 18901 1180 1 2 . 1 1 111 111 THR CB C 111 69.967 69.967 69.312 0.655 18901 1181 1 2 . 1 1 111 111 THR H H 111 8.810 8.810 8.686 0.124 18901 1182 1 2 . 1 1 112 112 GLN N N 112 127.590 127.590 127.103 0.487 18901 1183 1 2 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.870 0.467 18901 1184 1 2 . 1 1 112 112 GLN C C 112 175.442 175.442 174.682 0.760 18901 1185 1 2 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.707 -0.904 18901 1186 1 2 . 1 1 112 112 GLN CB C 112 31.753 31.753 30.044 1.709 18901 1187 1 2 . 1 1 112 112 GLN H H 112 8.698 8.698 8.782 -0.084 18901 1188 1 2 . 1 1 113 113 VAL N N 113 123.646 123.646 121.399 2.247 18901 1189 1 2 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.591 -0.017 18901 1190 1 2 . 1 1 113 113 VAL C C 113 173.891 173.891 174.057 -0.166 18901 1191 1 2 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.164 -0.880 18901 1192 1 2 . 1 1 113 113 VAL CB C 113 36.064 36.064 36.780 -0.716 18901 1193 1 2 . 1 1 113 113 VAL H H 113 9.101 9.101 9.100 0.001 18901 1194 1 2 . 1 1 114 114 ARG N N 114 122.944 122.944 123.503 -0.559 18901 1195 1 2 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.633 -0.700 18901 1196 1 2 . 1 1 114 114 ARG C C 114 175.683 175.683 174.846 0.837 18901 1197 1 2 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.387 0.362 18901 1198 1 2 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.390 -1.337 18901 1199 1 2 . 1 1 114 114 ARG H H 114 8.434 8.434 8.448 -0.014 18901 1200 1 2 . 1 1 115 115 TRP N N 115 126.067 126.067 124.578 1.489 18901 1201 1 2 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.051 0.206 18901 1202 1 2 . 1 1 115 115 TRP CA C 115 54.521 54.521 57.098 -2.577 18901 1203 1 2 . 1 1 115 115 TRP CB C 115 30.048 30.048 32.667 -2.619 18901 1204 1 2 . 1 1 115 115 TRP H H 115 9.944 9.944 8.905 1.039 18901 1205 1 2 . 1 1 116 116 LEU N N 116 130.031 130.031 126.937 3.094 18901 1206 1 2 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.625 -0.362 18901 1207 1 2 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.683 1.014 18901 1208 1 2 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.468 0.259 18901 1209 1 2 . 1 1 116 116 LEU H H 116 8.722 8.722 8.281 0.441 18901 1210 1 2 . 1 1 117 117 GLN N N 117 124.737 124.737 115.882 8.855 18901 1211 1 2 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.893 0.155 18901 1212 1 2 . 1 1 117 117 GLN CA C 117 57.436 57.436 54.763 2.673 18901 1213 1 2 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.059 4.609 18901 1214 1 2 . 1 1 117 117 GLN H H 117 7.453 7.453 7.124 0.329 18901 1215 1 2 . 1 1 118 118 GLU N N 118 118.531 118.531 116.661 1.870 18901 1216 1 2 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.231 -0.836 18901 1217 1 2 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.742 -1.060 18901 1218 1 2 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.503 0.869 18901 1219 1 2 . 1 1 118 118 GLU H H 118 7.891 7.891 7.689 0.202 18901 1220 1 2 . 1 1 119 119 THR N N 119 121.831 121.831 115.568 6.263 18901 1221 1 2 . 1 1 119 119 THR HA H 119 4.267 4.267 4.208 0.059 18901 1222 1 2 . 1 1 119 119 THR CA C 119 55.604 55.604 64.110 -8.506 18901 1223 1 2 . 1 1 119 119 THR CB C 119 69.285 69.285 69.082 0.203 18901 1224 1 2 . 1 1 119 119 THR H H 119 7.892 7.892 7.970 -0.078 18901 1225 1 3 . 1 1 6 6 PHE N N 6 117.872 117.872 120.309 -2.437 18901 1226 1 3 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.891 -0.101 18901 1227 1 3 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.546 1.480 18901 1228 1 3 . 1 1 6 6 PHE CB C 6 38.260 38.260 41.813 -3.553 18901 1229 1 3 . 1 1 6 6 PHE H H 6 7.818 7.818 8.555 -0.737 18901 1230 1 3 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.152 -58.966 18901 1231 1 3 . 1 1 8 8 GLY N N 8 101.657 101.657 111.307 -9.650 18901 1232 1 3 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.935 -0.759 18901 1233 1 3 . 1 1 8 8 GLY H H 8 7.927 7.927 8.479 -0.552 18901 1234 1 3 . 1 1 9 9 ALA N N 9 120.767 120.767 120.215 0.552 18901 1235 1 3 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.675 0.190 18901 1236 1 3 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.303 -1.105 18901 1237 1 3 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.265 -1.327 18901 1238 1 3 . 1 1 9 9 ALA H H 9 8.235 8.235 8.130 0.105 18901 1239 1 3 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.760 -0.403 18901 1240 1 3 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.984 0.328 18901 1241 1 3 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.021 0.790 18901 1242 1 3 . 1 1 11 11 CYS N N 11 114.905 114.905 118.657 -3.752 18901 1243 1 3 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.612 0.326 18901 1244 1 3 . 1 1 11 11 CYS C C 11 172.706 172.706 174.657 -1.951 18901 1245 1 3 . 1 1 11 11 CYS CA C 11 56.838 56.838 58.046 -1.208 18901 1246 1 3 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.237 0.902 18901 1247 1 3 . 1 1 11 11 CYS H H 11 8.084 8.084 8.221 -0.137 18901 1248 1 3 . 1 1 12 12 ALA N N 12 120.844 120.844 122.215 -1.371 18901 1249 1 3 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.088 -0.161 18901 1250 1 3 . 1 1 12 12 ALA C C 12 176.005 176.005 176.865 -0.860 18901 1251 1 3 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.640 -0.876 18901 1252 1 3 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.421 0.176 18901 1253 1 3 . 1 1 12 12 ALA H H 12 8.535 8.535 8.667 -0.132 18901 1254 1 3 . 1 1 13 13 ILE N N 13 116.800 116.800 118.809 -2.009 18901 1255 1 3 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.129 0.324 18901 1256 1 3 . 1 1 13 13 ILE C C 13 177.506 177.506 176.118 1.388 18901 1257 1 3 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.442 -0.107 18901 1258 1 3 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.177 -0.309 18901 1259 1 3 . 1 1 13 13 ILE H H 13 7.802 7.802 7.757 0.045 18901 1260 1 3 . 1 1 14 14 LYS N N 14 129.030 129.030 129.653 -0.623 18901 1261 1 3 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.441 0.156 18901 1262 1 3 . 1 1 14 14 LYS C C 14 175.508 175.508 175.301 0.207 18901 1263 1 3 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.906 -0.354 18901 1264 1 3 . 1 1 14 14 LYS CB C 14 35.288 35.288 33.240 2.048 18901 1265 1 3 . 1 1 14 14 LYS H H 14 9.249 9.249 8.268 0.981 18901 1266 1 3 . 1 1 15 15 ILE N N 15 121.333 121.333 122.270 -0.937 18901 1267 1 3 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.083 0.501 18901 1268 1 3 . 1 1 15 15 ILE C C 15 175.983 175.983 174.447 1.536 18901 1269 1 3 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.324 0.484 18901 1270 1 3 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.671 -0.051 18901 1271 1 3 . 1 1 15 15 ILE H H 15 8.231 8.231 8.391 -0.160 18901 1272 1 3 . 1 1 16 16 SER N N 16 120.251 120.251 119.945 0.306 18901 1273 1 3 . 1 1 16 16 SER HA H 16 4.933 4.933 5.429 -0.496 18901 1274 1 3 . 1 1 16 16 SER C C 16 173.725 173.725 173.433 0.292 18901 1275 1 3 . 1 1 16 16 SER CA C 16 56.656 56.656 57.009 -0.353 18901 1276 1 3 . 1 1 16 16 SER CB C 16 65.750 65.750 66.269 -0.519 18901 1277 1 3 . 1 1 16 16 SER H H 16 8.694 8.694 7.933 0.761 18901 1278 1 3 . 1 1 17 17 LYS N N 17 124.155 124.155 121.565 2.590 18901 1279 1 3 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.689 -0.029 18901 1280 1 3 . 1 1 17 17 LYS C C 17 175.815 175.815 175.611 0.204 18901 1281 1 3 . 1 1 17 17 LYS CA C 17 57.275 57.275 55.105 2.170 18901 1282 1 3 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.871 0.695 18901 1283 1 3 . 1 1 17 17 LYS H H 17 8.985 8.985 8.558 0.427 18901 1284 1 3 . 1 1 18 18 SER N N 18 121.663 121.663 116.386 5.277 18901 1285 1 3 . 1 1 18 18 SER HA H 18 5.076 5.076 5.038 0.038 18901 1286 1 3 . 1 1 18 18 SER CA C 18 56.676 56.676 54.082 2.594 18901 1287 1 3 . 1 1 18 18 SER CB C 18 64.993 64.993 64.557 0.436 18901 1288 1 3 . 1 1 18 18 SER H H 18 8.555 8.555 8.142 0.413 18901 1289 1 3 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.308 0.026 18901 1290 1 3 . 1 1 19 19 PRO C C 19 177.406 177.406 177.702 -0.296 18901 1291 1 3 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.171 0.318 18901 1292 1 3 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.863 0.202 18901 1293 1 3 . 1 1 20 20 ASP N N 20 110.573 110.573 118.943 -8.370 18901 1294 1 3 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.558 0.121 18901 1295 1 3 . 1 1 20 20 ASP C C 20 176.667 176.667 176.133 0.534 18901 1296 1 3 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.455 0.103 18901 1297 1 3 . 1 1 20 20 ASP CB C 20 41.423 41.423 40.417 1.006 18901 1298 1 3 . 1 1 20 20 ASP H H 20 8.019 8.019 8.002 0.017 18901 1299 1 3 . 1 1 21 21 GLY N N 21 107.592 107.592 107.325 0.267 18901 1300 1 3 . 1 1 21 21 GLY C C 21 172.365 172.365 172.838 -0.473 18901 1301 1 3 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.790 0.940 18901 1302 1 3 . 1 1 21 21 GLY H H 21 7.623 7.623 7.646 -0.023 18901 1303 1 3 . 1 1 22 22 ALA N N 22 123.764 123.764 125.284 -1.520 18901 1304 1 3 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.832 -0.045 18901 1305 1 3 . 1 1 22 22 ALA C C 22 175.801 175.801 174.647 1.154 18901 1306 1 3 . 1 1 22 22 ALA CA C 22 50.779 50.779 51.045 -0.266 18901 1307 1 3 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.858 0.276 18901 1308 1 3 . 1 1 22 22 ALA H H 22 8.704 8.704 7.799 0.905 18901 1309 1 3 . 1 1 23 23 HIS N N 23 120.666 120.666 118.252 2.414 18901 1310 1 3 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.717 0.264 18901 1311 1 3 . 1 1 23 23 HIS C C 23 174.199 174.199 174.616 -0.417 18901 1312 1 3 . 1 1 23 23 HIS CA C 23 54.267 54.267 54.389 -0.122 18901 1313 1 3 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.526 -1.537 18901 1314 1 3 . 1 1 23 23 HIS H H 23 9.088 9.088 8.147 0.941 18901 1315 1 3 . 1 1 24 24 LEU N N 24 127.467 127.467 122.685 4.782 18901 1316 1 3 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.254 0.926 18901 1317 1 3 . 1 1 24 24 LEU C C 24 176.430 176.430 176.012 0.418 18901 1318 1 3 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.260 1.268 18901 1319 1 3 . 1 1 24 24 LEU CB C 24 44.957 44.957 39.913 5.044 18901 1320 1 3 . 1 1 24 24 LEU H H 24 8.702 8.702 7.906 0.796 18901 1321 1 3 . 1 1 25 25 THR N N 25 111.459 111.459 111.847 -0.388 18901 1322 1 3 . 1 1 25 25 THR HA H 25 4.186 4.186 3.707 0.479 18901 1323 1 3 . 1 1 25 25 THR C C 25 172.720 172.720 172.629 0.091 18901 1324 1 3 . 1 1 25 25 THR CA C 25 60.798 60.798 59.855 0.943 18901 1325 1 3 . 1 1 25 25 THR CB C 25 72.021 72.021 71.377 0.644 18901 1326 1 3 . 1 1 25 25 THR H H 25 8.643 8.643 7.963 0.680 18901 1327 1 3 . 1 1 26 26 TRP N N 26 117.073 117.073 119.111 -2.038 18901 1328 1 3 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.349 -0.316 18901 1329 1 3 . 1 1 26 26 TRP C C 26 173.425 173.425 175.008 -1.583 18901 1330 1 3 . 1 1 26 26 TRP CA C 26 56.687 56.687 54.978 1.708 18901 1331 1 3 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.346 -1.189 18901 1332 1 3 . 1 1 26 26 TRP H H 26 7.301 7.301 6.834 0.467 18901 1333 1 3 . 1 1 27 27 GLU N N 27 115.563 115.563 121.009 -5.446 18901 1334 1 3 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.536 0.286 18901 1335 1 3 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.891 -2.002 18901 1336 1 3 . 1 1 27 27 GLU CB C 27 30.830 30.830 29.739 1.091 18901 1337 1 3 . 1 1 27 27 GLU H H 27 8.753 8.753 8.484 0.269 18901 1338 1 3 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.752 -0.413 18901 1339 1 3 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.470 4.077 18901 1340 1 3 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.379 0.762 18901 1341 1 3 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.588 -0.303 18901 1342 1 3 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.340 -1.360 18901 1343 1 3 . 1 1 29 29 PRO CB C 29 32.884 32.884 31.932 0.952 18901 1344 1 3 . 1 1 30 30 SER N N 30 110.838 110.838 120.358 -9.520 18901 1345 1 3 . 1 1 30 30 SER HA H 30 3.910 3.910 4.674 -0.764 18901 1346 1 3 . 1 1 30 30 SER CA C 30 56.967 56.967 58.492 -1.525 18901 1347 1 3 . 1 1 30 30 SER CB C 30 64.771 64.771 63.712 1.059 18901 1348 1 3 . 1 1 30 30 SER H H 30 8.317 8.317 8.820 -0.503 18901 1349 1 3 . 1 1 31 31 VAL N N 31 114.209 114.209 119.223 -5.014 18901 1350 1 3 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.497 -0.289 18901 1351 1 3 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.358 -0.577 18901 1352 1 3 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.437 0.334 18901 1353 1 3 . 1 1 31 31 VAL H H 31 8.320 8.320 8.029 0.291 18901 1354 1 3 . 1 1 32 32 THR N N 32 119.600 119.600 113.030 6.570 18901 1355 1 3 . 1 1 32 32 THR HA H 32 4.179 4.179 4.610 -0.431 18901 1356 1 3 . 1 1 32 32 THR CA C 32 60.465 60.465 60.843 -0.377 18901 1357 1 3 . 1 1 32 32 THR CB C 32 63.211 63.211 71.610 -8.399 18901 1358 1 3 . 1 1 32 32 THR H H 32 7.828 7.828 7.826 0.002 18901 1359 1 3 . 1 1 33 33 SER N N 33 115.967 115.967 117.172 -1.205 18901 1360 1 3 . 1 1 33 33 SER HA H 33 4.179 4.179 4.373 -0.194 18901 1361 1 3 . 1 1 33 33 SER C C 33 174.332 174.332 174.778 -0.446 18901 1362 1 3 . 1 1 33 33 SER CA C 33 60.428 60.428 58.909 1.519 18901 1363 1 3 . 1 1 33 33 SER CB C 33 62.209 62.209 62.276 -0.067 18901 1364 1 3 . 1 1 33 33 SER H H 33 8.292 8.292 8.614 -0.322 18901 1365 1 3 . 1 1 34 34 GLY N N 34 106.879 106.879 110.727 -3.848 18901 1366 1 3 . 1 1 34 34 GLY C C 34 173.709 173.709 173.144 0.565 18901 1367 1 3 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.831 -0.460 18901 1368 1 3 . 1 1 34 34 GLY H H 34 7.848 7.848 7.534 0.314 18901 1369 1 3 . 1 1 35 35 LYS N N 35 122.205 122.205 122.907 -0.702 18901 1370 1 3 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.525 -0.215 18901 1371 1 3 . 1 1 35 35 LYS C C 35 176.262 176.262 175.440 0.822 18901 1372 1 3 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.228 0.443 18901 1373 1 3 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.172 2.075 18901 1374 1 3 . 1 1 35 35 LYS H H 35 8.628 8.628 8.295 0.333 18901 1375 1 3 . 1 1 36 36 ILE N N 36 120.178 120.178 124.971 -4.793 18901 1376 1 3 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.100 0.021 18901 1377 1 3 . 1 1 36 36 ILE C C 36 177.751 177.751 176.796 0.955 18901 1378 1 3 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.813 -2.893 18901 1379 1 3 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.835 -3.523 18901 1380 1 3 . 1 1 36 36 ILE H H 36 8.344 8.344 8.648 -0.304 18901 1381 1 3 . 1 1 37 37 ILE N N 37 122.285 122.285 120.341 1.944 18901 1382 1 3 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.621 -0.404 18901 1383 1 3 . 1 1 37 37 ILE C C 37 176.085 176.085 175.800 0.285 18901 1384 1 3 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.005 -0.063 18901 1385 1 3 . 1 1 37 37 ILE CB C 37 39.799 39.799 39.950 -0.152 18901 1386 1 3 . 1 1 37 37 ILE H H 37 8.460 8.460 9.007 -0.547 18901 1387 1 3 . 1 1 38 38 GLU N N 38 116.489 116.489 117.245 -0.756 18901 1388 1 3 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.708 -0.539 18901 1389 1 3 . 1 1 38 38 GLU C C 38 171.864 171.864 173.998 -2.134 18901 1390 1 3 . 1 1 38 38 GLU CA C 38 55.976 55.976 56.307 -0.331 18901 1391 1 3 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.266 1.214 18901 1392 1 3 . 1 1 38 38 GLU H H 38 7.143 7.143 7.547 -0.404 18901 1393 1 3 . 1 1 39 39 TYR N N 39 118.418 118.418 118.125 0.293 18901 1394 1 3 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.046 0.649 18901 1395 1 3 . 1 1 39 39 TYR C C 39 176.190 176.190 173.873 2.317 18901 1396 1 3 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.565 -0.654 18901 1397 1 3 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.812 -0.076 18901 1398 1 3 . 1 1 39 39 TYR H H 39 8.860 8.860 8.732 0.128 18901 1399 1 3 . 1 1 40 40 SER N N 40 111.613 111.613 112.600 -0.987 18901 1400 1 3 . 1 1 40 40 SER HA H 40 5.497 5.497 4.640 0.857 18901 1401 1 3 . 1 1 40 40 SER C C 40 172.888 172.888 171.927 0.961 18901 1402 1 3 . 1 1 40 40 SER CA C 40 58.729 58.729 56.372 2.357 18901 1403 1 3 . 1 1 40 40 SER CB C 40 69.596 69.596 66.258 3.338 18901 1404 1 3 . 1 1 40 40 SER H H 40 8.705 8.705 8.644 0.061 18901 1405 1 3 . 1 1 41 41 VAL N N 41 119.202 119.202 120.340 -1.138 18901 1406 1 3 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.779 0.057 18901 1407 1 3 . 1 1 41 41 VAL C C 41 175.106 175.106 174.108 0.998 18901 1408 1 3 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.428 -0.762 18901 1409 1 3 . 1 1 41 41 VAL CB C 41 34.691 34.691 35.403 -0.712 18901 1410 1 3 . 1 1 41 41 VAL H H 41 8.428 8.428 8.252 0.176 18901 1411 1 3 . 1 1 42 42 TYR N N 42 124.792 124.792 123.357 1.435 18901 1412 1 3 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.166 0.330 18901 1413 1 3 . 1 1 42 42 TYR C C 42 174.659 174.659 174.021 0.638 18901 1414 1 3 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.405 -0.645 18901 1415 1 3 . 1 1 42 42 TYR CB C 42 42.396 42.396 41.482 0.914 18901 1416 1 3 . 1 1 42 42 TYR H H 42 9.773 9.773 9.286 0.487 18901 1417 1 3 . 1 1 43 43 LEU N N 43 123.210 123.210 124.674 -1.464 18901 1418 1 3 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.430 0.823 18901 1419 1 3 . 1 1 43 43 LEU C C 43 176.296 176.296 174.809 1.487 18901 1420 1 3 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.061 1.285 18901 1421 1 3 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.285 2.264 18901 1422 1 3 . 1 1 43 43 LEU H H 43 9.368 9.368 8.685 0.683 18901 1423 1 3 . 1 1 44 44 ALA N N 44 127.556 127.556 128.530 -0.974 18901 1424 1 3 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.439 -0.115 18901 1425 1 3 . 1 1 44 44 ALA C C 44 178.318 178.318 176.533 1.785 18901 1426 1 3 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.327 -0.583 18901 1427 1 3 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.194 -0.544 18901 1428 1 3 . 1 1 44 44 ALA H H 44 8.366 8.366 7.655 0.711 18901 1429 1 3 . 1 1 45 45 ILE N N 45 119.672 119.672 116.893 2.779 18901 1430 1 3 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.965 -0.222 18901 1431 1 3 . 1 1 45 45 ILE C C 45 175.937 175.937 176.151 -0.214 18901 1432 1 3 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.711 0.409 18901 1433 1 3 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.400 0.389 18901 1434 1 3 . 1 1 45 45 ILE H H 45 8.599 8.599 7.865 0.734 18901 1435 1 3 . 1 1 46 46 GLN N N 46 120.248 120.248 119.281 0.967 18901 1436 1 3 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.665 -0.258 18901 1437 1 3 . 1 1 46 46 GLN C C 46 176.355 176.355 175.227 1.128 18901 1438 1 3 . 1 1 46 46 GLN CA C 46 55.814 55.814 55.687 0.127 18901 1439 1 3 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.982 1.858 18901 1440 1 3 . 1 1 46 46 GLN H H 46 8.207 8.207 8.836 -0.629 18901 1441 1 3 . 1 1 47 47 SER N N 47 117.541 117.541 116.122 1.419 18901 1442 1 3 . 1 1 47 47 SER HA H 47 4.445 4.445 4.772 -0.327 18901 1443 1 3 . 1 1 47 47 SER C C 47 175.100 175.100 173.149 1.951 18901 1444 1 3 . 1 1 47 47 SER CA C 47 57.957 57.957 57.930 0.027 18901 1445 1 3 . 1 1 47 47 SER CB C 47 64.188 64.188 64.876 -0.688 18901 1446 1 3 . 1 1 47 47 SER H H 47 8.316 8.316 7.581 0.735 18901 1447 1 3 . 1 1 48 48 SER N N 48 116.421 116.421 115.202 1.219 18901 1448 1 3 . 1 1 48 48 SER HA H 48 4.446 4.446 4.746 -0.300 18901 1449 1 3 . 1 1 48 48 SER CA C 48 58.395 58.395 58.115 0.280 18901 1450 1 3 . 1 1 48 48 SER CB C 48 63.932 63.932 64.571 -0.639 18901 1451 1 3 . 1 1 48 48 SER H H 48 8.096 8.096 8.445 -0.349 18901 1452 1 3 . 1 1 49 49 GLN N N 49 120.755 120.755 120.671 0.084 18901 1453 1 3 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.611 -0.300 18901 1454 1 3 . 1 1 49 49 GLN C C 49 176.420 176.420 174.600 1.820 18901 1455 1 3 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.699 0.143 18901 1456 1 3 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.829 -1.078 18901 1457 1 3 . 1 1 49 49 GLN H H 49 8.308 8.308 8.159 0.149 18901 1458 1 3 . 1 1 50 50 ALA N N 50 124.199 124.199 123.080 1.119 18901 1459 1 3 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.387 -0.075 18901 1460 1 3 . 1 1 50 50 ALA C C 50 178.375 178.375 176.354 2.021 18901 1461 1 3 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.574 0.046 18901 1462 1 3 . 1 1 50 50 ALA CB C 50 19.453 19.453 19.244 0.209 18901 1463 1 3 . 1 1 50 50 ALA H H 50 8.219 8.219 8.320 -0.101 18901 1464 1 3 . 1 1 51 51 SER N N 51 113.652 113.652 115.363 -1.711 18901 1465 1 3 . 1 1 51 51 SER HA H 51 4.307 4.307 4.502 -0.195 18901 1466 1 3 . 1 1 51 51 SER C C 51 175.739 175.739 173.864 1.875 18901 1467 1 3 . 1 1 51 51 SER CA C 51 52.695 52.695 58.063 -5.368 18901 1468 1 3 . 1 1 51 51 SER CB C 51 62.104 62.104 63.987 -1.883 18901 1469 1 3 . 1 1 51 51 SER H H 51 8.148 8.148 8.301 -0.153 18901 1470 1 3 . 1 1 52 52 GLY N N 52 109.442 109.442 113.010 -3.568 18901 1471 1 3 . 1 1 52 52 GLY C C 52 174.511 174.511 172.933 1.578 18901 1472 1 3 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.209 0.189 18901 1473 1 3 . 1 1 52 52 GLY H H 52 8.267 8.267 8.245 0.022 18901 1474 1 3 . 1 1 53 53 GLU N N 53 120.137 120.137 124.404 -4.267 18901 1475 1 3 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.343 0.210 18901 1476 1 3 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.647 -0.592 18901 1477 1 3 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.925 -0.081 18901 1478 1 3 . 1 1 53 53 GLU H H 53 7.951 7.951 8.274 -0.323 18901 1479 1 3 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.412 -0.047 18901 1480 1 3 . 1 1 54 54 PRO C C 54 177.830 177.830 175.649 2.181 18901 1481 1 3 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.191 1.519 18901 1482 1 3 . 1 1 54 54 PRO CB C 54 32.712 32.712 30.835 1.877 18901 1483 1 3 . 1 1 55 55 LYS N N 55 119.406 119.406 117.287 2.119 18901 1484 1 3 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.996 0.269 18901 1485 1 3 . 1 1 55 55 LYS C C 55 177.347 177.347 175.549 1.798 18901 1486 1 3 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.317 -0.620 18901 1487 1 3 . 1 1 55 55 LYS CB C 55 33.246 33.246 29.679 3.567 18901 1488 1 3 . 1 1 55 55 LYS H H 55 8.315 8.315 8.090 0.225 18901 1489 1 3 . 1 1 56 56 SER N N 56 114.624 114.624 113.709 0.915 18901 1490 1 3 . 1 1 56 56 SER HA H 56 4.564 4.564 3.798 0.766 18901 1491 1 3 . 1 1 56 56 SER C C 56 175.285 175.285 174.603 0.682 18901 1492 1 3 . 1 1 56 56 SER CA C 56 60.090 60.090 60.189 -0.099 18901 1493 1 3 . 1 1 56 56 SER CB C 56 63.305 63.305 64.213 -0.908 18901 1494 1 3 . 1 1 56 56 SER H H 56 8.090 8.090 8.869 -0.779 18901 1495 1 3 . 1 1 57 57 SER N N 57 116.016 116.016 110.993 5.023 18901 1496 1 3 . 1 1 57 57 SER HA H 57 4.455 4.455 4.569 -0.114 18901 1497 1 3 . 1 1 57 57 SER C C 57 174.988 174.988 174.342 0.646 18901 1498 1 3 . 1 1 57 57 SER CA C 57 58.332 58.332 58.211 0.121 18901 1499 1 3 . 1 1 57 57 SER CB C 57 63.876 63.876 64.385 -0.509 18901 1500 1 3 . 1 1 57 57 SER H H 57 8.224 8.224 8.717 -0.493 18901 1501 1 3 . 1 1 58 58 THR N N 58 116.090 116.090 118.873 -2.783 18901 1502 1 3 . 1 1 58 58 THR HA H 58 4.602 4.602 4.801 -0.199 18901 1503 1 3 . 1 1 58 58 THR CA C 58 59.935 59.935 59.671 0.264 18901 1504 1 3 . 1 1 58 58 THR CB C 58 69.773 69.773 70.654 -0.881 18901 1505 1 3 . 1 1 58 58 THR H H 58 7.939 7.939 7.883 0.056 18901 1506 1 3 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.520 -0.239 18901 1507 1 3 . 1 1 59 59 PRO C C 59 177.272 177.272 175.235 2.037 18901 1508 1 3 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.620 -0.544 18901 1509 1 3 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.489 0.289 18901 1510 1 3 . 1 1 60 60 ALA N N 60 122.319 122.319 123.315 -0.996 18901 1511 1 3 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.403 -0.184 18901 1512 1 3 . 1 1 60 60 ALA C C 60 178.277 178.277 175.653 2.624 18901 1513 1 3 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.551 0.949 18901 1514 1 3 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.612 -1.153 18901 1515 1 3 . 1 1 60 60 ALA H H 60 8.156 8.156 7.908 0.248 18901 1516 1 3 . 1 1 61 61 GLN N N 61 117.680 117.680 121.491 -3.811 18901 1517 1 3 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.508 -0.230 18901 1518 1 3 . 1 1 61 61 GLN C C 61 176.148 176.148 174.593 1.555 18901 1519 1 3 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.817 -0.292 18901 1520 1 3 . 1 1 61 61 GLN CB C 61 30.044 30.044 28.719 1.325 18901 1521 1 3 . 1 1 61 61 GLN H H 61 8.016 8.016 8.470 -0.454 18901 1522 1 3 . 1 1 62 62 LEU N N 62 121.805 121.805 120.585 1.220 18901 1523 1 3 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.402 -0.273 18901 1524 1 3 . 1 1 62 62 LEU C C 62 176.202 176.202 174.562 1.640 18901 1525 1 3 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.471 1.103 18901 1526 1 3 . 1 1 62 62 LEU CB C 62 43.290 43.290 44.217 -0.927 18901 1527 1 3 . 1 1 62 62 LEU H H 62 7.968 7.968 8.012 -0.044 18901 1528 1 3 . 1 1 63 63 ALA N N 63 124.947 124.947 123.552 1.395 18901 1529 1 3 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.524 -0.028 18901 1530 1 3 . 1 1 63 63 ALA C C 63 176.252 176.252 175.793 0.459 18901 1531 1 3 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.296 -0.498 18901 1532 1 3 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.321 0.325 18901 1533 1 3 . 1 1 63 63 ALA H H 63 8.434 8.434 7.903 0.531 18901 1534 1 3 . 1 1 64 64 PHE N N 64 117.099 117.099 121.453 -4.354 18901 1535 1 3 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.039 0.045 18901 1536 1 3 . 1 1 64 64 PHE C C 64 176.403 176.403 175.117 1.286 18901 1537 1 3 . 1 1 64 64 PHE CA C 64 57.733 57.733 54.603 3.130 18901 1538 1 3 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.412 0.398 18901 1539 1 3 . 1 1 64 64 PHE H H 64 8.446 8.446 8.475 -0.029 18901 1540 1 3 . 1 1 65 65 MET N N 65 120.470 120.470 120.748 -0.278 18901 1541 1 3 . 1 1 65 65 MET HA H 65 4.902 4.902 4.897 0.005 18901 1542 1 3 . 1 1 65 65 MET CA C 65 53.984 53.984 54.395 -0.411 18901 1543 1 3 . 1 1 65 65 MET CB C 65 36.825 36.825 36.153 0.672 18901 1544 1 3 . 1 1 65 65 MET H H 65 9.050 9.050 8.937 0.113 18901 1545 1 3 . 1 1 66 66 ARG N N 66 120.685 120.685 129.584 -8.899 18901 1546 1 3 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.321 -0.178 18901 1547 1 3 . 1 1 66 66 ARG C C 66 176.916 176.916 176.853 0.063 18901 1548 1 3 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.216 1.746 18901 1549 1 3 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.638 2.434 18901 1550 1 3 . 1 1 66 66 ARG H H 66 7.540 7.540 8.965 -1.425 18901 1551 1 3 . 1 1 67 67 VAL N N 67 117.677 117.677 121.818 -4.141 18901 1552 1 3 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.910 0.804 18901 1553 1 3 . 1 1 67 67 VAL C C 67 175.777 175.777 175.836 -0.059 18901 1554 1 3 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.287 -3.368 18901 1555 1 3 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.998 1.416 18901 1556 1 3 . 1 1 67 67 VAL H H 67 8.859 8.859 7.967 0.892 18901 1557 1 3 . 1 1 68 68 TYR N N 68 120.707 120.707 121.892 -1.185 18901 1558 1 3 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.651 0.126 18901 1559 1 3 . 1 1 68 68 TYR C C 68 173.712 173.712 174.834 -1.122 18901 1560 1 3 . 1 1 68 68 TYR CA C 68 58.305 58.305 58.105 0.200 18901 1561 1 3 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.097 4.959 18901 1562 1 3 . 1 1 68 68 TYR H H 68 7.539 7.539 7.477 0.062 18901 1563 1 3 . 1 1 69 69 CYS N N 69 127.927 127.927 125.496 2.431 18901 1564 1 3 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.682 0.387 18901 1565 1 3 . 1 1 69 69 CYS C C 69 174.094 174.094 174.310 -0.216 18901 1566 1 3 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.517 -1.327 18901 1567 1 3 . 1 1 69 69 CYS CB C 69 27.990 27.990 27.668 0.322 18901 1568 1 3 . 1 1 69 69 CYS H H 69 7.601 7.601 8.469 -0.868 18901 1569 1 3 . 1 1 70 70 GLY N N 70 114.822 114.822 110.243 4.579 18901 1570 1 3 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.694 1.452 18901 1571 1 3 . 1 1 70 70 GLY H H 70 8.336 8.336 7.552 0.784 18901 1572 1 3 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.632 -0.084 18901 1573 1 3 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.719 -0.056 18901 1574 1 3 . 1 1 72 72 SER N N 72 112.451 112.451 113.316 -0.865 18901 1575 1 3 . 1 1 72 72 SER HA H 72 4.850 4.850 4.955 -0.105 18901 1576 1 3 . 1 1 72 72 SER CA C 72 56.874 56.874 56.803 0.071 18901 1577 1 3 . 1 1 72 72 SER CB C 72 63.248 63.248 63.978 -0.730 18901 1578 1 3 . 1 1 72 72 SER H H 72 7.327 7.327 8.051 -0.724 18901 1579 1 3 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.338 -0.145 18901 1580 1 3 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.228 0.327 18901 1581 1 3 . 1 1 73 73 PRO CB C 73 32.236 32.236 31.720 0.516 18901 1582 1 3 . 1 1 74 74 SER N N 74 111.450 111.450 115.081 -3.631 18901 1583 1 3 . 1 1 74 74 SER HA H 74 3.907 3.907 3.920 -0.013 18901 1584 1 3 . 1 1 74 74 SER CA C 74 56.710 56.710 58.461 -1.751 18901 1585 1 3 . 1 1 74 74 SER CB C 74 64.647 64.647 62.205 2.442 18901 1586 1 3 . 1 1 74 74 SER H H 74 6.909 6.909 8.270 -1.361 18901 1587 1 3 . 1 1 75 75 CYS N N 75 124.103 124.103 121.357 2.746 18901 1588 1 3 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.156 -0.597 18901 1589 1 3 . 1 1 75 75 CYS C C 75 171.568 171.568 172.846 -1.278 18901 1590 1 3 . 1 1 75 75 CYS CA C 75 62.200 62.200 60.184 2.016 18901 1591 1 3 . 1 1 75 75 CYS CB C 75 26.251 26.251 27.176 -0.925 18901 1592 1 3 . 1 1 75 75 CYS H H 75 6.017 6.017 8.558 -2.541 18901 1593 1 3 . 1 1 76 76 LEU N N 76 121.191 121.191 127.600 -6.409 18901 1594 1 3 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.660 0.163 18901 1595 1 3 . 1 1 76 76 LEU C C 76 176.786 176.786 174.648 2.138 18901 1596 1 3 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.212 -0.846 18901 1597 1 3 . 1 1 76 76 LEU CB C 76 44.226 44.226 43.328 0.898 18901 1598 1 3 . 1 1 76 76 LEU H H 76 8.015 8.015 8.112 -0.097 18901 1599 1 3 . 1 1 77 77 VAL N N 77 126.347 126.347 124.813 1.534 18901 1600 1 3 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.329 -0.077 18901 1601 1 3 . 1 1 77 77 VAL C C 77 175.529 175.529 174.950 0.579 18901 1602 1 3 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.641 0.010 18901 1603 1 3 . 1 1 77 77 VAL CB C 77 32.676 32.676 33.969 -1.293 18901 1604 1 3 . 1 1 77 77 VAL H H 77 9.084 9.084 8.433 0.651 18901 1605 1 3 . 1 1 78 78 GLN N N 78 124.566 124.566 125.780 -1.214 18901 1606 1 3 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.287 0.228 18901 1607 1 3 . 1 1 78 78 GLN C C 78 178.805 178.805 177.619 1.186 18901 1608 1 3 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.871 0.045 18901 1609 1 3 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.213 1.185 18901 1610 1 3 . 1 1 78 78 GLN H H 78 8.908 8.908 8.760 0.148 18901 1611 1 3 . 1 1 79 79 SER N N 79 116.974 116.974 121.721 -4.747 18901 1612 1 3 . 1 1 79 79 SER HA H 79 4.087 4.087 4.143 -0.056 18901 1613 1 3 . 1 1 79 79 SER C C 79 177.179 177.179 176.323 0.856 18901 1614 1 3 . 1 1 79 79 SER CA C 79 62.454 62.454 61.622 0.832 18901 1615 1 3 . 1 1 79 79 SER CB C 79 62.787 62.787 62.766 0.021 18901 1616 1 3 . 1 1 79 79 SER H H 79 8.458 8.458 9.138 -0.680 18901 1617 1 3 . 1 1 80 80 SER N N 80 114.734 114.734 118.031 -3.297 18901 1618 1 3 . 1 1 80 80 SER HA H 80 4.211 4.211 4.267 -0.056 18901 1619 1 3 . 1 1 80 80 SER C C 80 177.853 177.853 175.272 2.581 18901 1620 1 3 . 1 1 80 80 SER CA C 80 61.190 61.190 60.311 0.879 18901 1621 1 3 . 1 1 80 80 SER CB C 80 62.358 62.358 63.019 -0.661 18901 1622 1 3 . 1 1 80 80 SER H H 80 8.537 8.537 8.684 -0.147 18901 1623 1 3 . 1 1 81 81 SER N N 81 117.137 117.137 116.140 0.997 18901 1624 1 3 . 1 1 81 81 SER HA H 81 4.455 4.455 4.510 -0.055 18901 1625 1 3 . 1 1 81 81 SER C C 81 175.702 175.702 175.271 0.431 18901 1626 1 3 . 1 1 81 81 SER CA C 81 61.433 61.433 60.639 0.794 18901 1627 1 3 . 1 1 81 81 SER CB C 81 63.130 63.130 64.095 -0.965 18901 1628 1 3 . 1 1 81 81 SER H H 81 7.514 7.514 8.140 -0.626 18901 1629 1 3 . 1 1 82 82 LEU N N 82 117.548 117.548 121.088 -3.540 18901 1630 1 3 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.251 -0.218 18901 1631 1 3 . 1 1 82 82 LEU C C 82 179.445 179.445 179.870 -0.425 18901 1632 1 3 . 1 1 82 82 LEU CA C 82 56.702 56.702 56.961 -0.259 18901 1633 1 3 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.045 0.742 18901 1634 1 3 . 1 1 82 82 LEU H H 82 7.629 7.629 7.556 0.073 18901 1635 1 3 . 1 1 83 83 SER N N 83 113.258 113.258 116.283 -3.025 18901 1636 1 3 . 1 1 83 83 SER HA H 83 4.214 4.214 4.187 0.027 18901 1637 1 3 . 1 1 83 83 SER C C 83 175.256 175.256 175.710 -0.454 18901 1638 1 3 . 1 1 83 83 SER CA C 83 61.192 61.192 61.190 0.002 18901 1639 1 3 . 1 1 83 83 SER CB C 83 63.544 63.544 63.373 0.171 18901 1640 1 3 . 1 1 83 83 SER H H 83 7.805 7.805 8.765 -0.960 18901 1641 1 3 . 1 1 84 84 ASN N N 84 116.565 116.565 117.385 -0.820 18901 1642 1 3 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.687 0.235 18901 1643 1 3 . 1 1 84 84 ASN C C 84 175.063 175.063 174.350 0.713 18901 1644 1 3 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.378 -0.706 18901 1645 1 3 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.576 1.115 18901 1646 1 3 . 1 1 84 84 ASN H H 84 7.612 7.612 8.468 -0.856 18901 1647 1 3 . 1 1 85 85 ALA N N 85 119.819 119.819 120.759 -0.940 18901 1648 1 3 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.463 -0.214 18901 1649 1 3 . 1 1 85 85 ALA C C 85 178.113 178.113 176.996 1.117 18901 1650 1 3 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.532 1.533 18901 1651 1 3 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.725 0.095 18901 1652 1 3 . 1 1 85 85 ALA H H 85 7.558 7.558 7.066 0.492 18901 1653 1 3 . 1 1 86 86 HIS N N 86 118.388 118.388 123.282 -4.894 18901 1654 1 3 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.413 -0.008 18901 1655 1 3 . 1 1 86 86 HIS C C 86 175.333 175.333 175.126 0.207 18901 1656 1 3 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.100 -0.481 18901 1657 1 3 . 1 1 86 86 HIS CB C 86 29.198 29.198 29.523 -0.325 18901 1658 1 3 . 1 1 86 86 HIS H H 86 8.280 8.280 7.961 0.319 18901 1659 1 3 . 1 1 87 87 ILE N N 87 126.618 126.618 128.678 -2.060 18901 1660 1 3 . 1 1 87 87 ILE HA H 87 4.055 4.055 3.908 0.147 18901 1661 1 3 . 1 1 87 87 ILE C C 87 174.718 174.718 175.936 -1.218 18901 1662 1 3 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.693 -0.266 18901 1663 1 3 . 1 1 87 87 ILE CB C 87 37.442 37.442 36.971 0.471 18901 1664 1 3 . 1 1 87 87 ILE H H 87 7.873 7.873 7.995 -0.122 18901 1665 1 3 . 1 1 88 88 ASP N N 88 124.684 124.684 126.809 -2.125 18901 1666 1 3 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.493 0.019 18901 1667 1 3 . 1 1 88 88 ASP C C 88 176.506 176.506 175.297 1.209 18901 1668 1 3 . 1 1 88 88 ASP CA C 88 53.237 53.237 55.075 -1.838 18901 1669 1 3 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.096 1.665 18901 1670 1 3 . 1 1 88 88 ASP H H 88 8.572 8.572 8.609 -0.037 18901 1671 1 3 . 1 1 89 89 TYR N N 89 122.959 122.959 126.467 -3.508 18901 1672 1 3 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.759 -0.380 18901 1673 1 3 . 1 1 89 89 TYR C C 89 176.631 176.631 175.073 1.558 18901 1674 1 3 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.173 1.456 18901 1675 1 3 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.725 -0.263 18901 1676 1 3 . 1 1 89 89 TYR H H 89 8.533 8.533 8.890 -0.357 18901 1677 1 3 . 1 1 90 90 THR N N 90 115.232 115.232 114.681 0.551 18901 1678 1 3 . 1 1 90 90 THR HA H 90 3.974 3.974 4.703 -0.729 18901 1679 1 3 . 1 1 90 90 THR C C 90 176.298 176.298 176.122 0.176 18901 1680 1 3 . 1 1 90 90 THR CA C 90 65.610 65.610 62.326 3.284 18901 1681 1 3 . 1 1 90 90 THR CB C 90 68.758 68.758 69.428 -0.670 18901 1682 1 3 . 1 1 90 90 THR H H 90 8.024 8.024 8.490 -0.466 18901 1683 1 3 . 1 1 91 91 THR N N 91 112.253 112.253 117.810 -5.557 18901 1684 1 3 . 1 1 91 91 THR HA H 91 4.290 4.290 4.147 0.143 18901 1685 1 3 . 1 1 91 91 THR C C 91 174.644 174.644 175.054 -0.410 18901 1686 1 3 . 1 1 91 91 THR CA C 91 61.288 61.288 64.910 -3.622 18901 1687 1 3 . 1 1 91 91 THR CB C 91 69.418 69.418 69.411 0.007 18901 1688 1 3 . 1 1 91 91 THR H H 91 8.013 8.013 8.199 -0.186 18901 1689 1 3 . 1 1 92 92 LYS N N 92 121.833 121.833 118.658 3.175 18901 1690 1 3 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.711 -0.252 18901 1691 1 3 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.737 0.695 18901 1692 1 3 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.526 -6.103 18901 1693 1 3 . 1 1 92 92 LYS H H 92 7.883 7.883 8.377 -0.494 18901 1694 1 3 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.688 -0.477 18901 1695 1 3 . 1 1 93 93 PRO C C 93 176.775 176.775 175.302 1.473 18901 1696 1 3 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.932 0.453 18901 1697 1 3 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.806 1.408 18901 1698 1 3 . 1 1 94 94 ALA N N 94 122.487 122.487 125.021 -2.534 18901 1699 1 3 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.998 -0.133 18901 1700 1 3 . 1 1 94 94 ALA C C 94 175.790 175.790 175.158 0.632 18901 1701 1 3 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.789 0.222 18901 1702 1 3 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.781 0.059 18901 1703 1 3 . 1 1 94 94 ALA H H 94 8.072 8.072 7.900 0.172 18901 1704 1 3 . 1 1 95 95 ILE N N 95 120.526 120.526 121.431 -0.905 18901 1705 1 3 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.418 -0.127 18901 1706 1 3 . 1 1 95 95 ILE C C 95 175.063 175.063 175.476 -0.413 18901 1707 1 3 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.324 0.106 18901 1708 1 3 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.085 1.571 18901 1709 1 3 . 1 1 95 95 ILE H H 95 8.099 8.099 8.230 -0.131 18901 1710 1 3 . 1 1 96 96 ILE N N 96 126.053 126.053 128.086 -2.033 18901 1711 1 3 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.386 0.568 18901 1712 1 3 . 1 1 96 96 ILE C C 96 175.609 175.609 175.176 0.433 18901 1713 1 3 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.976 0.314 18901 1714 1 3 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.194 2.705 18901 1715 1 3 . 1 1 96 96 ILE H H 96 9.393 9.393 8.729 0.664 18901 1716 1 3 . 1 1 97 97 PHE N N 97 120.455 120.455 126.265 -5.810 18901 1717 1 3 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.052 0.965 18901 1718 1 3 . 1 1 97 97 PHE C C 97 177.044 177.044 174.658 2.386 18901 1719 1 3 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.599 -0.830 18901 1720 1 3 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.238 0.448 18901 1721 1 3 . 1 1 97 97 PHE H H 97 8.626 8.626 9.089 -0.463 18901 1722 1 3 . 1 1 98 98 ARG N N 98 117.253 117.253 122.920 -5.667 18901 1723 1 3 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.976 0.465 18901 1724 1 3 . 1 1 98 98 ARG C C 98 176.125 176.125 174.568 1.557 18901 1725 1 3 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.884 0.079 18901 1726 1 3 . 1 1 98 98 ARG CB C 98 35.621 35.621 33.231 2.390 18901 1727 1 3 . 1 1 98 98 ARG H H 98 9.041 9.041 8.657 0.384 18901 1728 1 3 . 1 1 99 99 ILE N N 99 120.894 120.894 122.864 -1.970 18901 1729 1 3 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.843 0.176 18901 1730 1 3 . 1 1 99 99 ILE C C 99 174.486 174.486 173.873 0.613 18901 1731 1 3 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.896 1.038 18901 1732 1 3 . 1 1 99 99 ILE CB C 99 41.415 41.415 41.681 -0.266 18901 1733 1 3 . 1 1 99 99 ILE H H 99 8.499 8.499 8.361 0.138 18901 1734 1 3 . 1 1 100 100 ALA N N 100 127.368 127.368 126.990 0.378 18901 1735 1 3 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.810 0.078 18901 1736 1 3 . 1 1 100 100 ALA C C 100 175.044 175.044 175.084 -0.040 18901 1737 1 3 . 1 1 100 100 ALA CA C 100 51.356 51.356 51.081 0.275 18901 1738 1 3 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.881 1.709 18901 1739 1 3 . 1 1 100 100 ALA H H 100 8.779 8.779 8.733 0.046 18901 1740 1 3 . 1 1 101 101 ALA N N 101 123.472 123.472 124.422 -0.950 18901 1741 1 3 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.875 2.243 18901 1742 1 3 . 1 1 101 101 ALA C C 101 174.314 174.314 176.806 -2.492 18901 1743 1 3 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.560 -0.992 18901 1744 1 3 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.062 5.559 18901 1745 1 3 . 1 1 101 101 ALA H H 101 9.955 9.955 8.618 1.337 18901 1746 1 3 . 1 1 102 102 ARG N N 102 119.295 119.295 125.819 -6.524 18901 1747 1 3 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.157 0.434 18901 1748 1 3 . 1 1 102 102 ARG C C 102 176.649 176.649 174.726 1.923 18901 1749 1 3 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.773 -0.702 18901 1750 1 3 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.008 4.162 18901 1751 1 3 . 1 1 102 102 ARG H H 102 8.474 8.474 7.852 0.622 18901 1752 1 3 . 1 1 103 103 ASN N N 103 124.198 124.198 122.112 2.086 18901 1753 1 3 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.322 0.132 18901 1754 1 3 . 1 1 103 103 ASN C C 103 176.327 176.327 176.196 0.131 18901 1755 1 3 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.406 -0.102 18901 1756 1 3 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.724 -2.064 18901 1757 1 3 . 1 1 103 103 ASN H H 103 7.816 7.816 7.850 -0.034 18901 1758 1 3 . 1 1 104 104 GLU N N 104 115.270 115.270 120.997 -5.727 18901 1759 1 3 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.965 -0.112 18901 1760 1 3 . 1 1 104 104 GLU C C 104 177.716 177.716 177.283 0.433 18901 1761 1 3 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.069 0.836 18901 1762 1 3 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.179 -0.015 18901 1763 1 3 . 1 1 104 104 GLU H H 104 9.416 9.416 8.829 0.587 18901 1764 1 3 . 1 1 105 105 LYS N N 105 116.576 116.576 116.125 0.451 18901 1765 1 3 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.188 0.074 18901 1766 1 3 . 1 1 105 105 LYS C C 105 177.667 177.667 177.349 0.318 18901 1767 1 3 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.615 0.440 18901 1768 1 3 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.369 0.682 18901 1769 1 3 . 1 1 105 105 LYS H H 105 7.737 7.737 8.066 -0.329 18901 1770 1 3 . 1 1 106 106 GLY N N 106 104.067 104.067 106.799 -2.732 18901 1771 1 3 . 1 1 106 106 GLY C C 106 172.796 172.796 174.640 -1.844 18901 1772 1 3 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.413 1.504 18901 1773 1 3 . 1 1 106 106 GLY H H 106 7.906 7.906 7.798 0.108 18901 1774 1 3 . 1 1 107 107 TYR N N 107 117.296 117.296 122.904 -5.608 18901 1775 1 3 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.586 0.163 18901 1776 1 3 . 1 1 107 107 TYR C C 107 178.772 178.772 176.503 2.269 18901 1777 1 3 . 1 1 107 107 TYR CA C 107 59.800 59.800 57.653 2.147 18901 1778 1 3 . 1 1 107 107 TYR CB C 107 40.566 40.566 35.945 4.621 18901 1779 1 3 . 1 1 107 107 TYR H H 107 8.378 8.378 8.526 -0.148 18901 1780 1 3 . 1 1 108 108 GLY N N 108 107.379 107.379 109.244 -1.865 18901 1781 1 3 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.533 -1.271 18901 1782 1 3 . 1 1 108 108 GLY H H 108 8.651 8.651 8.299 0.352 18901 1783 1 3 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.929 -0.984 18901 1784 1 3 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.820 0.051 18901 1785 1 3 . 1 1 110 110 ALA C C 110 179.404 179.404 176.094 3.310 18901 1786 1 3 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.887 -0.619 18901 1787 1 3 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.018 -1.903 18901 1788 1 3 . 1 1 111 111 THR N N 111 118.432 118.432 114.418 4.014 18901 1789 1 3 . 1 1 111 111 THR HA H 111 4.396 4.396 4.306 0.090 18901 1790 1 3 . 1 1 111 111 THR C C 111 173.449 173.449 174.228 -0.779 18901 1791 1 3 . 1 1 111 111 THR CA C 111 61.721 61.721 61.187 0.534 18901 1792 1 3 . 1 1 111 111 THR CB C 111 69.967 69.967 69.675 0.292 18901 1793 1 3 . 1 1 111 111 THR H H 111 8.810 8.810 8.218 0.592 18901 1794 1 3 . 1 1 112 112 GLN N N 112 127.590 127.590 124.847 2.743 18901 1795 1 3 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.815 0.522 18901 1796 1 3 . 1 1 112 112 GLN C C 112 175.442 175.442 174.432 1.010 18901 1797 1 3 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.945 -0.142 18901 1798 1 3 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.612 2.141 18901 1799 1 3 . 1 1 112 112 GLN H H 112 8.698 8.698 8.588 0.110 18901 1800 1 3 . 1 1 113 113 VAL N N 113 123.646 123.646 125.556 -1.910 18901 1801 1 3 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.361 0.213 18901 1802 1 3 . 1 1 113 113 VAL C C 113 173.891 173.891 174.119 -0.228 18901 1803 1 3 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.007 -0.723 18901 1804 1 3 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.048 1.016 18901 1805 1 3 . 1 1 113 113 VAL H H 113 9.101 9.101 8.813 0.288 18901 1806 1 3 . 1 1 114 114 ARG N N 114 122.944 122.944 121.201 1.743 18901 1807 1 3 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.062 -0.129 18901 1808 1 3 . 1 1 114 114 ARG C C 114 175.683 175.683 175.128 0.555 18901 1809 1 3 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.690 0.059 18901 1810 1 3 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.415 -0.362 18901 1811 1 3 . 1 1 114 114 ARG H H 114 8.434 8.434 8.333 0.101 18901 1812 1 3 . 1 1 115 115 TRP N N 115 126.067 126.067 128.715 -2.648 18901 1813 1 3 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.006 0.251 18901 1814 1 3 . 1 1 115 115 TRP CA C 115 54.521 54.521 54.514 0.007 18901 1815 1 3 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.666 1.382 18901 1816 1 3 . 1 1 115 115 TRP H H 115 9.944 9.944 9.258 0.686 18901 1817 1 3 . 1 1 116 116 LEU N N 116 130.031 130.031 126.844 3.187 18901 1818 1 3 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.111 0.152 18901 1819 1 3 . 1 1 116 116 LEU CA C 116 55.697 55.697 56.627 -0.930 18901 1820 1 3 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.566 0.162 18901 1821 1 3 . 1 1 116 116 LEU H H 116 8.722 8.722 7.725 0.997 18901 1822 1 3 . 1 1 117 117 GLN N N 117 124.737 124.737 117.313 7.424 18901 1823 1 3 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.056 -0.008 18901 1824 1 3 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.787 0.649 18901 1825 1 3 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.848 2.820 18901 1826 1 3 . 1 1 117 117 GLN H H 117 7.453 7.453 7.925 -0.472 18901 1827 1 3 . 1 1 118 118 GLU N N 118 118.531 118.531 118.102 0.429 18901 1828 1 3 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.178 -0.783 18901 1829 1 3 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.108 -0.426 18901 1830 1 3 . 1 1 118 118 GLU CB C 118 29.372 29.372 31.156 -1.784 18901 1831 1 3 . 1 1 118 118 GLU H H 118 7.891 7.891 7.153 0.738 18901 1832 1 3 . 1 1 119 119 THR N N 119 121.831 121.831 118.907 2.924 18901 1833 1 3 . 1 1 119 119 THR HA H 119 4.267 4.267 4.524 -0.257 18901 1834 1 3 . 1 1 119 119 THR CA C 119 55.604 55.604 61.604 -6.000 18901 1835 1 3 . 1 1 119 119 THR CB C 119 69.285 69.285 70.996 -1.711 18901 1836 1 3 . 1 1 119 119 THR H H 119 7.892 7.892 8.137 -0.245 18901 1837 1 4 . 1 1 6 6 PHE N N 6 117.872 117.872 120.699 -2.827 18901 1838 1 4 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.950 -0.160 18901 1839 1 4 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.068 1.958 18901 1840 1 4 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.222 -0.962 18901 1841 1 4 . 1 1 6 6 PHE H H 6 7.818 7.818 8.182 -0.364 18901 1842 1 4 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.077 -58.891 18901 1843 1 4 . 1 1 8 8 GLY N N 8 101.657 101.657 107.958 -6.301 18901 1844 1 4 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.704 -0.528 18901 1845 1 4 . 1 1 8 8 GLY H H 8 7.927 7.927 7.470 0.457 18901 1846 1 4 . 1 1 9 9 ALA N N 9 120.767 120.767 119.399 1.368 18901 1847 1 4 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.077 0.788 18901 1848 1 4 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.391 -1.193 18901 1849 1 4 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.467 1.470 18901 1850 1 4 . 1 1 9 9 ALA H H 9 8.235 8.235 8.159 0.076 18901 1851 1 4 . 1 1 10 10 PRO HA H 10 4.357 4.357 5.073 -0.716 18901 1852 1 4 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.445 0.867 18901 1853 1 4 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.761 0.050 18901 1854 1 4 . 1 1 11 11 CYS N N 11 114.905 114.905 119.172 -4.267 18901 1855 1 4 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.899 0.039 18901 1856 1 4 . 1 1 11 11 CYS C C 11 172.706 172.706 174.369 -1.663 18901 1857 1 4 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.503 -0.665 18901 1858 1 4 . 1 1 11 11 CYS CB C 11 32.139 32.139 32.122 0.017 18901 1859 1 4 . 1 1 11 11 CYS H H 11 8.084 8.084 8.124 -0.040 18901 1860 1 4 . 1 1 12 12 ALA N N 12 120.844 120.844 122.034 -1.190 18901 1861 1 4 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.943 -0.016 18901 1862 1 4 . 1 1 12 12 ALA C C 12 176.005 176.005 176.274 -0.269 18901 1863 1 4 . 1 1 12 12 ALA CA C 12 52.764 52.764 52.832 -0.068 18901 1864 1 4 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.926 -0.330 18901 1865 1 4 . 1 1 12 12 ALA H H 12 8.535 8.535 8.691 -0.156 18901 1866 1 4 . 1 1 13 13 ILE N N 13 116.800 116.800 117.933 -1.133 18901 1867 1 4 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.335 0.118 18901 1868 1 4 . 1 1 13 13 ILE C C 13 177.506 177.506 176.706 0.800 18901 1869 1 4 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.371 -0.036 18901 1870 1 4 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.549 -0.681 18901 1871 1 4 . 1 1 13 13 ILE H H 13 7.802 7.802 7.691 0.111 18901 1872 1 4 . 1 1 14 14 LYS N N 14 129.030 129.030 127.179 1.851 18901 1873 1 4 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.731 -0.134 18901 1874 1 4 . 1 1 14 14 LYS C C 14 175.508 175.508 174.808 0.700 18901 1875 1 4 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.009 0.543 18901 1876 1 4 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.430 -0.142 18901 1877 1 4 . 1 1 14 14 LYS H H 14 9.249 9.249 8.469 0.780 18901 1878 1 4 . 1 1 15 15 ILE N N 15 121.333 121.333 122.381 -1.048 18901 1879 1 4 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.927 -0.343 18901 1880 1 4 . 1 1 15 15 ILE C C 15 175.983 175.983 174.751 1.232 18901 1881 1 4 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.987 0.821 18901 1882 1 4 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.278 -0.658 18901 1883 1 4 . 1 1 15 15 ILE H H 15 8.231 8.231 8.351 -0.120 18901 1884 1 4 . 1 1 16 16 SER N N 16 120.251 120.251 119.029 1.222 18901 1885 1 4 . 1 1 16 16 SER HA H 16 4.933 4.933 4.929 0.004 18901 1886 1 4 . 1 1 16 16 SER C C 16 173.725 173.725 172.797 0.928 18901 1887 1 4 . 1 1 16 16 SER CA C 16 56.656 56.656 56.556 0.100 18901 1888 1 4 . 1 1 16 16 SER CB C 16 65.750 65.750 65.522 0.228 18901 1889 1 4 . 1 1 16 16 SER H H 16 8.694 8.694 8.380 0.314 18901 1890 1 4 . 1 1 17 17 LYS N N 17 124.155 124.155 121.451 2.704 18901 1891 1 4 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.400 0.260 18901 1892 1 4 . 1 1 17 17 LYS C C 17 175.815 175.815 175.942 -0.127 18901 1893 1 4 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.867 0.409 18901 1894 1 4 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.906 0.660 18901 1895 1 4 . 1 1 17 17 LYS H H 17 8.985 8.985 8.704 0.281 18901 1896 1 4 . 1 1 18 18 SER N N 18 121.663 121.663 115.291 6.372 18901 1897 1 4 . 1 1 18 18 SER HA H 18 5.076 5.076 5.023 0.053 18901 1898 1 4 . 1 1 18 18 SER CA C 18 56.676 56.676 55.850 0.826 18901 1899 1 4 . 1 1 18 18 SER CB C 18 64.993 64.993 64.224 0.769 18901 1900 1 4 . 1 1 18 18 SER H H 18 8.555 8.555 8.201 0.354 18901 1901 1 4 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.491 -0.157 18901 1902 1 4 . 1 1 19 19 PRO C C 19 177.406 177.406 176.327 1.079 18901 1903 1 4 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.225 0.263 18901 1904 1 4 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.993 0.072 18901 1905 1 4 . 1 1 20 20 ASP N N 20 110.573 110.573 117.789 -7.216 18901 1906 1 4 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.891 -0.212 18901 1907 1 4 . 1 1 20 20 ASP C C 20 176.667 176.667 175.352 1.315 18901 1908 1 4 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.368 0.190 18901 1909 1 4 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.450 -0.027 18901 1910 1 4 . 1 1 20 20 ASP H H 20 8.019 8.019 8.433 -0.414 18901 1911 1 4 . 1 1 21 21 GLY N N 21 107.592 107.592 106.490 1.102 18901 1912 1 4 . 1 1 21 21 GLY C C 21 172.365 172.365 171.957 0.408 18901 1913 1 4 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.233 0.497 18901 1914 1 4 . 1 1 21 21 GLY H H 21 7.623 7.623 7.384 0.239 18901 1915 1 4 . 1 1 22 22 ALA N N 22 123.764 123.764 122.253 1.511 18901 1916 1 4 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.868 -0.081 18901 1917 1 4 . 1 1 22 22 ALA C C 22 175.801 175.801 175.157 0.644 18901 1918 1 4 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.738 0.041 18901 1919 1 4 . 1 1 22 22 ALA CB C 22 21.134 21.134 22.184 -1.050 18901 1920 1 4 . 1 1 22 22 ALA H H 22 8.704 8.704 7.786 0.918 18901 1921 1 4 . 1 1 23 23 HIS N N 23 120.666 120.666 118.432 2.234 18901 1922 1 4 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.694 0.287 18901 1923 1 4 . 1 1 23 23 HIS C C 23 174.199 174.199 173.755 0.444 18901 1924 1 4 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.347 -2.080 18901 1925 1 4 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.532 -1.542 18901 1926 1 4 . 1 1 23 23 HIS H H 23 9.088 9.088 8.508 0.580 18901 1927 1 4 . 1 1 24 24 LEU N N 24 127.467 127.467 125.892 1.575 18901 1928 1 4 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.879 0.301 18901 1929 1 4 . 1 1 24 24 LEU C C 24 176.430 176.430 175.014 1.416 18901 1930 1 4 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.403 1.125 18901 1931 1 4 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.902 0.055 18901 1932 1 4 . 1 1 24 24 LEU H H 24 8.702 8.702 8.396 0.306 18901 1933 1 4 . 1 1 25 25 THR N N 25 111.459 111.459 114.547 -3.088 18901 1934 1 4 . 1 1 25 25 THR HA H 25 4.186 4.186 3.982 0.204 18901 1935 1 4 . 1 1 25 25 THR C C 25 172.720 172.720 172.910 -0.190 18901 1936 1 4 . 1 1 25 25 THR CA C 25 60.798 60.798 60.175 0.623 18901 1937 1 4 . 1 1 25 25 THR CB C 25 72.021 72.021 71.389 0.632 18901 1938 1 4 . 1 1 25 25 THR H H 25 8.643 8.643 8.391 0.252 18901 1939 1 4 . 1 1 26 26 TRP N N 26 117.073 117.073 117.378 -0.305 18901 1940 1 4 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.330 -0.297 18901 1941 1 4 . 1 1 26 26 TRP C C 26 173.425 173.425 174.011 -0.586 18901 1942 1 4 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.790 0.897 18901 1943 1 4 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.555 -1.398 18901 1944 1 4 . 1 1 26 26 TRP H H 26 7.301 7.301 7.409 -0.108 18901 1945 1 4 . 1 1 27 27 GLU N N 27 115.563 115.563 119.835 -4.272 18901 1946 1 4 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.861 -0.039 18901 1947 1 4 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.253 -0.364 18901 1948 1 4 . 1 1 27 27 GLU CB C 27 30.830 30.830 31.203 -0.373 18901 1949 1 4 . 1 1 27 27 GLU H H 27 8.753 8.753 8.776 -0.023 18901 1950 1 4 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.875 -0.536 18901 1951 1 4 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.562 3.985 18901 1952 1 4 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.224 0.916 18901 1953 1 4 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.528 -0.243 18901 1954 1 4 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.937 -0.957 18901 1955 1 4 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.226 0.658 18901 1956 1 4 . 1 1 30 30 SER N N 30 110.838 110.838 118.356 -7.518 18901 1957 1 4 . 1 1 30 30 SER HA H 30 3.910 3.910 4.628 -0.718 18901 1958 1 4 . 1 1 30 30 SER CA C 30 56.967 56.967 58.457 -1.490 18901 1959 1 4 . 1 1 30 30 SER CB C 30 64.771 64.771 63.252 1.519 18901 1960 1 4 . 1 1 30 30 SER H H 30 8.317 8.317 8.754 -0.437 18901 1961 1 4 . 1 1 31 31 VAL N N 31 114.209 114.209 121.434 -7.225 18901 1962 1 4 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.243 -0.035 18901 1963 1 4 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.391 -1.611 18901 1964 1 4 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.423 0.348 18901 1965 1 4 . 1 1 31 31 VAL H H 31 8.320 8.320 8.210 0.110 18901 1966 1 4 . 1 1 32 32 THR N N 32 119.600 119.600 110.311 9.289 18901 1967 1 4 . 1 1 32 32 THR HA H 32 4.179 4.179 4.538 -0.359 18901 1968 1 4 . 1 1 32 32 THR CA C 32 60.465 60.465 60.776 -0.311 18901 1969 1 4 . 1 1 32 32 THR CB C 32 63.211 63.211 71.020 -7.809 18901 1970 1 4 . 1 1 32 32 THR H H 32 7.828 7.828 7.585 0.243 18901 1971 1 4 . 1 1 33 33 SER N N 33 115.967 115.967 117.002 -1.035 18901 1972 1 4 . 1 1 33 33 SER HA H 33 4.179 4.179 4.207 -0.028 18901 1973 1 4 . 1 1 33 33 SER C C 33 174.332 174.332 175.693 -1.361 18901 1974 1 4 . 1 1 33 33 SER CA C 33 60.428 60.428 59.486 0.942 18901 1975 1 4 . 1 1 33 33 SER CB C 33 62.209 62.209 63.040 -0.831 18901 1976 1 4 . 1 1 33 33 SER H H 33 8.292 8.292 8.406 -0.114 18901 1977 1 4 . 1 1 34 34 GLY N N 34 106.879 106.879 110.758 -3.879 18901 1978 1 4 . 1 1 34 34 GLY C C 34 173.709 173.709 173.044 0.665 18901 1979 1 4 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.712 -0.341 18901 1980 1 4 . 1 1 34 34 GLY H H 34 7.848 7.848 8.237 -0.389 18901 1981 1 4 . 1 1 35 35 LYS N N 35 122.205 122.205 120.389 1.816 18901 1982 1 4 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.472 -0.162 18901 1983 1 4 . 1 1 35 35 LYS C C 35 176.262 176.262 175.090 1.172 18901 1984 1 4 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.607 0.064 18901 1985 1 4 . 1 1 35 35 LYS CB C 35 34.247 34.247 33.787 0.460 18901 1986 1 4 . 1 1 35 35 LYS H H 35 8.628 8.628 8.183 0.445 18901 1987 1 4 . 1 1 36 36 ILE N N 36 120.178 120.178 123.429 -3.251 18901 1988 1 4 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.210 -0.089 18901 1989 1 4 . 1 1 36 36 ILE C C 36 177.751 177.751 176.830 0.921 18901 1990 1 4 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.070 -2.149 18901 1991 1 4 . 1 1 36 36 ILE CB C 36 35.312 35.312 39.148 -3.836 18901 1992 1 4 . 1 1 36 36 ILE H H 36 8.344 8.344 8.469 -0.125 18901 1993 1 4 . 1 1 37 37 ILE N N 37 122.285 122.285 121.033 1.252 18901 1994 1 4 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.542 -0.325 18901 1995 1 4 . 1 1 37 37 ILE C C 37 176.085 176.085 176.094 -0.009 18901 1996 1 4 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.506 -0.564 18901 1997 1 4 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.227 -0.428 18901 1998 1 4 . 1 1 37 37 ILE H H 37 8.460 8.460 8.856 -0.396 18901 1999 1 4 . 1 1 38 38 GLU N N 38 116.489 116.489 118.141 -1.652 18901 2000 1 4 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.667 -0.498 18901 2001 1 4 . 1 1 38 38 GLU C C 38 171.864 171.864 174.090 -2.226 18901 2002 1 4 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.619 0.357 18901 2003 1 4 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.497 0.983 18901 2004 1 4 . 1 1 38 38 GLU H H 38 7.143 7.143 7.528 -0.385 18901 2005 1 4 . 1 1 39 39 TYR N N 39 118.418 118.418 117.898 0.520 18901 2006 1 4 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.263 0.432 18901 2007 1 4 . 1 1 39 39 TYR C C 39 176.190 176.190 174.639 1.551 18901 2008 1 4 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.272 -0.361 18901 2009 1 4 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.876 0.860 18901 2010 1 4 . 1 1 39 39 TYR H H 39 8.860 8.860 8.590 0.270 18901 2011 1 4 . 1 1 40 40 SER N N 40 111.613 111.613 114.905 -3.292 18901 2012 1 4 . 1 1 40 40 SER HA H 40 5.497 5.497 4.068 1.429 18901 2013 1 4 . 1 1 40 40 SER C C 40 172.888 172.888 171.815 1.073 18901 2014 1 4 . 1 1 40 40 SER CA C 40 58.729 58.729 56.278 2.451 18901 2015 1 4 . 1 1 40 40 SER CB C 40 69.596 69.596 65.495 4.101 18901 2016 1 4 . 1 1 40 40 SER H H 40 8.705 8.705 9.011 -0.306 18901 2017 1 4 . 1 1 41 41 VAL N N 41 119.202 119.202 122.541 -3.339 18901 2018 1 4 . 1 1 41 41 VAL HA H 41 4.836 4.836 5.060 -0.224 18901 2019 1 4 . 1 1 41 41 VAL C C 41 175.106 175.106 174.645 0.461 18901 2020 1 4 . 1 1 41 41 VAL CA C 41 60.666 60.666 60.471 0.195 18901 2021 1 4 . 1 1 41 41 VAL CB C 41 34.691 34.691 35.500 -0.809 18901 2022 1 4 . 1 1 41 41 VAL H H 41 8.428 8.428 8.155 0.273 18901 2023 1 4 . 1 1 42 42 TYR N N 42 124.792 124.792 122.225 2.567 18901 2024 1 4 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.430 0.066 18901 2025 1 4 . 1 1 42 42 TYR C C 42 174.659 174.659 174.087 0.572 18901 2026 1 4 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.274 -0.514 18901 2027 1 4 . 1 1 42 42 TYR CB C 42 42.396 42.396 42.417 -0.021 18901 2028 1 4 . 1 1 42 42 TYR H H 42 9.773 9.773 9.182 0.591 18901 2029 1 4 . 1 1 43 43 LEU N N 43 123.210 123.210 121.912 1.298 18901 2030 1 4 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.954 0.299 18901 2031 1 4 . 1 1 43 43 LEU C C 43 176.296 176.296 175.334 0.962 18901 2032 1 4 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.605 0.741 18901 2033 1 4 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.825 1.724 18901 2034 1 4 . 1 1 43 43 LEU H H 43 9.368 9.368 9.107 0.261 18901 2035 1 4 . 1 1 44 44 ALA N N 44 127.556 127.556 127.348 0.208 18901 2036 1 4 . 1 1 44 44 ALA HA H 44 4.324 4.324 5.012 -0.688 18901 2037 1 4 . 1 1 44 44 ALA C C 44 178.318 178.318 177.290 1.028 18901 2038 1 4 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.793 -1.049 18901 2039 1 4 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.351 -0.702 18901 2040 1 4 . 1 1 44 44 ALA H H 44 8.366 8.366 8.204 0.162 18901 2041 1 4 . 1 1 45 45 ILE N N 45 119.672 119.672 118.529 1.143 18901 2042 1 4 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.205 -0.463 18901 2043 1 4 . 1 1 45 45 ILE C C 45 175.937 175.937 176.538 -0.601 18901 2044 1 4 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.683 0.437 18901 2045 1 4 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.174 0.615 18901 2046 1 4 . 1 1 45 45 ILE H H 45 8.599 8.599 7.747 0.852 18901 2047 1 4 . 1 1 46 46 GLN N N 46 120.248 120.248 119.441 0.807 18901 2048 1 4 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.443 -0.036 18901 2049 1 4 . 1 1 46 46 GLN C C 46 176.355 176.355 175.305 1.050 18901 2050 1 4 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.219 -1.405 18901 2051 1 4 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.754 2.086 18901 2052 1 4 . 1 1 46 46 GLN H H 46 8.207 8.207 8.775 -0.568 18901 2053 1 4 . 1 1 47 47 SER N N 47 117.541 117.541 115.268 2.273 18901 2054 1 4 . 1 1 47 47 SER HA H 47 4.445 4.445 4.608 -0.163 18901 2055 1 4 . 1 1 47 47 SER C C 47 175.100 175.100 173.008 2.092 18901 2056 1 4 . 1 1 47 47 SER CA C 47 57.957 57.957 57.461 0.496 18901 2057 1 4 . 1 1 47 47 SER CB C 47 64.188 64.188 64.200 -0.012 18901 2058 1 4 . 1 1 47 47 SER H H 47 8.316 8.316 7.394 0.922 18901 2059 1 4 . 1 1 48 48 SER N N 48 116.421 116.421 121.148 -4.727 18901 2060 1 4 . 1 1 48 48 SER HA H 48 4.446 4.446 4.625 -0.179 18901 2061 1 4 . 1 1 48 48 SER CA C 48 58.395 58.395 57.867 0.528 18901 2062 1 4 . 1 1 48 48 SER CB C 48 63.932 63.932 63.477 0.455 18901 2063 1 4 . 1 1 48 48 SER H H 48 8.096 8.096 8.483 -0.387 18901 2064 1 4 . 1 1 49 49 GLN N N 49 120.755 120.755 123.544 -2.789 18901 2065 1 4 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.597 -0.286 18901 2066 1 4 . 1 1 49 49 GLN C C 49 176.420 176.420 173.881 2.539 18901 2067 1 4 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.723 0.119 18901 2068 1 4 . 1 1 49 49 GLN CB C 49 29.751 29.751 32.182 -2.431 18901 2069 1 4 . 1 1 49 49 GLN H H 49 8.308 8.308 8.502 -0.194 18901 2070 1 4 . 1 1 50 50 ALA N N 50 124.199 124.199 123.965 0.234 18901 2071 1 4 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.733 -0.421 18901 2072 1 4 . 1 1 50 50 ALA C C 50 178.375 178.375 176.275 2.100 18901 2073 1 4 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.093 0.527 18901 2074 1 4 . 1 1 50 50 ALA CB C 50 19.453 19.453 20.396 -0.943 18901 2075 1 4 . 1 1 50 50 ALA H H 50 8.219 8.219 8.340 -0.121 18901 2076 1 4 . 1 1 51 51 SER N N 51 113.652 113.652 113.953 -0.301 18901 2077 1 4 . 1 1 51 51 SER HA H 51 4.307 4.307 4.854 -0.547 18901 2078 1 4 . 1 1 51 51 SER C C 51 175.739 175.739 174.738 1.001 18901 2079 1 4 . 1 1 51 51 SER CA C 51 52.695 52.695 59.276 -6.581 18901 2080 1 4 . 1 1 51 51 SER CB C 51 62.104 62.104 64.063 -1.959 18901 2081 1 4 . 1 1 51 51 SER H H 51 8.148 8.148 9.234 -1.086 18901 2082 1 4 . 1 1 52 52 GLY N N 52 109.442 109.442 110.343 -0.901 18901 2083 1 4 . 1 1 52 52 GLY C C 52 174.511 174.511 173.687 0.824 18901 2084 1 4 . 1 1 52 52 GLY CA C 52 45.398 45.398 44.543 0.855 18901 2085 1 4 . 1 1 52 52 GLY H H 52 8.267 8.267 7.708 0.559 18901 2086 1 4 . 1 1 53 53 GLU N N 53 120.137 120.137 121.901 -1.764 18901 2087 1 4 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.365 0.188 18901 2088 1 4 . 1 1 53 53 GLU CA C 53 54.055 54.055 55.767 -1.712 18901 2089 1 4 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.059 -0.215 18901 2090 1 4 . 1 1 53 53 GLU H H 53 7.951 7.951 8.265 -0.314 18901 2091 1 4 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.458 -0.093 18901 2092 1 4 . 1 1 54 54 PRO C C 54 177.830 177.830 175.939 1.891 18901 2093 1 4 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.319 0.390 18901 2094 1 4 . 1 1 54 54 PRO CB C 54 32.712 32.712 30.390 2.321 18901 2095 1 4 . 1 1 55 55 LYS N N 55 119.406 119.406 118.916 0.490 18901 2096 1 4 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.918 0.347 18901 2097 1 4 . 1 1 55 55 LYS C C 55 177.347 177.347 175.756 1.591 18901 2098 1 4 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.237 -0.540 18901 2099 1 4 . 1 1 55 55 LYS CB C 55 33.246 33.246 29.738 3.508 18901 2100 1 4 . 1 1 55 55 LYS H H 55 8.315 8.315 8.229 0.086 18901 2101 1 4 . 1 1 56 56 SER N N 56 114.624 114.624 113.887 0.737 18901 2102 1 4 . 1 1 56 56 SER HA H 56 4.564 4.564 4.404 0.160 18901 2103 1 4 . 1 1 56 56 SER C C 56 175.285 175.285 174.866 0.419 18901 2104 1 4 . 1 1 56 56 SER CA C 56 60.090 60.090 58.255 1.835 18901 2105 1 4 . 1 1 56 56 SER CB C 56 63.305 63.305 63.821 -0.515 18901 2106 1 4 . 1 1 56 56 SER H H 56 8.090 8.090 8.154 -0.064 18901 2107 1 4 . 1 1 57 57 SER N N 57 116.016 116.016 115.516 0.500 18901 2108 1 4 . 1 1 57 57 SER HA H 57 4.455 4.455 4.212 0.243 18901 2109 1 4 . 1 1 57 57 SER C C 57 174.988 174.988 173.744 1.244 18901 2110 1 4 . 1 1 57 57 SER CA C 57 58.332 58.332 59.248 -0.916 18901 2111 1 4 . 1 1 57 57 SER CB C 57 63.876 63.876 62.445 1.431 18901 2112 1 4 . 1 1 57 57 SER H H 57 8.224 8.224 8.267 -0.043 18901 2113 1 4 . 1 1 58 58 THR N N 58 116.090 116.090 108.913 7.177 18901 2114 1 4 . 1 1 58 58 THR HA H 58 4.602 4.602 4.092 0.510 18901 2115 1 4 . 1 1 58 58 THR CA C 58 59.935 59.935 62.431 -2.496 18901 2116 1 4 . 1 1 58 58 THR CB C 58 69.773 69.773 67.492 2.281 18901 2117 1 4 . 1 1 58 58 THR H H 58 7.939 7.939 8.405 -0.466 18901 2118 1 4 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.407 -0.126 18901 2119 1 4 . 1 1 59 59 PRO C C 59 177.272 177.272 176.756 0.516 18901 2120 1 4 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.710 -0.634 18901 2121 1 4 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.276 2.502 18901 2122 1 4 . 1 1 60 60 ALA N N 60 122.319 122.319 128.460 -6.141 18901 2123 1 4 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.034 0.185 18901 2124 1 4 . 1 1 60 60 ALA C C 60 178.277 178.277 176.399 1.878 18901 2125 1 4 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.588 -0.088 18901 2126 1 4 . 1 1 60 60 ALA CB C 60 19.459 19.459 18.514 0.945 18901 2127 1 4 . 1 1 60 60 ALA H H 60 8.156 8.156 7.968 0.188 18901 2128 1 4 . 1 1 61 61 GLN N N 61 117.680 117.680 120.220 -2.540 18901 2129 1 4 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.350 -0.072 18901 2130 1 4 . 1 1 61 61 GLN C C 61 176.148 176.148 174.598 1.550 18901 2131 1 4 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.993 -0.468 18901 2132 1 4 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.593 0.451 18901 2133 1 4 . 1 1 61 61 GLN H H 61 8.016 8.016 8.343 -0.327 18901 2134 1 4 . 1 1 62 62 LEU N N 62 121.805 121.805 116.698 5.107 18901 2135 1 4 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.440 -0.311 18901 2136 1 4 . 1 1 62 62 LEU C C 62 176.202 176.202 174.482 1.720 18901 2137 1 4 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.865 1.709 18901 2138 1 4 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.471 -0.181 18901 2139 1 4 . 1 1 62 62 LEU H H 62 7.968 7.968 8.144 -0.176 18901 2140 1 4 . 1 1 63 63 ALA N N 63 124.947 124.947 121.950 2.997 18901 2141 1 4 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.466 0.030 18901 2142 1 4 . 1 1 63 63 ALA C C 63 176.252 176.252 175.375 0.877 18901 2143 1 4 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.188 -0.390 18901 2144 1 4 . 1 1 63 63 ALA CB C 63 20.646 20.646 18.637 2.009 18901 2145 1 4 . 1 1 63 63 ALA H H 63 8.434 8.434 7.361 1.073 18901 2146 1 4 . 1 1 64 64 PHE N N 64 117.099 117.099 120.342 -3.243 18901 2147 1 4 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.964 0.120 18901 2148 1 4 . 1 1 64 64 PHE C C 64 176.403 176.403 174.934 1.469 18901 2149 1 4 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.970 1.763 18901 2150 1 4 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.271 0.539 18901 2151 1 4 . 1 1 64 64 PHE H H 64 8.446 8.446 7.916 0.530 18901 2152 1 4 . 1 1 65 65 MET N N 65 120.470 120.470 122.756 -2.286 18901 2153 1 4 . 1 1 65 65 MET HA H 65 4.902 4.902 4.878 0.024 18901 2154 1 4 . 1 1 65 65 MET CA C 65 53.984 53.984 55.216 -1.232 18901 2155 1 4 . 1 1 65 65 MET CB C 65 36.825 36.825 35.987 0.838 18901 2156 1 4 . 1 1 65 65 MET H H 65 9.050 9.050 9.079 -0.029 18901 2157 1 4 . 1 1 66 66 ARG N N 66 120.685 120.685 127.087 -6.402 18901 2158 1 4 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.062 0.081 18901 2159 1 4 . 1 1 66 66 ARG C C 66 176.916 176.916 174.746 2.170 18901 2160 1 4 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.222 1.740 18901 2161 1 4 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.984 3.088 18901 2162 1 4 . 1 1 66 66 ARG H H 66 7.540 7.540 8.715 -1.175 18901 2163 1 4 . 1 1 67 67 VAL N N 67 117.677 117.677 122.051 -4.374 18901 2164 1 4 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.857 0.857 18901 2165 1 4 . 1 1 67 67 VAL C C 67 175.777 175.777 175.466 0.311 18901 2166 1 4 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.160 -3.241 18901 2167 1 4 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.409 1.005 18901 2168 1 4 . 1 1 67 67 VAL H H 67 8.859 8.859 7.913 0.946 18901 2169 1 4 . 1 1 68 68 TYR N N 68 120.707 120.707 119.505 1.202 18901 2170 1 4 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.339 0.438 18901 2171 1 4 . 1 1 68 68 TYR C C 68 173.712 173.712 175.733 -2.021 18901 2172 1 4 . 1 1 68 68 TYR CA C 68 58.305 58.305 58.986 -0.681 18901 2173 1 4 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.819 4.237 18901 2174 1 4 . 1 1 68 68 TYR H H 68 7.539 7.539 7.566 -0.027 18901 2175 1 4 . 1 1 69 69 CYS N N 69 127.927 127.927 126.313 1.614 18901 2176 1 4 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.406 0.663 18901 2177 1 4 . 1 1 69 69 CYS C C 69 174.094 174.094 173.071 1.023 18901 2178 1 4 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.875 -1.685 18901 2179 1 4 . 1 1 69 69 CYS CB C 69 27.990 27.990 27.496 0.494 18901 2180 1 4 . 1 1 69 69 CYS H H 69 7.601 7.601 8.447 -0.846 18901 2181 1 4 . 1 1 70 70 GLY N N 70 114.822 114.822 109.192 5.630 18901 2182 1 4 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.786 2.360 18901 2183 1 4 . 1 1 70 70 GLY H H 70 8.336 8.336 6.869 1.467 18901 2184 1 4 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.503 0.045 18901 2185 1 4 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.622 0.042 18901 2186 1 4 . 1 1 72 72 SER N N 72 112.451 112.451 116.971 -4.520 18901 2187 1 4 . 1 1 72 72 SER HA H 72 4.850 4.850 4.711 0.139 18901 2188 1 4 . 1 1 72 72 SER CA C 72 56.874 56.874 56.416 0.458 18901 2189 1 4 . 1 1 72 72 SER CB C 72 63.248 63.248 63.708 -0.460 18901 2190 1 4 . 1 1 72 72 SER H H 72 7.327 7.327 7.737 -0.410 18901 2191 1 4 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.670 -0.477 18901 2192 1 4 . 1 1 73 73 PRO CA C 73 63.555 63.555 64.179 -0.624 18901 2193 1 4 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.069 0.167 18901 2194 1 4 . 1 1 74 74 SER N N 74 111.450 111.450 116.756 -5.306 18901 2195 1 4 . 1 1 74 74 SER HA H 74 3.907 3.907 3.521 0.386 18901 2196 1 4 . 1 1 74 74 SER CA C 74 56.710 56.710 57.475 -0.765 18901 2197 1 4 . 1 1 74 74 SER CB C 74 64.647 64.647 61.303 3.344 18901 2198 1 4 . 1 1 74 74 SER H H 74 6.909 6.909 8.057 -1.148 18901 2199 1 4 . 1 1 75 75 CYS N N 75 124.103 124.103 121.092 3.011 18901 2200 1 4 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.400 -0.841 18901 2201 1 4 . 1 1 75 75 CYS C C 75 171.568 171.568 173.773 -2.205 18901 2202 1 4 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.592 3.608 18901 2203 1 4 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.950 -2.699 18901 2204 1 4 . 1 1 75 75 CYS H H 75 6.017 6.017 8.023 -2.006 18901 2205 1 4 . 1 1 76 76 LEU N N 76 121.191 121.191 117.955 3.236 18901 2206 1 4 . 1 1 76 76 LEU HA H 76 4.823 4.823 5.038 -0.215 18901 2207 1 4 . 1 1 76 76 LEU C C 76 176.786 176.786 175.131 1.655 18901 2208 1 4 . 1 1 76 76 LEU CA C 76 53.365 53.365 53.651 -0.285 18901 2209 1 4 . 1 1 76 76 LEU CB C 76 44.226 44.226 44.039 0.187 18901 2210 1 4 . 1 1 76 76 LEU H H 76 8.015 8.015 7.801 0.214 18901 2211 1 4 . 1 1 77 77 VAL N N 77 126.347 126.347 118.142 8.205 18901 2212 1 4 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.492 -0.240 18901 2213 1 4 . 1 1 77 77 VAL C C 77 175.529 175.529 175.011 0.518 18901 2214 1 4 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.892 0.759 18901 2215 1 4 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.526 -2.850 18901 2216 1 4 . 1 1 77 77 VAL H H 77 9.084 9.084 8.394 0.690 18901 2217 1 4 . 1 1 78 78 GLN N N 78 124.566 124.566 122.996 1.570 18901 2218 1 4 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.651 -0.136 18901 2219 1 4 . 1 1 78 78 GLN C C 78 178.805 178.805 177.007 1.798 18901 2220 1 4 . 1 1 78 78 GLN CA C 78 56.916 56.916 54.471 2.445 18901 2221 1 4 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.786 0.612 18901 2222 1 4 . 1 1 78 78 GLN H H 78 8.908 8.908 8.696 0.212 18901 2223 1 4 . 1 1 79 79 SER N N 79 116.974 116.974 117.064 -0.090 18901 2224 1 4 . 1 1 79 79 SER HA H 79 4.087 4.087 4.050 0.037 18901 2225 1 4 . 1 1 79 79 SER C C 79 177.179 177.179 176.246 0.933 18901 2226 1 4 . 1 1 79 79 SER CA C 79 62.454 62.454 62.094 0.360 18901 2227 1 4 . 1 1 79 79 SER CB C 79 62.787 62.787 62.862 -0.075 18901 2228 1 4 . 1 1 79 79 SER H H 79 8.458 8.458 9.061 -0.603 18901 2229 1 4 . 1 1 80 80 SER N N 80 114.734 114.734 117.159 -2.425 18901 2230 1 4 . 1 1 80 80 SER HA H 80 4.211 4.211 4.274 -0.063 18901 2231 1 4 . 1 1 80 80 SER C C 80 177.853 177.853 175.945 1.908 18901 2232 1 4 . 1 1 80 80 SER CA C 80 61.190 61.190 61.462 -0.272 18901 2233 1 4 . 1 1 80 80 SER CB C 80 62.358 62.358 62.631 -0.273 18901 2234 1 4 . 1 1 80 80 SER H H 80 8.537 8.537 8.673 -0.136 18901 2235 1 4 . 1 1 81 81 SER N N 81 117.137 117.137 116.755 0.382 18901 2236 1 4 . 1 1 81 81 SER HA H 81 4.455 4.455 4.334 0.121 18901 2237 1 4 . 1 1 81 81 SER C C 81 175.702 175.702 176.684 -0.982 18901 2238 1 4 . 1 1 81 81 SER CA C 81 61.433 61.433 61.474 -0.041 18901 2239 1 4 . 1 1 81 81 SER CB C 81 63.130 63.130 63.047 0.083 18901 2240 1 4 . 1 1 81 81 SER H H 81 7.514 7.514 8.091 -0.577 18901 2241 1 4 . 1 1 82 82 LEU N N 82 117.548 117.548 124.183 -6.635 18901 2242 1 4 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.069 -0.036 18901 2243 1 4 . 1 1 82 82 LEU C C 82 179.445 179.445 178.957 0.488 18901 2244 1 4 . 1 1 82 82 LEU CA C 82 56.702 56.702 58.038 -1.336 18901 2245 1 4 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.944 -0.156 18901 2246 1 4 . 1 1 82 82 LEU H H 82 7.629 7.629 8.132 -0.503 18901 2247 1 4 . 1 1 83 83 SER N N 83 113.258 113.258 114.032 -0.774 18901 2248 1 4 . 1 1 83 83 SER HA H 83 4.214 4.214 4.331 -0.117 18901 2249 1 4 . 1 1 83 83 SER C C 83 175.256 175.256 174.758 0.498 18901 2250 1 4 . 1 1 83 83 SER CA C 83 61.192 61.192 60.347 0.845 18901 2251 1 4 . 1 1 83 83 SER CB C 83 63.544 63.544 63.016 0.528 18901 2252 1 4 . 1 1 83 83 SER H H 83 7.805 7.805 8.660 -0.855 18901 2253 1 4 . 1 1 84 84 ASN N N 84 116.565 116.565 117.830 -1.265 18901 2254 1 4 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.882 0.040 18901 2255 1 4 . 1 1 84 84 ASN C C 84 175.063 175.063 173.454 1.609 18901 2256 1 4 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.321 -0.649 18901 2257 1 4 . 1 1 84 84 ASN CB C 84 39.691 39.691 40.721 -1.030 18901 2258 1 4 . 1 1 84 84 ASN H H 84 7.612 7.612 7.732 -0.120 18901 2259 1 4 . 1 1 85 85 ALA N N 85 119.819 119.819 122.841 -3.022 18901 2260 1 4 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.566 -0.317 18901 2261 1 4 . 1 1 85 85 ALA C C 85 178.113 178.113 177.386 0.727 18901 2262 1 4 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.913 1.152 18901 2263 1 4 . 1 1 85 85 ALA CB C 85 19.820 19.820 18.896 0.924 18901 2264 1 4 . 1 1 85 85 ALA H H 85 7.558 7.558 7.507 0.051 18901 2265 1 4 . 1 1 86 86 HIS N N 86 118.388 118.388 125.372 -6.984 18901 2266 1 4 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.469 -0.064 18901 2267 1 4 . 1 1 86 86 HIS C C 86 175.333 175.333 174.768 0.565 18901 2268 1 4 . 1 1 86 86 HIS CA C 86 55.619 55.619 57.327 -1.708 18901 2269 1 4 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.179 -1.981 18901 2270 1 4 . 1 1 86 86 HIS H H 86 8.280 8.280 8.426 -0.146 18901 2271 1 4 . 1 1 87 87 ILE N N 87 126.618 126.618 125.270 1.348 18901 2272 1 4 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.648 -0.593 18901 2273 1 4 . 1 1 87 87 ILE C C 87 174.718 174.718 176.212 -1.494 18901 2274 1 4 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.448 0.979 18901 2275 1 4 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.790 -1.348 18901 2276 1 4 . 1 1 87 87 ILE H H 87 7.873 7.873 8.247 -0.374 18901 2277 1 4 . 1 1 88 88 ASP N N 88 124.684 124.684 125.691 -1.007 18901 2278 1 4 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.621 -0.109 18901 2279 1 4 . 1 1 88 88 ASP C C 88 176.506 176.506 175.504 1.002 18901 2280 1 4 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.413 -1.177 18901 2281 1 4 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.403 1.358 18901 2282 1 4 . 1 1 88 88 ASP H H 88 8.572 8.572 8.793 -0.221 18901 2283 1 4 . 1 1 89 89 TYR N N 89 122.959 122.959 124.547 -1.588 18901 2284 1 4 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.790 -0.411 18901 2285 1 4 . 1 1 89 89 TYR C C 89 176.631 176.631 176.303 0.328 18901 2286 1 4 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.933 0.696 18901 2287 1 4 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.519 -1.057 18901 2288 1 4 . 1 1 89 89 TYR H H 89 8.533 8.533 8.656 -0.123 18901 2289 1 4 . 1 1 90 90 THR N N 90 115.232 115.232 117.397 -2.165 18901 2290 1 4 . 1 1 90 90 THR HA H 90 3.974 3.974 4.191 -0.217 18901 2291 1 4 . 1 1 90 90 THR C C 90 176.298 176.298 175.363 0.935 18901 2292 1 4 . 1 1 90 90 THR CA C 90 65.610 65.610 65.349 0.261 18901 2293 1 4 . 1 1 90 90 THR CB C 90 68.758 68.758 69.201 -0.443 18901 2294 1 4 . 1 1 90 90 THR H H 90 8.024 8.024 9.077 -1.053 18901 2295 1 4 . 1 1 91 91 THR N N 91 112.253 112.253 112.740 -0.487 18901 2296 1 4 . 1 1 91 91 THR HA H 91 4.290 4.290 4.421 -0.131 18901 2297 1 4 . 1 1 91 91 THR C C 91 174.644 174.644 173.835 0.809 18901 2298 1 4 . 1 1 91 91 THR CA C 91 61.288 61.288 62.711 -1.423 18901 2299 1 4 . 1 1 91 91 THR CB C 91 69.418 69.418 71.064 -1.646 18901 2300 1 4 . 1 1 91 91 THR H H 91 8.013 8.013 7.856 0.157 18901 2301 1 4 . 1 1 92 92 LYS N N 92 121.833 121.833 121.707 0.126 18901 2302 1 4 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.720 -0.261 18901 2303 1 4 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.470 0.962 18901 2304 1 4 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.605 -6.182 18901 2305 1 4 . 1 1 92 92 LYS H H 92 7.883 7.883 8.033 -0.150 18901 2306 1 4 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.608 -0.397 18901 2307 1 4 . 1 1 93 93 PRO C C 93 176.775 176.775 175.345 1.430 18901 2308 1 4 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.692 0.693 18901 2309 1 4 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.972 1.242 18901 2310 1 4 . 1 1 94 94 ALA N N 94 122.487 122.487 124.708 -2.221 18901 2311 1 4 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.822 0.043 18901 2312 1 4 . 1 1 94 94 ALA C C 94 175.790 175.790 175.186 0.604 18901 2313 1 4 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.485 0.526 18901 2314 1 4 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.585 0.255 18901 2315 1 4 . 1 1 94 94 ALA H H 94 8.072 8.072 7.741 0.331 18901 2316 1 4 . 1 1 95 95 ILE N N 95 120.526 120.526 120.398 0.128 18901 2317 1 4 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.892 -0.601 18901 2318 1 4 . 1 1 95 95 ILE C C 95 175.063 175.063 175.319 -0.256 18901 2319 1 4 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.138 0.292 18901 2320 1 4 . 1 1 95 95 ILE CB C 95 40.656 40.656 40.801 -0.145 18901 2321 1 4 . 1 1 95 95 ILE H H 95 8.099 8.099 7.943 0.156 18901 2322 1 4 . 1 1 96 96 ILE N N 96 126.053 126.053 126.308 -0.255 18901 2323 1 4 . 1 1 96 96 ILE HA H 96 4.954 4.954 5.047 -0.093 18901 2324 1 4 . 1 1 96 96 ILE C C 96 175.609 175.609 175.087 0.522 18901 2325 1 4 . 1 1 96 96 ILE CA C 96 60.290 60.290 58.738 1.552 18901 2326 1 4 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.528 2.372 18901 2327 1 4 . 1 1 96 96 ILE H H 96 9.393 9.393 8.260 1.133 18901 2328 1 4 . 1 1 97 97 PHE N N 97 120.455 120.455 126.841 -6.386 18901 2329 1 4 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.272 0.745 18901 2330 1 4 . 1 1 97 97 PHE C C 97 177.044 177.044 175.237 1.807 18901 2331 1 4 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.301 -0.532 18901 2332 1 4 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.692 0.994 18901 2333 1 4 . 1 1 97 97 PHE H H 97 8.626 8.626 8.830 -0.204 18901 2334 1 4 . 1 1 98 98 ARG N N 98 117.253 117.253 119.838 -2.585 18901 2335 1 4 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.934 0.507 18901 2336 1 4 . 1 1 98 98 ARG C C 98 176.125 176.125 174.532 1.593 18901 2337 1 4 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.981 -0.018 18901 2338 1 4 . 1 1 98 98 ARG CB C 98 35.621 35.621 33.243 2.378 18901 2339 1 4 . 1 1 98 98 ARG H H 98 9.041 9.041 8.802 0.239 18901 2340 1 4 . 1 1 99 99 ILE N N 99 120.894 120.894 123.177 -2.283 18901 2341 1 4 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.834 0.185 18901 2342 1 4 . 1 1 99 99 ILE C C 99 174.486 174.486 173.821 0.665 18901 2343 1 4 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.619 1.315 18901 2344 1 4 . 1 1 99 99 ILE CB C 99 41.415 41.415 41.469 -0.054 18901 2345 1 4 . 1 1 99 99 ILE H H 99 8.499 8.499 8.148 0.351 18901 2346 1 4 . 1 1 100 100 ALA N N 100 127.368 127.368 126.732 0.636 18901 2347 1 4 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.816 0.072 18901 2348 1 4 . 1 1 100 100 ALA C C 100 175.044 175.044 174.867 0.177 18901 2349 1 4 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.505 0.851 18901 2350 1 4 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.311 1.279 18901 2351 1 4 . 1 1 100 100 ALA H H 100 8.779 8.779 8.805 -0.026 18901 2352 1 4 . 1 1 101 101 ALA N N 101 123.472 123.472 122.766 0.706 18901 2353 1 4 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.463 1.655 18901 2354 1 4 . 1 1 101 101 ALA C C 101 174.314 174.314 176.556 -2.242 18901 2355 1 4 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.132 -0.564 18901 2356 1 4 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.326 5.295 18901 2357 1 4 . 1 1 101 101 ALA H H 101 9.955 9.955 8.553 1.402 18901 2358 1 4 . 1 1 102 102 ARG N N 102 119.295 119.295 124.257 -4.962 18901 2359 1 4 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.998 0.593 18901 2360 1 4 . 1 1 102 102 ARG C C 102 176.649 176.649 174.654 1.995 18901 2361 1 4 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.928 -0.857 18901 2362 1 4 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.824 3.346 18901 2363 1 4 . 1 1 102 102 ARG H H 102 8.474 8.474 8.180 0.294 18901 2364 1 4 . 1 1 103 103 ASN N N 103 124.198 124.198 122.825 1.373 18901 2365 1 4 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.183 0.271 18901 2366 1 4 . 1 1 103 103 ASN C C 103 176.327 176.327 174.561 1.766 18901 2367 1 4 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.286 0.018 18901 2368 1 4 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.031 -1.372 18901 2369 1 4 . 1 1 103 103 ASN H H 103 7.816 7.816 8.006 -0.190 18901 2370 1 4 . 1 1 104 104 GLU N N 104 115.270 115.270 119.106 -3.836 18901 2371 1 4 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.888 -0.035 18901 2372 1 4 . 1 1 104 104 GLU C C 104 177.716 177.716 178.362 -0.646 18901 2373 1 4 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.909 0.996 18901 2374 1 4 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.779 -0.615 18901 2375 1 4 . 1 1 104 104 GLU H H 104 9.416 9.416 8.142 1.274 18901 2376 1 4 . 1 1 105 105 LYS N N 105 116.576 116.576 116.540 0.036 18901 2377 1 4 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.054 0.208 18901 2378 1 4 . 1 1 105 105 LYS C C 105 177.667 177.667 176.286 1.381 18901 2379 1 4 . 1 1 105 105 LYS CA C 105 57.055 57.055 57.059 -0.004 18901 2380 1 4 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.730 0.321 18901 2381 1 4 . 1 1 105 105 LYS H H 105 7.737 7.737 8.025 -0.288 18901 2382 1 4 . 1 1 106 106 GLY N N 106 104.067 104.067 104.086 -0.019 18901 2383 1 4 . 1 1 106 106 GLY C C 106 172.796 172.796 174.617 -1.821 18901 2384 1 4 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.386 1.530 18901 2385 1 4 . 1 1 106 106 GLY H H 106 7.906 7.906 7.188 0.718 18901 2386 1 4 . 1 1 107 107 TYR N N 107 117.296 117.296 124.015 -6.719 18901 2387 1 4 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.418 0.331 18901 2388 1 4 . 1 1 107 107 TYR C C 107 178.772 178.772 176.511 2.261 18901 2389 1 4 . 1 1 107 107 TYR CA C 107 59.800 59.800 57.195 2.605 18901 2390 1 4 . 1 1 107 107 TYR CB C 107 40.566 40.566 37.220 3.346 18901 2391 1 4 . 1 1 107 107 TYR H H 107 8.378 8.378 8.602 -0.224 18901 2392 1 4 . 1 1 108 108 GLY N N 108 107.379 107.379 107.252 0.127 18901 2393 1 4 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.449 -0.187 18901 2394 1 4 . 1 1 108 108 GLY H H 108 8.651 8.651 7.417 1.234 18901 2395 1 4 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.633 -0.688 18901 2396 1 4 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.685 0.186 18901 2397 1 4 . 1 1 110 110 ALA C C 110 179.404 179.404 177.079 2.325 18901 2398 1 4 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.297 -0.028 18901 2399 1 4 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.802 -1.687 18901 2400 1 4 . 1 1 111 111 THR N N 111 118.432 118.432 120.434 -2.002 18901 2401 1 4 . 1 1 111 111 THR HA H 111 4.396 4.396 4.144 0.252 18901 2402 1 4 . 1 1 111 111 THR C C 111 173.449 173.449 174.168 -0.719 18901 2403 1 4 . 1 1 111 111 THR CA C 111 61.721 61.721 63.059 -1.338 18901 2404 1 4 . 1 1 111 111 THR CB C 111 69.967 69.967 68.764 1.203 18901 2405 1 4 . 1 1 111 111 THR H H 111 8.810 8.810 8.382 0.428 18901 2406 1 4 . 1 1 112 112 GLN N N 112 127.590 127.590 129.362 -1.772 18901 2407 1 4 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.555 0.782 18901 2408 1 4 . 1 1 112 112 GLN C C 112 175.442 175.442 175.327 0.115 18901 2409 1 4 . 1 1 112 112 GLN CA C 112 54.803 54.803 56.175 -1.372 18901 2410 1 4 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.974 2.779 18901 2411 1 4 . 1 1 112 112 GLN H H 112 8.698 8.698 8.600 0.098 18901 2412 1 4 . 1 1 113 113 VAL N N 113 123.646 123.646 122.810 0.836 18901 2413 1 4 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.776 -0.202 18901 2414 1 4 . 1 1 113 113 VAL C C 113 173.891 173.891 174.022 -0.131 18901 2415 1 4 . 1 1 113 113 VAL CA C 113 60.284 60.284 59.547 0.737 18901 2416 1 4 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.734 0.330 18901 2417 1 4 . 1 1 113 113 VAL H H 113 9.101 9.101 8.722 0.379 18901 2418 1 4 . 1 1 114 114 ARG N N 114 122.944 122.944 121.069 1.875 18901 2419 1 4 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.311 -0.378 18901 2420 1 4 . 1 1 114 114 ARG C C 114 175.683 175.683 175.377 0.306 18901 2421 1 4 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.433 0.316 18901 2422 1 4 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.926 0.127 18901 2423 1 4 . 1 1 114 114 ARG H H 114 8.434 8.434 8.463 -0.029 18901 2424 1 4 . 1 1 115 115 TRP N N 115 126.067 126.067 130.061 -3.994 18901 2425 1 4 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.933 0.324 18901 2426 1 4 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.488 -0.967 18901 2427 1 4 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.833 1.215 18901 2428 1 4 . 1 1 115 115 TRP H H 115 9.944 9.944 9.113 0.831 18901 2429 1 4 . 1 1 116 116 LEU N N 116 130.031 130.031 125.588 4.443 18901 2430 1 4 . 1 1 116 116 LEU HA H 116 4.263 4.263 3.993 0.270 18901 2431 1 4 . 1 1 116 116 LEU CA C 116 55.697 55.697 55.432 0.265 18901 2432 1 4 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.354 -0.627 18901 2433 1 4 . 1 1 116 116 LEU H H 116 8.722 8.722 7.729 0.993 18901 2434 1 4 . 1 1 117 117 GLN N N 117 124.737 124.737 115.603 9.134 18901 2435 1 4 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.951 0.097 18901 2436 1 4 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.791 0.645 18901 2437 1 4 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.480 3.188 18901 2438 1 4 . 1 1 117 117 GLN H H 117 7.453 7.453 8.506 -1.053 18901 2439 1 4 . 1 1 118 118 GLU N N 118 118.531 118.531 119.125 -0.594 18901 2440 1 4 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.896 -0.501 18901 2441 1 4 . 1 1 118 118 GLU CA C 118 54.682 54.682 57.128 -2.446 18901 2442 1 4 . 1 1 118 118 GLU CB C 118 29.372 29.372 30.030 -0.658 18901 2443 1 4 . 1 1 118 118 GLU H H 118 7.891 7.891 7.656 0.235 18901 2444 1 4 . 1 1 119 119 THR N N 119 121.831 121.831 115.261 6.570 18901 2445 1 4 . 1 1 119 119 THR HA H 119 4.267 4.267 4.476 -0.209 18901 2446 1 4 . 1 1 119 119 THR CA C 119 55.604 55.604 60.485 -4.881 18901 2447 1 4 . 1 1 119 119 THR CB C 119 69.285 69.285 70.548 -1.263 18901 2448 1 4 . 1 1 119 119 THR H H 119 7.892 7.892 7.884 0.008 18901 2449 1 5 . 1 1 6 6 PHE N N 6 117.872 117.872 120.108 -2.236 18901 2450 1 5 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.906 -0.116 18901 2451 1 5 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.170 0.856 18901 2452 1 5 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.811 -1.551 18901 2453 1 5 . 1 1 6 6 PHE H H 6 7.818 7.818 8.248 -0.430 18901 2454 1 5 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.795 -58.609 18901 2455 1 5 . 1 1 8 8 GLY N N 8 101.657 101.657 108.594 -6.937 18901 2456 1 5 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.427 -0.251 18901 2457 1 5 . 1 1 8 8 GLY H H 8 7.927 7.927 8.279 -0.352 18901 2458 1 5 . 1 1 9 9 ALA N N 9 120.767 120.767 122.210 -1.443 18901 2459 1 5 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.165 0.700 18901 2460 1 5 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.943 -1.744 18901 2461 1 5 . 1 1 9 9 ALA CB C 9 18.937 18.937 18.079 0.858 18901 2462 1 5 . 1 1 9 9 ALA H H 9 8.235 8.235 8.295 -0.060 18901 2463 1 5 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.715 -0.358 18901 2464 1 5 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.858 0.454 18901 2465 1 5 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.449 0.362 18901 2466 1 5 . 1 1 11 11 CYS N N 11 114.905 114.905 117.915 -3.010 18901 2467 1 5 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.688 0.250 18901 2468 1 5 . 1 1 11 11 CYS C C 11 172.706 172.706 174.502 -1.796 18901 2469 1 5 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.672 -0.834 18901 2470 1 5 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.209 0.930 18901 2471 1 5 . 1 1 11 11 CYS H H 11 8.084 8.084 8.098 -0.014 18901 2472 1 5 . 1 1 12 12 ALA N N 12 120.844 120.844 122.731 -1.887 18901 2473 1 5 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.986 -0.059 18901 2474 1 5 . 1 1 12 12 ALA C C 12 176.005 176.005 177.007 -1.002 18901 2475 1 5 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.294 -0.530 18901 2476 1 5 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.916 -0.320 18901 2477 1 5 . 1 1 12 12 ALA H H 12 8.535 8.535 8.619 -0.084 18901 2478 1 5 . 1 1 13 13 ILE N N 13 116.800 116.800 118.449 -1.649 18901 2479 1 5 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.038 0.415 18901 2480 1 5 . 1 1 13 13 ILE C C 13 177.506 177.506 176.529 0.977 18901 2481 1 5 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.673 -0.338 18901 2482 1 5 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.313 -0.445 18901 2483 1 5 . 1 1 13 13 ILE H H 13 7.802 7.802 7.846 -0.044 18901 2484 1 5 . 1 1 14 14 LYS N N 14 129.030 129.030 127.045 1.985 18901 2485 1 5 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.593 0.004 18901 2486 1 5 . 1 1 14 14 LYS C C 14 175.508 175.508 174.742 0.766 18901 2487 1 5 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.816 0.736 18901 2488 1 5 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.405 -1.117 18901 2489 1 5 . 1 1 14 14 LYS H H 14 9.249 9.249 8.373 0.876 18901 2490 1 5 . 1 1 15 15 ILE N N 15 121.333 121.333 123.385 -2.052 18901 2491 1 5 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.701 -0.117 18901 2492 1 5 . 1 1 15 15 ILE C C 15 175.983 175.983 175.587 0.396 18901 2493 1 5 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.272 0.536 18901 2494 1 5 . 1 1 15 15 ILE CB C 15 40.620 40.620 39.890 0.730 18901 2495 1 5 . 1 1 15 15 ILE H H 15 8.231 8.231 8.635 -0.404 18901 2496 1 5 . 1 1 16 16 SER N N 16 120.251 120.251 123.494 -3.243 18901 2497 1 5 . 1 1 16 16 SER HA H 16 4.933 4.933 4.981 -0.048 18901 2498 1 5 . 1 1 16 16 SER C C 16 173.725 173.725 173.302 0.423 18901 2499 1 5 . 1 1 16 16 SER CA C 16 56.656 56.656 57.190 -0.534 18901 2500 1 5 . 1 1 16 16 SER CB C 16 65.750 65.750 65.072 0.678 18901 2501 1 5 . 1 1 16 16 SER H H 16 8.694 8.694 8.171 0.523 18901 2502 1 5 . 1 1 17 17 LYS N N 17 124.155 124.155 124.970 -0.815 18901 2503 1 5 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.828 -0.168 18901 2504 1 5 . 1 1 17 17 LYS C C 17 175.815 175.815 175.947 -0.132 18901 2505 1 5 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.765 0.510 18901 2506 1 5 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.718 0.848 18901 2507 1 5 . 1 1 17 17 LYS H H 17 8.985 8.985 8.852 0.133 18901 2508 1 5 . 1 1 18 18 SER N N 18 121.663 121.663 116.236 5.427 18901 2509 1 5 . 1 1 18 18 SER HA H 18 5.076 5.076 5.026 0.050 18901 2510 1 5 . 1 1 18 18 SER CA C 18 56.676 56.676 56.331 0.345 18901 2511 1 5 . 1 1 18 18 SER CB C 18 64.993 64.993 64.597 0.396 18901 2512 1 5 . 1 1 18 18 SER H H 18 8.555 8.555 8.756 -0.201 18901 2513 1 5 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.461 -0.127 18901 2514 1 5 . 1 1 19 19 PRO C C 19 177.406 177.406 176.505 0.901 18901 2515 1 5 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.777 0.712 18901 2516 1 5 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.746 0.319 18901 2517 1 5 . 1 1 20 20 ASP N N 20 110.573 110.573 114.057 -3.484 18901 2518 1 5 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.724 -0.045 18901 2519 1 5 . 1 1 20 20 ASP C C 20 176.667 176.667 176.026 0.641 18901 2520 1 5 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.294 0.264 18901 2521 1 5 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.953 -0.530 18901 2522 1 5 . 1 1 20 20 ASP H H 20 8.019 8.019 8.353 -0.334 18901 2523 1 5 . 1 1 21 21 GLY N N 21 107.592 107.592 108.224 -0.632 18901 2524 1 5 . 1 1 21 21 GLY C C 21 172.365 172.365 171.907 0.458 18901 2525 1 5 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.548 0.182 18901 2526 1 5 . 1 1 21 21 GLY H H 21 7.623 7.623 7.586 0.037 18901 2527 1 5 . 1 1 22 22 ALA N N 22 123.764 123.764 123.329 0.435 18901 2528 1 5 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.270 -0.483 18901 2529 1 5 . 1 1 22 22 ALA C C 22 175.801 175.801 175.355 0.446 18901 2530 1 5 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.916 -0.137 18901 2531 1 5 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.620 -0.486 18901 2532 1 5 . 1 1 22 22 ALA H H 22 8.704 8.704 8.088 0.616 18901 2533 1 5 . 1 1 23 23 HIS N N 23 120.666 120.666 123.043 -2.377 18901 2534 1 5 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.334 0.647 18901 2535 1 5 . 1 1 23 23 HIS C C 23 174.199 174.199 174.461 -0.262 18901 2536 1 5 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.503 -2.236 18901 2537 1 5 . 1 1 23 23 HIS CB C 23 29.989 29.989 29.139 0.850 18901 2538 1 5 . 1 1 23 23 HIS H H 23 9.088 9.088 8.889 0.199 18901 2539 1 5 . 1 1 24 24 LEU N N 24 127.467 127.467 127.319 0.148 18901 2540 1 5 . 1 1 24 24 LEU HA H 24 5.180 5.180 3.935 1.245 18901 2541 1 5 . 1 1 24 24 LEU C C 24 176.430 176.430 175.056 1.374 18901 2542 1 5 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.231 1.297 18901 2543 1 5 . 1 1 24 24 LEU CB C 24 44.957 44.957 40.563 4.394 18901 2544 1 5 . 1 1 24 24 LEU H H 24 8.702 8.702 8.224 0.478 18901 2545 1 5 . 1 1 25 25 THR N N 25 111.459 111.459 113.420 -1.961 18901 2546 1 5 . 1 1 25 25 THR HA H 25 4.186 4.186 4.000 0.186 18901 2547 1 5 . 1 1 25 25 THR C C 25 172.720 172.720 172.558 0.162 18901 2548 1 5 . 1 1 25 25 THR CA C 25 60.798 60.798 60.006 0.792 18901 2549 1 5 . 1 1 25 25 THR CB C 25 72.021 72.021 71.601 0.420 18901 2550 1 5 . 1 1 25 25 THR H H 25 8.643 8.643 7.878 0.765 18901 2551 1 5 . 1 1 26 26 TRP N N 26 117.073 117.073 120.322 -3.249 18901 2552 1 5 . 1 1 26 26 TRP HA H 26 5.033 5.033 4.965 0.068 18901 2553 1 5 . 1 1 26 26 TRP C C 26 173.425 173.425 174.327 -0.902 18901 2554 1 5 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.741 -0.054 18901 2555 1 5 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.311 -2.154 18901 2556 1 5 . 1 1 26 26 TRP H H 26 7.301 7.301 8.331 -1.030 18901 2557 1 5 . 1 1 27 27 GLU N N 27 115.563 115.563 118.804 -3.241 18901 2558 1 5 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.992 -0.170 18901 2559 1 5 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.795 -0.906 18901 2560 1 5 . 1 1 27 27 GLU CB C 27 30.830 30.830 32.415 -1.585 18901 2561 1 5 . 1 1 27 27 GLU H H 27 8.753 8.753 8.611 0.142 18901 2562 1 5 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.696 -0.357 18901 2563 1 5 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.761 3.786 18901 2564 1 5 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.361 0.780 18901 2565 1 5 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.451 -0.166 18901 2566 1 5 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.803 -0.823 18901 2567 1 5 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.556 0.328 18901 2568 1 5 . 1 1 30 30 SER N N 30 110.838 110.838 115.713 -4.875 18901 2569 1 5 . 1 1 30 30 SER HA H 30 3.910 3.910 4.664 -0.754 18901 2570 1 5 . 1 1 30 30 SER CA C 30 56.967 56.967 58.121 -1.154 18901 2571 1 5 . 1 1 30 30 SER CB C 30 64.771 64.771 62.638 2.133 18901 2572 1 5 . 1 1 30 30 SER H H 30 8.317 8.317 8.560 -0.243 18901 2573 1 5 . 1 1 31 31 VAL N N 31 114.209 114.209 122.057 -7.848 18901 2574 1 5 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.304 -0.096 18901 2575 1 5 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.347 -0.567 18901 2576 1 5 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.458 0.313 18901 2577 1 5 . 1 1 31 31 VAL H H 31 8.320 8.320 8.251 0.069 18901 2578 1 5 . 1 1 32 32 THR N N 32 119.600 119.600 112.778 6.822 18901 2579 1 5 . 1 1 32 32 THR HA H 32 4.179 4.179 4.557 -0.378 18901 2580 1 5 . 1 1 32 32 THR CA C 32 60.465 60.465 61.039 -0.574 18901 2581 1 5 . 1 1 32 32 THR CB C 32 63.211 63.211 71.357 -8.146 18901 2582 1 5 . 1 1 32 32 THR H H 32 7.828 7.828 7.578 0.250 18901 2583 1 5 . 1 1 33 33 SER N N 33 115.967 115.967 115.436 0.531 18901 2584 1 5 . 1 1 33 33 SER HA H 33 4.179 4.179 4.304 -0.125 18901 2585 1 5 . 1 1 33 33 SER C C 33 174.332 174.332 174.947 -0.615 18901 2586 1 5 . 1 1 33 33 SER CA C 33 60.428 60.428 59.034 1.394 18901 2587 1 5 . 1 1 33 33 SER CB C 33 62.209 62.209 63.257 -1.048 18901 2588 1 5 . 1 1 33 33 SER H H 33 8.292 8.292 8.338 -0.046 18901 2589 1 5 . 1 1 34 34 GLY N N 34 106.879 106.879 110.255 -3.376 18901 2590 1 5 . 1 1 34 34 GLY C C 34 173.709 173.709 174.407 -0.698 18901 2591 1 5 . 1 1 34 34 GLY CA C 34 44.371 44.371 45.318 -0.947 18901 2592 1 5 . 1 1 34 34 GLY H H 34 7.848 7.848 8.062 -0.214 18901 2593 1 5 . 1 1 35 35 LYS N N 35 122.205 122.205 125.677 -3.472 18901 2594 1 5 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.241 0.069 18901 2595 1 5 . 1 1 35 35 LYS C C 35 176.262 176.262 175.587 0.675 18901 2596 1 5 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.800 -0.129 18901 2597 1 5 . 1 1 35 35 LYS CB C 35 34.247 34.247 31.709 2.538 18901 2598 1 5 . 1 1 35 35 LYS H H 35 8.628 8.628 8.495 0.133 18901 2599 1 5 . 1 1 36 36 ILE N N 36 120.178 120.178 121.257 -1.079 18901 2600 1 5 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.958 0.163 18901 2601 1 5 . 1 1 36 36 ILE C C 36 177.751 177.751 177.135 0.616 18901 2602 1 5 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.577 -3.655 18901 2603 1 5 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.508 -3.196 18901 2604 1 5 . 1 1 36 36 ILE H H 36 8.344 8.344 7.905 0.439 18901 2605 1 5 . 1 1 37 37 ILE N N 37 122.285 122.285 119.002 3.283 18901 2606 1 5 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.530 -0.313 18901 2607 1 5 . 1 1 37 37 ILE C C 37 176.085 176.085 175.469 0.616 18901 2608 1 5 . 1 1 37 37 ILE CA C 37 60.942 60.942 60.934 0.008 18901 2609 1 5 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.294 -0.495 18901 2610 1 5 . 1 1 37 37 ILE H H 37 8.460 8.460 8.868 -0.408 18901 2611 1 5 . 1 1 38 38 GLU N N 38 116.489 116.489 118.601 -2.112 18901 2612 1 5 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.632 -0.463 18901 2613 1 5 . 1 1 38 38 GLU C C 38 171.864 171.864 173.775 -1.911 18901 2614 1 5 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.499 0.477 18901 2615 1 5 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.376 1.104 18901 2616 1 5 . 1 1 38 38 GLU H H 38 7.143 7.143 7.510 -0.367 18901 2617 1 5 . 1 1 39 39 TYR N N 39 118.418 118.418 117.459 0.959 18901 2618 1 5 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.004 0.691 18901 2619 1 5 . 1 1 39 39 TYR C C 39 176.190 176.190 174.877 1.313 18901 2620 1 5 . 1 1 39 39 TYR CA C 39 56.911 56.911 56.952 -0.041 18901 2621 1 5 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.011 0.725 18901 2622 1 5 . 1 1 39 39 TYR H H 39 8.860 8.860 8.272 0.588 18901 2623 1 5 . 1 1 40 40 SER N N 40 111.613 111.613 115.824 -4.211 18901 2624 1 5 . 1 1 40 40 SER HA H 40 5.497 5.497 4.376 1.121 18901 2625 1 5 . 1 1 40 40 SER C C 40 172.888 172.888 171.834 1.054 18901 2626 1 5 . 1 1 40 40 SER CA C 40 58.729 58.729 56.999 1.730 18901 2627 1 5 . 1 1 40 40 SER CB C 40 69.596 69.596 66.177 3.419 18901 2628 1 5 . 1 1 40 40 SER H H 40 8.705 8.705 8.908 -0.203 18901 2629 1 5 . 1 1 41 41 VAL N N 41 119.202 119.202 122.869 -3.667 18901 2630 1 5 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.763 0.073 18901 2631 1 5 . 1 1 41 41 VAL C C 41 175.106 175.106 174.229 0.877 18901 2632 1 5 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.228 -0.562 18901 2633 1 5 . 1 1 41 41 VAL CB C 41 34.691 34.691 33.944 0.747 18901 2634 1 5 . 1 1 41 41 VAL H H 41 8.428 8.428 8.282 0.146 18901 2635 1 5 . 1 1 42 42 TYR N N 42 124.792 124.792 125.873 -1.081 18901 2636 1 5 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.651 0.845 18901 2637 1 5 . 1 1 42 42 TYR C C 42 174.659 174.659 173.582 1.077 18901 2638 1 5 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.761 -0.001 18901 2639 1 5 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.741 2.655 18901 2640 1 5 . 1 1 42 42 TYR H H 42 9.773 9.773 8.902 0.871 18901 2641 1 5 . 1 1 43 43 LEU N N 43 123.210 123.210 125.581 -2.371 18901 2642 1 5 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.517 0.736 18901 2643 1 5 . 1 1 43 43 LEU C C 43 176.296 176.296 175.108 1.188 18901 2644 1 5 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.672 0.674 18901 2645 1 5 . 1 1 43 43 LEU CB C 43 48.549 48.549 45.533 3.016 18901 2646 1 5 . 1 1 43 43 LEU H H 43 9.368 9.368 8.669 0.699 18901 2647 1 5 . 1 1 44 44 ALA N N 44 127.556 127.556 128.693 -1.137 18901 2648 1 5 . 1 1 44 44 ALA HA H 44 4.324 4.324 5.389 -1.065 18901 2649 1 5 . 1 1 44 44 ALA C C 44 178.318 178.318 177.119 1.199 18901 2650 1 5 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.026 0.718 18901 2651 1 5 . 1 1 44 44 ALA CB C 44 18.649 18.649 20.181 -1.532 18901 2652 1 5 . 1 1 44 44 ALA H H 44 8.366 8.366 8.664 -0.298 18901 2653 1 5 . 1 1 45 45 ILE N N 45 119.672 119.672 116.198 3.474 18901 2654 1 5 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.877 -0.134 18901 2655 1 5 . 1 1 45 45 ILE C C 45 175.937 175.937 175.313 0.624 18901 2656 1 5 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.154 0.966 18901 2657 1 5 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.527 0.262 18901 2658 1 5 . 1 1 45 45 ILE H H 45 8.599 8.599 7.945 0.654 18901 2659 1 5 . 1 1 46 46 GLN N N 46 120.248 120.248 121.431 -1.183 18901 2660 1 5 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.064 0.343 18901 2661 1 5 . 1 1 46 46 GLN C C 46 176.355 176.355 175.305 1.050 18901 2662 1 5 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.948 -1.134 18901 2663 1 5 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.226 2.614 18901 2664 1 5 . 1 1 46 46 GLN H H 46 8.207 8.207 8.482 -0.275 18901 2665 1 5 . 1 1 47 47 SER N N 47 117.541 117.541 117.040 0.501 18901 2666 1 5 . 1 1 47 47 SER HA H 47 4.445 4.445 4.817 -0.372 18901 2667 1 5 . 1 1 47 47 SER C C 47 175.100 175.100 173.619 1.481 18901 2668 1 5 . 1 1 47 47 SER CA C 47 57.957 57.957 57.569 0.388 18901 2669 1 5 . 1 1 47 47 SER CB C 47 64.188 64.188 65.028 -0.840 18901 2670 1 5 . 1 1 47 47 SER H H 47 8.316 8.316 8.118 0.198 18901 2671 1 5 . 1 1 48 48 SER N N 48 116.421 116.421 114.470 1.951 18901 2672 1 5 . 1 1 48 48 SER HA H 48 4.446 4.446 4.659 -0.213 18901 2673 1 5 . 1 1 48 48 SER CA C 48 58.395 58.395 58.094 0.301 18901 2674 1 5 . 1 1 48 48 SER CB C 48 63.932 63.932 64.624 -0.692 18901 2675 1 5 . 1 1 48 48 SER H H 48 8.096 8.096 8.398 -0.302 18901 2676 1 5 . 1 1 49 49 GLN N N 49 120.755 120.755 121.477 -0.722 18901 2677 1 5 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.229 0.082 18901 2678 1 5 . 1 1 49 49 GLN C C 49 176.420 176.420 176.083 0.337 18901 2679 1 5 . 1 1 49 49 GLN CA C 49 55.842 55.842 56.717 -0.875 18901 2680 1 5 . 1 1 49 49 GLN CB C 49 29.751 29.751 29.274 0.477 18901 2681 1 5 . 1 1 49 49 GLN H H 49 8.308 8.308 7.453 0.855 18901 2682 1 5 . 1 1 50 50 ALA N N 50 124.199 124.199 122.469 1.730 18901 2683 1 5 . 1 1 50 50 ALA HA H 50 4.312 4.312 3.946 0.366 18901 2684 1 5 . 1 1 50 50 ALA C C 50 178.375 178.375 176.867 1.508 18901 2685 1 5 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.728 -0.108 18901 2686 1 5 . 1 1 50 50 ALA CB C 50 19.453 19.453 17.459 1.994 18901 2687 1 5 . 1 1 50 50 ALA H H 50 8.219 8.219 8.869 -0.650 18901 2688 1 5 . 1 1 51 51 SER N N 51 113.652 113.652 115.254 -1.602 18901 2689 1 5 . 1 1 51 51 SER HA H 51 4.307 4.307 4.110 0.197 18901 2690 1 5 . 1 1 51 51 SER C C 51 175.739 175.739 174.222 1.517 18901 2691 1 5 . 1 1 51 51 SER CA C 51 52.695 52.695 58.202 -5.507 18901 2692 1 5 . 1 1 51 51 SER CB C 51 62.104 62.104 62.430 -0.326 18901 2693 1 5 . 1 1 51 51 SER H H 51 8.148 8.148 8.002 0.146 18901 2694 1 5 . 1 1 52 52 GLY N N 52 109.442 109.442 114.900 -5.458 18901 2695 1 5 . 1 1 52 52 GLY C C 52 174.511 174.511 172.224 2.287 18901 2696 1 5 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.214 0.184 18901 2697 1 5 . 1 1 52 52 GLY H H 52 8.267 8.267 7.708 0.559 18901 2698 1 5 . 1 1 53 53 GLU N N 53 120.137 120.137 122.517 -2.380 18901 2699 1 5 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.836 -0.283 18901 2700 1 5 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.193 0.862 18901 2701 1 5 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.631 -0.787 18901 2702 1 5 . 1 1 53 53 GLU H H 53 7.951 7.951 7.972 -0.021 18901 2703 1 5 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.528 -0.163 18901 2704 1 5 . 1 1 54 54 PRO C C 54 177.830 177.830 176.972 0.858 18901 2705 1 5 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.642 1.068 18901 2706 1 5 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.638 0.074 18901 2707 1 5 . 1 1 55 55 LYS N N 55 119.406 119.406 117.087 2.319 18901 2708 1 5 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.953 0.312 18901 2709 1 5 . 1 1 55 55 LYS C C 55 177.347 177.347 175.418 1.929 18901 2710 1 5 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.042 -0.346 18901 2711 1 5 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.942 1.304 18901 2712 1 5 . 1 1 55 55 LYS H H 55 8.315 8.315 8.673 -0.358 18901 2713 1 5 . 1 1 56 56 SER N N 56 114.624 114.624 111.130 3.494 18901 2714 1 5 . 1 1 56 56 SER HA H 56 4.564 4.564 4.206 0.358 18901 2715 1 5 . 1 1 56 56 SER C C 56 175.285 175.285 174.285 1.000 18901 2716 1 5 . 1 1 56 56 SER CA C 56 60.090 60.090 59.479 0.611 18901 2717 1 5 . 1 1 56 56 SER CB C 56 63.305 63.305 61.981 1.324 18901 2718 1 5 . 1 1 56 56 SER H H 56 8.090 8.090 8.453 -0.363 18901 2719 1 5 . 1 1 57 57 SER N N 57 116.016 116.016 113.832 2.184 18901 2720 1 5 . 1 1 57 57 SER HA H 57 4.455 4.455 4.565 -0.110 18901 2721 1 5 . 1 1 57 57 SER C C 57 174.988 174.988 174.411 0.577 18901 2722 1 5 . 1 1 57 57 SER CA C 57 58.332 58.332 58.258 0.074 18901 2723 1 5 . 1 1 57 57 SER CB C 57 63.876 63.876 63.804 0.072 18901 2724 1 5 . 1 1 57 57 SER H H 57 8.224 8.224 8.029 0.195 18901 2725 1 5 . 1 1 58 58 THR N N 58 116.090 116.090 115.070 1.020 18901 2726 1 5 . 1 1 58 58 THR HA H 58 4.602 4.602 4.689 -0.087 18901 2727 1 5 . 1 1 58 58 THR CA C 58 59.935 59.935 58.235 1.700 18901 2728 1 5 . 1 1 58 58 THR CB C 58 69.773 69.773 68.945 0.828 18901 2729 1 5 . 1 1 58 58 THR H H 58 7.939 7.939 7.722 0.217 18901 2730 1 5 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.389 -0.108 18901 2731 1 5 . 1 1 59 59 PRO C C 59 177.272 177.272 176.952 0.320 18901 2732 1 5 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.760 -0.684 18901 2733 1 5 . 1 1 59 59 PRO CB C 59 32.778 32.778 31.655 1.123 18901 2734 1 5 . 1 1 60 60 ALA N N 60 122.319 122.319 127.734 -5.415 18901 2735 1 5 . 1 1 60 60 ALA HA H 60 4.219 4.219 3.961 0.258 18901 2736 1 5 . 1 1 60 60 ALA C C 60 178.277 178.277 176.777 1.500 18901 2737 1 5 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.662 -0.162 18901 2738 1 5 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.397 2.062 18901 2739 1 5 . 1 1 60 60 ALA H H 60 8.156 8.156 8.578 -0.422 18901 2740 1 5 . 1 1 61 61 GLN N N 61 117.680 117.680 113.318 4.362 18901 2741 1 5 . 1 1 61 61 GLN HA H 61 4.278 4.278 3.776 0.502 18901 2742 1 5 . 1 1 61 61 GLN C C 61 176.148 176.148 175.378 0.770 18901 2743 1 5 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.774 -0.249 18901 2744 1 5 . 1 1 61 61 GLN CB C 61 30.044 30.044 26.618 3.426 18901 2745 1 5 . 1 1 61 61 GLN H H 61 8.016 8.016 8.323 -0.307 18901 2746 1 5 . 1 1 62 62 LEU N N 62 121.805 121.805 117.443 4.362 18901 2747 1 5 . 1 1 62 62 LEU HA H 62 4.129 4.129 3.958 0.171 18901 2748 1 5 . 1 1 62 62 LEU C C 62 176.202 176.202 175.575 0.627 18901 2749 1 5 . 1 1 62 62 LEU CA C 62 54.574 54.574 55.805 -1.231 18901 2750 1 5 . 1 1 62 62 LEU CB C 62 43.290 43.290 41.482 1.808 18901 2751 1 5 . 1 1 62 62 LEU H H 62 7.968 7.968 7.681 0.287 18901 2752 1 5 . 1 1 63 63 ALA N N 63 124.947 124.947 119.526 5.421 18901 2753 1 5 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.705 -0.209 18901 2754 1 5 . 1 1 63 63 ALA C C 63 176.252 176.252 175.294 0.958 18901 2755 1 5 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.257 -0.459 18901 2756 1 5 . 1 1 63 63 ALA CB C 63 20.646 20.646 22.268 -1.622 18901 2757 1 5 . 1 1 63 63 ALA H H 63 8.434 8.434 7.545 0.889 18901 2758 1 5 . 1 1 64 64 PHE N N 64 117.099 117.099 118.197 -1.098 18901 2759 1 5 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.425 -0.341 18901 2760 1 5 . 1 1 64 64 PHE C C 64 176.403 176.403 175.673 0.730 18901 2761 1 5 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.076 1.657 18901 2762 1 5 . 1 1 64 64 PHE CB C 64 42.810 42.810 43.487 -0.677 18901 2763 1 5 . 1 1 64 64 PHE H H 64 8.446 8.446 8.677 -0.231 18901 2764 1 5 . 1 1 65 65 MET N N 65 120.470 120.470 118.477 1.993 18901 2765 1 5 . 1 1 65 65 MET HA H 65 4.902 4.902 4.786 0.116 18901 2766 1 5 . 1 1 65 65 MET CA C 65 53.984 53.984 54.631 -0.647 18901 2767 1 5 . 1 1 65 65 MET CB C 65 36.825 36.825 34.470 2.355 18901 2768 1 5 . 1 1 65 65 MET H H 65 9.050 9.050 8.361 0.689 18901 2769 1 5 . 1 1 66 66 ARG N N 66 120.685 120.685 121.536 -0.851 18901 2770 1 5 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.429 -0.286 18901 2771 1 5 . 1 1 66 66 ARG C C 66 176.916 176.916 175.880 1.036 18901 2772 1 5 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.923 1.039 18901 2773 1 5 . 1 1 66 66 ARG CB C 66 31.072 31.072 29.092 1.980 18901 2774 1 5 . 1 1 66 66 ARG H H 66 7.540 7.540 8.104 -0.564 18901 2775 1 5 . 1 1 67 67 VAL N N 67 117.677 117.677 117.489 0.188 18901 2776 1 5 . 1 1 67 67 VAL HA H 67 4.714 4.714 4.149 0.565 18901 2777 1 5 . 1 1 67 67 VAL C C 67 175.777 175.777 175.936 -0.159 18901 2778 1 5 . 1 1 67 67 VAL CA C 67 60.919 60.919 62.497 -1.578 18901 2779 1 5 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.043 1.371 18901 2780 1 5 . 1 1 67 67 VAL H H 67 8.859 8.859 8.221 0.638 18901 2781 1 5 . 1 1 68 68 TYR N N 68 120.707 120.707 122.824 -2.117 18901 2782 1 5 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.264 0.513 18901 2783 1 5 . 1 1 68 68 TYR C C 68 173.712 173.712 175.513 -1.801 18901 2784 1 5 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.698 -1.393 18901 2785 1 5 . 1 1 68 68 TYR CB C 68 43.056 43.056 37.836 5.220 18901 2786 1 5 . 1 1 68 68 TYR H H 68 7.539 7.539 7.613 -0.074 18901 2787 1 5 . 1 1 69 69 CYS N N 69 127.927 127.927 123.442 4.485 18901 2788 1 5 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.226 0.843 18901 2789 1 5 . 1 1 69 69 CYS C C 69 174.094 174.094 174.349 -0.255 18901 2790 1 5 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.399 -0.209 18901 2791 1 5 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.713 -0.723 18901 2792 1 5 . 1 1 69 69 CYS H H 69 7.601 7.601 8.369 -0.768 18901 2793 1 5 . 1 1 70 70 GLY N N 70 114.822 114.822 110.898 3.924 18901 2794 1 5 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.028 2.118 18901 2795 1 5 . 1 1 70 70 GLY H H 70 8.336 8.336 7.606 0.730 18901 2796 1 5 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.411 0.137 18901 2797 1 5 . 1 1 71 71 PRO CB C 71 32.664 32.664 31.993 0.671 18901 2798 1 5 . 1 1 72 72 SER N N 72 112.451 112.451 115.880 -3.429 18901 2799 1 5 . 1 1 72 72 SER HA H 72 4.850 4.850 4.469 0.381 18901 2800 1 5 . 1 1 72 72 SER CA C 72 56.874 56.874 57.594 -0.720 18901 2801 1 5 . 1 1 72 72 SER CB C 72 63.248 63.248 63.451 -0.203 18901 2802 1 5 . 1 1 72 72 SER H H 72 7.327 7.327 8.013 -0.686 18901 2803 1 5 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.406 -0.213 18901 2804 1 5 . 1 1 73 73 PRO CA C 73 63.555 63.555 64.048 -0.493 18901 2805 1 5 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.362 -0.126 18901 2806 1 5 . 1 1 74 74 SER N N 74 111.450 111.450 113.066 -1.616 18901 2807 1 5 . 1 1 74 74 SER HA H 74 3.907 3.907 4.939 -1.032 18901 2808 1 5 . 1 1 74 74 SER CA C 74 56.710 56.710 56.445 0.265 18901 2809 1 5 . 1 1 74 74 SER CB C 74 64.647 64.647 66.122 -1.475 18901 2810 1 5 . 1 1 74 74 SER H H 74 6.909 6.909 7.635 -0.726 18901 2811 1 5 . 1 1 75 75 CYS N N 75 124.103 124.103 119.951 4.152 18901 2812 1 5 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.698 -1.139 18901 2813 1 5 . 1 1 75 75 CYS C C 75 171.568 171.568 173.480 -1.912 18901 2814 1 5 . 1 1 75 75 CYS CA C 75 62.200 62.200 56.917 5.283 18901 2815 1 5 . 1 1 75 75 CYS CB C 75 26.251 26.251 31.595 -5.343 18901 2816 1 5 . 1 1 75 75 CYS H H 75 6.017 6.017 8.727 -2.710 18901 2817 1 5 . 1 1 76 76 LEU N N 76 121.191 121.191 123.137 -1.946 18901 2818 1 5 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.499 0.324 18901 2819 1 5 . 1 1 76 76 LEU C C 76 176.786 176.786 176.529 0.257 18901 2820 1 5 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.955 -1.590 18901 2821 1 5 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.399 1.827 18901 2822 1 5 . 1 1 76 76 LEU H H 76 8.015 8.015 8.369 -0.354 18901 2823 1 5 . 1 1 77 77 VAL N N 77 126.347 126.347 119.371 6.976 18901 2824 1 5 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.359 -0.107 18901 2825 1 5 . 1 1 77 77 VAL C C 77 175.529 175.529 174.802 0.727 18901 2826 1 5 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.716 0.935 18901 2827 1 5 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.133 -2.457 18901 2828 1 5 . 1 1 77 77 VAL H H 77 9.084 9.084 7.849 1.235 18901 2829 1 5 . 1 1 78 78 GLN N N 78 124.566 124.566 125.477 -0.911 18901 2830 1 5 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.565 -0.050 18901 2831 1 5 . 1 1 78 78 GLN C C 78 178.805 178.805 177.803 1.002 18901 2832 1 5 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.528 0.388 18901 2833 1 5 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.192 1.206 18901 2834 1 5 . 1 1 78 78 GLN H H 78 8.908 8.908 8.668 0.240 18901 2835 1 5 . 1 1 79 79 SER N N 79 116.974 116.974 122.249 -5.275 18901 2836 1 5 . 1 1 79 79 SER HA H 79 4.087 4.087 4.154 -0.067 18901 2837 1 5 . 1 1 79 79 SER C C 79 177.179 177.179 175.984 1.195 18901 2838 1 5 . 1 1 79 79 SER CA C 79 62.454 62.454 61.751 0.703 18901 2839 1 5 . 1 1 79 79 SER CB C 79 62.787 62.787 62.886 -0.099 18901 2840 1 5 . 1 1 79 79 SER H H 79 8.458 8.458 8.556 -0.098 18901 2841 1 5 . 1 1 80 80 SER N N 80 114.734 114.734 116.690 -1.956 18901 2842 1 5 . 1 1 80 80 SER HA H 80 4.211 4.211 4.232 -0.021 18901 2843 1 5 . 1 1 80 80 SER C C 80 177.853 177.853 175.770 2.083 18901 2844 1 5 . 1 1 80 80 SER CA C 80 61.190 61.190 60.548 0.642 18901 2845 1 5 . 1 1 80 80 SER CB C 80 62.358 62.358 62.485 -0.127 18901 2846 1 5 . 1 1 80 80 SER H H 80 8.537 8.537 8.646 -0.109 18901 2847 1 5 . 1 1 81 81 SER N N 81 117.137 117.137 117.448 -0.311 18901 2848 1 5 . 1 1 81 81 SER HA H 81 4.455 4.455 4.448 0.007 18901 2849 1 5 . 1 1 81 81 SER C C 81 175.702 175.702 176.119 -0.417 18901 2850 1 5 . 1 1 81 81 SER CA C 81 61.433 61.433 60.284 1.149 18901 2851 1 5 . 1 1 81 81 SER CB C 81 63.130 63.130 63.589 -0.459 18901 2852 1 5 . 1 1 81 81 SER H H 81 7.514 7.514 7.900 -0.386 18901 2853 1 5 . 1 1 82 82 LEU N N 82 117.548 117.548 121.683 -4.135 18901 2854 1 5 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.255 -0.222 18901 2855 1 5 . 1 1 82 82 LEU C C 82 179.445 179.445 179.289 0.156 18901 2856 1 5 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.203 -0.501 18901 2857 1 5 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.044 0.744 18901 2858 1 5 . 1 1 82 82 LEU H H 82 7.629 7.629 7.633 -0.004 18901 2859 1 5 . 1 1 83 83 SER N N 83 113.258 113.258 117.502 -4.244 18901 2860 1 5 . 1 1 83 83 SER HA H 83 4.214 4.214 4.098 0.116 18901 2861 1 5 . 1 1 83 83 SER C C 83 175.256 175.256 175.371 -0.115 18901 2862 1 5 . 1 1 83 83 SER CA C 83 61.192 61.192 61.894 -0.702 18901 2863 1 5 . 1 1 83 83 SER CB C 83 63.544 63.544 63.125 0.419 18901 2864 1 5 . 1 1 83 83 SER H H 83 7.805 7.805 8.865 -1.060 18901 2865 1 5 . 1 1 84 84 ASN N N 84 116.565 116.565 118.413 -1.848 18901 2866 1 5 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.658 0.264 18901 2867 1 5 . 1 1 84 84 ASN C C 84 175.063 175.063 174.586 0.477 18901 2868 1 5 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.258 -0.586 18901 2869 1 5 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.343 1.348 18901 2870 1 5 . 1 1 84 84 ASN H H 84 7.612 7.612 7.871 -0.259 18901 2871 1 5 . 1 1 85 85 ALA N N 85 119.819 119.819 121.169 -1.350 18901 2872 1 5 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.476 -0.227 18901 2873 1 5 . 1 1 85 85 ALA C C 85 178.113 178.113 177.437 0.676 18901 2874 1 5 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.771 1.294 18901 2875 1 5 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.684 0.136 18901 2876 1 5 . 1 1 85 85 ALA H H 85 7.558 7.558 7.043 0.515 18901 2877 1 5 . 1 1 86 86 HIS N N 86 118.388 118.388 120.989 -2.601 18901 2878 1 5 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.623 -0.218 18901 2879 1 5 . 1 1 86 86 HIS C C 86 175.333 175.333 175.345 -0.012 18901 2880 1 5 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.343 -0.724 18901 2881 1 5 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.656 -1.458 18901 2882 1 5 . 1 1 86 86 HIS H H 86 8.280 8.280 8.375 -0.095 18901 2883 1 5 . 1 1 87 87 ILE N N 87 126.618 126.618 125.249 1.369 18901 2884 1 5 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.322 -0.267 18901 2885 1 5 . 1 1 87 87 ILE C C 87 174.718 174.718 176.030 -1.312 18901 2886 1 5 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.495 -0.069 18901 2887 1 5 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.233 -0.791 18901 2888 1 5 . 1 1 87 87 ILE H H 87 7.873 7.873 8.546 -0.673 18901 2889 1 5 . 1 1 88 88 ASP N N 88 124.684 124.684 125.115 -0.431 18901 2890 1 5 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.538 -0.026 18901 2891 1 5 . 1 1 88 88 ASP C C 88 176.506 176.506 175.488 1.018 18901 2892 1 5 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.498 -1.261 18901 2893 1 5 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.600 1.161 18901 2894 1 5 . 1 1 88 88 ASP H H 88 8.572 8.572 8.632 -0.060 18901 2895 1 5 . 1 1 89 89 TYR N N 89 122.959 122.959 125.242 -2.283 18901 2896 1 5 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.825 -0.446 18901 2897 1 5 . 1 1 89 89 TYR C C 89 176.631 176.631 175.527 1.104 18901 2898 1 5 . 1 1 89 89 TYR CA C 89 58.629 58.629 56.874 1.755 18901 2899 1 5 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.471 -0.009 18901 2900 1 5 . 1 1 89 89 TYR H H 89 8.533 8.533 8.755 -0.222 18901 2901 1 5 . 1 1 90 90 THR N N 90 115.232 115.232 114.488 0.744 18901 2902 1 5 . 1 1 90 90 THR HA H 90 3.974 3.974 4.506 -0.532 18901 2903 1 5 . 1 1 90 90 THR C C 90 176.298 176.298 175.513 0.785 18901 2904 1 5 . 1 1 90 90 THR CA C 90 65.610 65.610 62.899 2.711 18901 2905 1 5 . 1 1 90 90 THR CB C 90 68.758 68.758 70.668 -1.909 18901 2906 1 5 . 1 1 90 90 THR H H 90 8.024 8.024 8.811 -0.787 18901 2907 1 5 . 1 1 91 91 THR N N 91 112.253 112.253 112.125 0.128 18901 2908 1 5 . 1 1 91 91 THR HA H 91 4.290 4.290 4.499 -0.209 18901 2909 1 5 . 1 1 91 91 THR C C 91 174.644 174.644 174.355 0.289 18901 2910 1 5 . 1 1 91 91 THR CA C 91 61.288 61.288 62.494 -1.206 18901 2911 1 5 . 1 1 91 91 THR CB C 91 69.418 69.418 70.868 -1.450 18901 2912 1 5 . 1 1 91 91 THR H H 91 8.013 8.013 8.922 -0.909 18901 2913 1 5 . 1 1 92 92 LYS N N 92 121.833 121.833 121.625 0.208 18901 2914 1 5 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.795 -0.336 18901 2915 1 5 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.592 0.840 18901 2916 1 5 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.821 -6.398 18901 2917 1 5 . 1 1 92 92 LYS H H 92 7.883 7.883 7.850 0.033 18901 2918 1 5 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.928 -0.717 18901 2919 1 5 . 1 1 93 93 PRO C C 93 176.775 176.775 175.684 1.091 18901 2920 1 5 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.966 0.419 18901 2921 1 5 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.990 1.224 18901 2922 1 5 . 1 1 94 94 ALA N N 94 122.487 122.487 125.570 -3.083 18901 2923 1 5 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.842 0.023 18901 2924 1 5 . 1 1 94 94 ALA C C 94 175.790 175.790 175.402 0.388 18901 2925 1 5 . 1 1 94 94 ALA CA C 94 51.011 51.011 51.047 -0.036 18901 2926 1 5 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.671 0.169 18901 2927 1 5 . 1 1 94 94 ALA H H 94 8.072 8.072 8.013 0.059 18901 2928 1 5 . 1 1 95 95 ILE N N 95 120.526 120.526 121.437 -0.911 18901 2929 1 5 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.517 -0.226 18901 2930 1 5 . 1 1 95 95 ILE C C 95 175.063 175.063 176.064 -1.001 18901 2931 1 5 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.018 -0.588 18901 2932 1 5 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.003 1.653 18901 2933 1 5 . 1 1 95 95 ILE H H 95 8.099 8.099 8.587 -0.488 18901 2934 1 5 . 1 1 96 96 ILE N N 96 126.053 126.053 127.650 -1.597 18901 2935 1 5 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.470 0.484 18901 2936 1 5 . 1 1 96 96 ILE C C 96 175.609 175.609 175.694 -0.085 18901 2937 1 5 . 1 1 96 96 ILE CA C 96 60.290 60.290 61.062 -0.772 18901 2938 1 5 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.958 1.941 18901 2939 1 5 . 1 1 96 96 ILE H H 96 9.393 9.393 8.736 0.657 18901 2940 1 5 . 1 1 97 97 PHE N N 97 120.455 120.455 125.500 -5.045 18901 2941 1 5 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.019 0.998 18901 2942 1 5 . 1 1 97 97 PHE C C 97 177.044 177.044 174.629 2.415 18901 2943 1 5 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.864 -1.095 18901 2944 1 5 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.218 0.468 18901 2945 1 5 . 1 1 97 97 PHE H H 97 8.626 8.626 8.506 0.120 18901 2946 1 5 . 1 1 98 98 ARG N N 98 117.253 117.253 124.274 -7.021 18901 2947 1 5 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.015 0.426 18901 2948 1 5 . 1 1 98 98 ARG C C 98 176.125 176.125 175.041 1.084 18901 2949 1 5 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.562 0.401 18901 2950 1 5 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.961 4.660 18901 2951 1 5 . 1 1 98 98 ARG H H 98 9.041 9.041 8.918 0.123 18901 2952 1 5 . 1 1 99 99 ILE N N 99 120.894 120.894 124.805 -3.911 18901 2953 1 5 . 1 1 99 99 ILE HA H 99 5.019 5.019 5.061 -0.042 18901 2954 1 5 . 1 1 99 99 ILE C C 99 174.486 174.486 173.827 0.659 18901 2955 1 5 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.242 0.692 18901 2956 1 5 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.139 -0.724 18901 2957 1 5 . 1 1 99 99 ILE H H 99 8.499 8.499 7.823 0.676 18901 2958 1 5 . 1 1 100 100 ALA N N 100 127.368 127.368 127.305 0.063 18901 2959 1 5 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.916 -0.028 18901 2960 1 5 . 1 1 100 100 ALA C C 100 175.044 175.044 174.830 0.214 18901 2961 1 5 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.492 0.864 18901 2962 1 5 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.219 1.371 18901 2963 1 5 . 1 1 100 100 ALA H H 100 8.779 8.779 8.467 0.312 18901 2964 1 5 . 1 1 101 101 ALA N N 101 123.472 123.472 123.212 0.260 18901 2965 1 5 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.948 1.170 18901 2966 1 5 . 1 1 101 101 ALA C C 101 174.314 174.314 176.578 -2.264 18901 2967 1 5 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.026 0.542 18901 2968 1 5 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.248 5.373 18901 2969 1 5 . 1 1 101 101 ALA H H 101 9.955 9.955 8.366 1.589 18901 2970 1 5 . 1 1 102 102 ARG N N 102 119.295 119.295 125.110 -5.815 18901 2971 1 5 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.852 0.739 18901 2972 1 5 . 1 1 102 102 ARG C C 102 176.649 176.649 174.601 2.048 18901 2973 1 5 . 1 1 102 102 ARG CA C 102 54.071 54.071 56.079 -2.008 18901 2974 1 5 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.765 3.405 18901 2975 1 5 . 1 1 102 102 ARG H H 102 8.474 8.474 7.757 0.717 18901 2976 1 5 . 1 1 103 103 ASN N N 103 124.198 124.198 120.846 3.352 18901 2977 1 5 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.281 0.173 18901 2978 1 5 . 1 1 103 103 ASN C C 103 176.327 176.327 176.120 0.207 18901 2979 1 5 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.457 -0.153 18901 2980 1 5 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.587 -1.928 18901 2981 1 5 . 1 1 103 103 ASN H H 103 7.816 7.816 7.949 -0.133 18901 2982 1 5 . 1 1 104 104 GLU N N 104 115.270 115.270 118.969 -3.699 18901 2983 1 5 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.933 -0.080 18901 2984 1 5 . 1 1 104 104 GLU C C 104 177.716 177.716 177.455 0.261 18901 2985 1 5 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.099 0.806 18901 2986 1 5 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.502 -0.338 18901 2987 1 5 . 1 1 104 104 GLU H H 104 9.416 9.416 8.409 1.007 18901 2988 1 5 . 1 1 105 105 LYS N N 105 116.576 116.576 117.025 -0.449 18901 2989 1 5 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.161 0.101 18901 2990 1 5 . 1 1 105 105 LYS C C 105 177.667 177.667 177.293 0.374 18901 2991 1 5 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.610 0.445 18901 2992 1 5 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.831 0.220 18901 2993 1 5 . 1 1 105 105 LYS H H 105 7.737 7.737 8.136 -0.399 18901 2994 1 5 . 1 1 106 106 GLY N N 106 104.067 104.067 106.009 -1.942 18901 2995 1 5 . 1 1 106 106 GLY C C 106 172.796 172.796 173.144 -0.348 18901 2996 1 5 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.255 1.661 18901 2997 1 5 . 1 1 106 106 GLY H H 106 7.906 7.906 7.452 0.454 18901 2998 1 5 . 1 1 107 107 TYR N N 107 117.296 117.296 121.141 -3.845 18901 2999 1 5 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.467 0.282 18901 3000 1 5 . 1 1 107 107 TYR C C 107 178.772 178.772 176.148 2.624 18901 3001 1 5 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.063 1.737 18901 3002 1 5 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.333 4.233 18901 3003 1 5 . 1 1 107 107 TYR H H 107 8.378 8.378 8.308 0.070 18901 3004 1 5 . 1 1 108 108 GLY N N 108 107.379 107.379 112.579 -5.200 18901 3005 1 5 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.469 -1.207 18901 3006 1 5 . 1 1 108 108 GLY H H 108 8.651 8.651 8.308 0.343 18901 3007 1 5 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.401 -0.456 18901 3008 1 5 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.682 0.189 18901 3009 1 5 . 1 1 110 110 ALA C C 110 179.404 179.404 176.755 2.649 18901 3010 1 5 . 1 1 110 110 ALA CA C 110 50.268 50.268 52.078 -1.810 18901 3011 1 5 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.156 -1.041 18901 3012 1 5 . 1 1 111 111 THR N N 111 118.432 118.432 118.951 -0.519 18901 3013 1 5 . 1 1 111 111 THR HA H 111 4.396 4.396 4.270 0.126 18901 3014 1 5 . 1 1 111 111 THR C C 111 173.449 173.449 174.090 -0.641 18901 3015 1 5 . 1 1 111 111 THR CA C 111 61.721 61.721 62.718 -0.997 18901 3016 1 5 . 1 1 111 111 THR CB C 111 69.967 69.967 69.673 0.294 18901 3017 1 5 . 1 1 111 111 THR H H 111 8.810 8.810 8.296 0.514 18901 3018 1 5 . 1 1 112 112 GLN N N 112 127.590 127.590 125.900 1.690 18901 3019 1 5 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.648 0.689 18901 3020 1 5 . 1 1 112 112 GLN C C 112 175.442 175.442 175.268 0.174 18901 3021 1 5 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.946 -0.143 18901 3022 1 5 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.009 2.744 18901 3023 1 5 . 1 1 112 112 GLN H H 112 8.698 8.698 8.704 -0.006 18901 3024 1 5 . 1 1 113 113 VAL N N 113 123.646 123.646 126.217 -2.571 18901 3025 1 5 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.140 0.434 18901 3026 1 5 . 1 1 113 113 VAL C C 113 173.891 173.891 174.823 -0.932 18901 3027 1 5 . 1 1 113 113 VAL CA C 113 60.284 60.284 63.135 -2.851 18901 3028 1 5 . 1 1 113 113 VAL CB C 113 36.064 36.064 32.629 3.435 18901 3029 1 5 . 1 1 113 113 VAL H H 113 9.101 9.101 8.350 0.751 18901 3030 1 5 . 1 1 114 114 ARG N N 114 122.944 122.944 122.904 0.040 18901 3031 1 5 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.305 -0.372 18901 3032 1 5 . 1 1 114 114 ARG C C 114 175.683 175.683 174.793 0.890 18901 3033 1 5 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.679 0.070 18901 3034 1 5 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.031 -0.978 18901 3035 1 5 . 1 1 114 114 ARG H H 114 8.434 8.434 8.392 0.042 18901 3036 1 5 . 1 1 115 115 TRP N N 115 126.067 126.067 124.918 1.149 18901 3037 1 5 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.963 0.294 18901 3038 1 5 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.684 -2.163 18901 3039 1 5 . 1 1 115 115 TRP CB C 115 30.048 30.048 31.268 -1.220 18901 3040 1 5 . 1 1 115 115 TRP H H 115 9.944 9.944 8.668 1.276 18901 3041 1 5 . 1 1 116 116 LEU N N 116 130.031 130.031 126.046 3.985 18901 3042 1 5 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.438 -0.175 18901 3043 1 5 . 1 1 116 116 LEU CA C 116 55.697 55.697 53.337 2.360 18901 3044 1 5 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.650 -0.923 18901 3045 1 5 . 1 1 116 116 LEU H H 116 8.722 8.722 8.456 0.266 18901 3046 1 5 . 1 1 117 117 GLN N N 117 124.737 124.737 114.419 10.318 18901 3047 1 5 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.838 0.210 18901 3048 1 5 . 1 1 117 117 GLN CA C 117 57.436 57.436 57.290 0.146 18901 3049 1 5 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.560 3.108 18901 3050 1 5 . 1 1 117 117 GLN H H 117 7.453 7.453 8.729 -1.276 18901 3051 1 5 . 1 1 118 118 GLU N N 118 118.531 118.531 118.965 -0.434 18901 3052 1 5 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.206 -0.811 18901 3053 1 5 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.441 -1.759 18901 3054 1 5 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.159 1.213 18901 3055 1 5 . 1 1 118 118 GLU H H 118 7.891 7.891 8.155 -0.264 18901 3056 1 5 . 1 1 119 119 THR N N 119 121.831 121.831 116.067 5.764 18901 3057 1 5 . 1 1 119 119 THR HA H 119 4.267 4.267 4.495 -0.228 18901 3058 1 5 . 1 1 119 119 THR CA C 119 55.604 55.604 60.996 -5.392 18901 3059 1 5 . 1 1 119 119 THR CB C 119 69.285 69.285 69.672 -0.387 18901 3060 1 5 . 1 1 119 119 THR H H 119 7.892 7.892 7.863 0.029 18901 3061 1 6 . 1 1 6 6 PHE N N 6 117.872 117.872 119.543 -1.671 18901 3062 1 6 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.900 -0.110 18901 3063 1 6 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.373 0.653 18901 3064 1 6 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.759 -1.499 18901 3065 1 6 . 1 1 6 6 PHE H H 6 7.818 7.818 7.830 -0.012 18901 3066 1 6 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.138 -58.952 18901 3067 1 6 . 1 1 8 8 GLY N N 8 101.657 101.657 107.458 -5.801 18901 3068 1 6 . 1 1 8 8 GLY CA C 8 44.176 44.176 43.879 0.297 18901 3069 1 6 . 1 1 8 8 GLY H H 8 7.927 7.927 7.616 0.311 18901 3070 1 6 . 1 1 9 9 ALA N N 9 120.767 120.767 121.844 -1.077 18901 3071 1 6 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.069 0.796 18901 3072 1 6 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.598 -1.400 18901 3073 1 6 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.634 1.304 18901 3074 1 6 . 1 1 9 9 ALA H H 9 8.235 8.235 7.879 0.356 18901 3075 1 6 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.673 -0.316 18901 3076 1 6 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.944 0.368 18901 3077 1 6 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.370 0.441 18901 3078 1 6 . 1 1 11 11 CYS N N 11 114.905 114.905 120.421 -5.516 18901 3079 1 6 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.735 0.203 18901 3080 1 6 . 1 1 11 11 CYS C C 11 172.706 172.706 174.858 -2.152 18901 3081 1 6 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.792 -0.954 18901 3082 1 6 . 1 1 11 11 CYS CB C 11 32.139 32.139 30.391 1.748 18901 3083 1 6 . 1 1 11 11 CYS H H 11 8.084 8.084 7.942 0.142 18901 3084 1 6 . 1 1 12 12 ALA N N 12 120.844 120.844 121.726 -0.882 18901 3085 1 6 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.126 -0.199 18901 3086 1 6 . 1 1 12 12 ALA C C 12 176.005 176.005 177.019 -1.014 18901 3087 1 6 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.622 -0.858 18901 3088 1 6 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.595 0.001 18901 3089 1 6 . 1 1 12 12 ALA H H 12 8.535 8.535 8.481 0.054 18901 3090 1 6 . 1 1 13 13 ILE N N 13 116.800 116.800 119.199 -2.399 18901 3091 1 6 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.258 0.195 18901 3092 1 6 . 1 1 13 13 ILE C C 13 177.506 177.506 175.897 1.609 18901 3093 1 6 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.789 -0.454 18901 3094 1 6 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.718 -0.850 18901 3095 1 6 . 1 1 13 13 ILE H H 13 7.802 7.802 7.864 -0.062 18901 3096 1 6 . 1 1 14 14 LYS N N 14 129.030 129.030 127.499 1.531 18901 3097 1 6 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.649 -0.052 18901 3098 1 6 . 1 1 14 14 LYS C C 14 175.508 175.508 174.583 0.925 18901 3099 1 6 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.774 0.778 18901 3100 1 6 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.423 -1.135 18901 3101 1 6 . 1 1 14 14 LYS H H 14 9.249 9.249 8.538 0.711 18901 3102 1 6 . 1 1 15 15 ILE N N 15 121.333 121.333 118.708 2.625 18901 3103 1 6 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.967 -0.383 18901 3104 1 6 . 1 1 15 15 ILE C C 15 175.983 175.983 175.429 0.554 18901 3105 1 6 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.730 1.078 18901 3106 1 6 . 1 1 15 15 ILE CB C 15 40.620 40.620 42.033 -1.413 18901 3107 1 6 . 1 1 15 15 ILE H H 15 8.231 8.231 8.302 -0.071 18901 3108 1 6 . 1 1 16 16 SER N N 16 120.251 120.251 117.544 2.707 18901 3109 1 6 . 1 1 16 16 SER HA H 16 4.933 4.933 4.824 0.109 18901 3110 1 6 . 1 1 16 16 SER C C 16 173.725 173.725 172.945 0.780 18901 3111 1 6 . 1 1 16 16 SER CA C 16 56.656 56.656 57.235 -0.579 18901 3112 1 6 . 1 1 16 16 SER CB C 16 65.750 65.750 66.109 -0.359 18901 3113 1 6 . 1 1 16 16 SER H H 16 8.694 8.694 8.873 -0.179 18901 3114 1 6 . 1 1 17 17 LYS N N 17 124.155 124.155 125.114 -0.959 18901 3115 1 6 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.200 0.460 18901 3116 1 6 . 1 1 17 17 LYS C C 17 175.815 175.815 175.632 0.183 18901 3117 1 6 . 1 1 17 17 LYS CA C 17 57.275 57.275 57.354 -0.079 18901 3118 1 6 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.413 1.153 18901 3119 1 6 . 1 1 17 17 LYS H H 17 8.985 8.985 8.852 0.133 18901 3120 1 6 . 1 1 18 18 SER N N 18 121.663 121.663 119.432 2.231 18901 3121 1 6 . 1 1 18 18 SER HA H 18 5.076 5.076 4.998 0.078 18901 3122 1 6 . 1 1 18 18 SER CA C 18 56.676 56.676 55.608 1.068 18901 3123 1 6 . 1 1 18 18 SER CB C 18 64.993 64.993 64.666 0.327 18901 3124 1 6 . 1 1 18 18 SER H H 18 8.555 8.555 8.147 0.408 18901 3125 1 6 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.535 -0.201 18901 3126 1 6 . 1 1 19 19 PRO C C 19 177.406 177.406 176.248 1.158 18901 3127 1 6 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.719 0.770 18901 3128 1 6 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.122 -0.057 18901 3129 1 6 . 1 1 20 20 ASP N N 20 110.573 110.573 114.197 -3.624 18901 3130 1 6 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.897 -0.218 18901 3131 1 6 . 1 1 20 20 ASP C C 20 176.667 176.667 176.253 0.414 18901 3132 1 6 . 1 1 20 20 ASP CA C 20 53.558 53.558 52.538 1.020 18901 3133 1 6 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.032 0.391 18901 3134 1 6 . 1 1 20 20 ASP H H 20 8.019 8.019 8.415 -0.396 18901 3135 1 6 . 1 1 21 21 GLY N N 21 107.592 107.592 106.611 0.981 18901 3136 1 6 . 1 1 21 21 GLY C C 21 172.365 172.365 172.371 -0.006 18901 3137 1 6 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.164 0.566 18901 3138 1 6 . 1 1 21 21 GLY H H 21 7.623 7.623 7.388 0.235 18901 3139 1 6 . 1 1 22 22 ALA N N 22 123.764 123.764 122.915 0.849 18901 3140 1 6 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.135 -0.348 18901 3141 1 6 . 1 1 22 22 ALA C C 22 175.801 175.801 176.360 -0.559 18901 3142 1 6 . 1 1 22 22 ALA CA C 22 50.779 50.779 49.964 0.815 18901 3143 1 6 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.218 -0.084 18901 3144 1 6 . 1 1 22 22 ALA H H 22 8.704 8.704 8.171 0.533 18901 3145 1 6 . 1 1 23 23 HIS N N 23 120.666 120.666 124.773 -4.107 18901 3146 1 6 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.288 0.693 18901 3147 1 6 . 1 1 23 23 HIS C C 23 174.199 174.199 173.961 0.238 18901 3148 1 6 . 1 1 23 23 HIS CA C 23 54.267 54.267 58.391 -4.123 18901 3149 1 6 . 1 1 23 23 HIS CB C 23 29.989 29.989 29.471 0.518 18901 3150 1 6 . 1 1 23 23 HIS H H 23 9.088 9.088 8.634 0.454 18901 3151 1 6 . 1 1 24 24 LEU N N 24 127.467 127.467 125.650 1.817 18901 3152 1 6 . 1 1 24 24 LEU HA H 24 5.180 5.180 5.120 0.060 18901 3153 1 6 . 1 1 24 24 LEU C C 24 176.430 176.430 176.154 0.276 18901 3154 1 6 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.228 2.300 18901 3155 1 6 . 1 1 24 24 LEU CB C 24 44.957 44.957 45.400 -0.443 18901 3156 1 6 . 1 1 24 24 LEU H H 24 8.702 8.702 7.809 0.893 18901 3157 1 6 . 1 1 25 25 THR N N 25 111.459 111.459 114.193 -2.734 18901 3158 1 6 . 1 1 25 25 THR HA H 25 4.186 4.186 3.886 0.300 18901 3159 1 6 . 1 1 25 25 THR C C 25 172.720 172.720 172.303 0.417 18901 3160 1 6 . 1 1 25 25 THR CA C 25 60.798 60.798 60.186 0.612 18901 3161 1 6 . 1 1 25 25 THR CB C 25 72.021 72.021 70.927 1.094 18901 3162 1 6 . 1 1 25 25 THR H H 25 8.643 8.643 8.347 0.296 18901 3163 1 6 . 1 1 26 26 TRP N N 26 117.073 117.073 121.326 -4.253 18901 3164 1 6 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.240 -0.207 18901 3165 1 6 . 1 1 26 26 TRP C C 26 173.425 173.425 173.951 -0.526 18901 3166 1 6 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.838 0.849 18901 3167 1 6 . 1 1 26 26 TRP CB C 26 30.157 30.157 30.859 -0.702 18901 3168 1 6 . 1 1 26 26 TRP H H 26 7.301 7.301 7.296 0.005 18901 3169 1 6 . 1 1 27 27 GLU N N 27 115.563 115.563 119.404 -3.841 18901 3170 1 6 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.913 -0.091 18901 3171 1 6 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.217 -0.328 18901 3172 1 6 . 1 1 27 27 GLU CB C 27 30.830 30.830 32.877 -2.047 18901 3173 1 6 . 1 1 27 27 GLU H H 27 8.753 8.753 8.308 0.445 18901 3174 1 6 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.778 -0.439 18901 3175 1 6 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.665 3.882 18901 3176 1 6 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.216 0.925 18901 3177 1 6 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.564 -0.279 18901 3178 1 6 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.875 -0.895 18901 3179 1 6 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.573 0.311 18901 3180 1 6 . 1 1 30 30 SER N N 30 110.838 110.838 119.118 -8.280 18901 3181 1 6 . 1 1 30 30 SER HA H 30 3.910 3.910 4.793 -0.883 18901 3182 1 6 . 1 1 30 30 SER CA C 30 56.967 56.967 58.239 -1.272 18901 3183 1 6 . 1 1 30 30 SER CB C 30 64.771 64.771 62.739 2.032 18901 3184 1 6 . 1 1 30 30 SER H H 30 8.317 8.317 8.608 -0.291 18901 3185 1 6 . 1 1 31 31 VAL N N 31 114.209 114.209 118.012 -3.803 18901 3186 1 6 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.271 -0.063 18901 3187 1 6 . 1 1 31 31 VAL CA C 31 61.780 61.780 61.867 -0.087 18901 3188 1 6 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.912 -0.141 18901 3189 1 6 . 1 1 31 31 VAL H H 31 8.320 8.320 7.805 0.515 18901 3190 1 6 . 1 1 32 32 THR N N 32 119.600 119.600 112.732 6.868 18901 3191 1 6 . 1 1 32 32 THR HA H 32 4.179 4.179 4.662 -0.483 18901 3192 1 6 . 1 1 32 32 THR CA C 32 60.465 60.465 60.774 -0.309 18901 3193 1 6 . 1 1 32 32 THR CB C 32 63.211 63.211 71.683 -8.472 18901 3194 1 6 . 1 1 32 32 THR H H 32 7.828 7.828 7.741 0.087 18901 3195 1 6 . 1 1 33 33 SER N N 33 115.967 115.967 117.324 -1.357 18901 3196 1 6 . 1 1 33 33 SER HA H 33 4.179 4.179 4.287 -0.108 18901 3197 1 6 . 1 1 33 33 SER C C 33 174.332 174.332 175.262 -0.930 18901 3198 1 6 . 1 1 33 33 SER CA C 33 60.428 60.428 59.400 1.028 18901 3199 1 6 . 1 1 33 33 SER CB C 33 62.209 62.209 63.280 -1.071 18901 3200 1 6 . 1 1 33 33 SER H H 33 8.292 8.292 8.358 -0.066 18901 3201 1 6 . 1 1 34 34 GLY N N 34 106.879 106.879 109.456 -2.577 18901 3202 1 6 . 1 1 34 34 GLY C C 34 173.709 173.709 173.647 0.062 18901 3203 1 6 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.423 -0.052 18901 3204 1 6 . 1 1 34 34 GLY H H 34 7.848 7.848 8.036 -0.188 18901 3205 1 6 . 1 1 35 35 LYS N N 35 122.205 122.205 124.180 -1.975 18901 3206 1 6 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.407 -0.097 18901 3207 1 6 . 1 1 35 35 LYS C C 35 176.262 176.262 175.572 0.690 18901 3208 1 6 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.008 0.663 18901 3209 1 6 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.707 1.540 18901 3210 1 6 . 1 1 35 35 LYS H H 35 8.628 8.628 8.434 0.194 18901 3211 1 6 . 1 1 36 36 ILE N N 36 120.178 120.178 123.671 -3.493 18901 3212 1 6 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.913 0.208 18901 3213 1 6 . 1 1 36 36 ILE C C 36 177.751 177.751 176.764 0.987 18901 3214 1 6 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.416 -3.495 18901 3215 1 6 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.593 -3.281 18901 3216 1 6 . 1 1 36 36 ILE H H 36 8.344 8.344 8.124 0.220 18901 3217 1 6 . 1 1 37 37 ILE N N 37 122.285 122.285 120.575 1.710 18901 3218 1 6 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.565 -0.348 18901 3219 1 6 . 1 1 37 37 ILE C C 37 176.085 176.085 175.992 0.093 18901 3220 1 6 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.050 -0.108 18901 3221 1 6 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.326 -0.527 18901 3222 1 6 . 1 1 37 37 ILE H H 37 8.460 8.460 8.998 -0.538 18901 3223 1 6 . 1 1 38 38 GLU N N 38 116.489 116.489 118.790 -2.301 18901 3224 1 6 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.783 -0.614 18901 3225 1 6 . 1 1 38 38 GLU C C 38 171.864 171.864 174.289 -2.425 18901 3226 1 6 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.424 0.552 18901 3227 1 6 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.579 0.901 18901 3228 1 6 . 1 1 38 38 GLU H H 38 7.143 7.143 8.029 -0.886 18901 3229 1 6 . 1 1 39 39 TYR N N 39 118.418 118.418 117.625 0.793 18901 3230 1 6 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.185 0.510 18901 3231 1 6 . 1 1 39 39 TYR C C 39 176.190 176.190 175.218 0.972 18901 3232 1 6 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.246 -0.335 18901 3233 1 6 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.107 0.629 18901 3234 1 6 . 1 1 39 39 TYR H H 39 8.860 8.860 8.385 0.475 18901 3235 1 6 . 1 1 40 40 SER N N 40 111.613 111.613 114.704 -3.091 18901 3236 1 6 . 1 1 40 40 SER HA H 40 5.497 5.497 3.901 1.596 18901 3237 1 6 . 1 1 40 40 SER C C 40 172.888 172.888 171.928 0.960 18901 3238 1 6 . 1 1 40 40 SER CA C 40 58.729 58.729 56.780 1.949 18901 3239 1 6 . 1 1 40 40 SER CB C 40 69.596 69.596 66.623 2.973 18901 3240 1 6 . 1 1 40 40 SER H H 40 8.705 8.705 8.355 0.350 18901 3241 1 6 . 1 1 41 41 VAL N N 41 119.202 119.202 121.321 -2.119 18901 3242 1 6 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.629 0.207 18901 3243 1 6 . 1 1 41 41 VAL C C 41 175.106 175.106 173.954 1.152 18901 3244 1 6 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.521 -0.855 18901 3245 1 6 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.434 0.257 18901 3246 1 6 . 1 1 41 41 VAL H H 41 8.428 8.428 7.809 0.619 18901 3247 1 6 . 1 1 42 42 TYR N N 42 124.792 124.792 125.344 -0.552 18901 3248 1 6 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.966 0.530 18901 3249 1 6 . 1 1 42 42 TYR C C 42 174.659 174.659 173.797 0.862 18901 3250 1 6 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.121 -0.361 18901 3251 1 6 . 1 1 42 42 TYR CB C 42 42.396 42.396 42.019 0.377 18901 3252 1 6 . 1 1 42 42 TYR H H 42 9.773 9.773 9.285 0.488 18901 3253 1 6 . 1 1 43 43 LEU N N 43 123.210 123.210 124.119 -0.909 18901 3254 1 6 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.933 0.320 18901 3255 1 6 . 1 1 43 43 LEU C C 43 176.296 176.296 175.165 1.131 18901 3256 1 6 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.047 0.299 18901 3257 1 6 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.031 2.518 18901 3258 1 6 . 1 1 43 43 LEU H H 43 9.368 9.368 8.854 0.514 18901 3259 1 6 . 1 1 44 44 ALA N N 44 127.556 127.556 129.523 -1.967 18901 3260 1 6 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.519 -0.195 18901 3261 1 6 . 1 1 44 44 ALA C C 44 178.318 178.318 176.554 1.764 18901 3262 1 6 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.817 -0.073 18901 3263 1 6 . 1 1 44 44 ALA CB C 44 18.649 18.649 18.909 -0.260 18901 3264 1 6 . 1 1 44 44 ALA H H 44 8.366 8.366 8.260 0.106 18901 3265 1 6 . 1 1 45 45 ILE N N 45 119.672 119.672 120.739 -1.067 18901 3266 1 6 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.165 -0.422 18901 3267 1 6 . 1 1 45 45 ILE C C 45 175.937 175.937 175.078 0.859 18901 3268 1 6 . 1 1 45 45 ILE CA C 45 60.120 60.120 57.289 2.831 18901 3269 1 6 . 1 1 45 45 ILE CB C 45 41.789 41.789 40.926 0.863 18901 3270 1 6 . 1 1 45 45 ILE H H 45 8.599 8.599 8.270 0.329 18901 3271 1 6 . 1 1 46 46 GLN N N 46 120.248 120.248 121.565 -1.317 18901 3272 1 6 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.288 0.119 18901 3273 1 6 . 1 1 46 46 GLN C C 46 176.355 176.355 175.846 0.509 18901 3274 1 6 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.335 -0.521 18901 3275 1 6 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.874 0.966 18901 3276 1 6 . 1 1 46 46 GLN H H 46 8.207 8.207 8.236 -0.029 18901 3277 1 6 . 1 1 47 47 SER N N 47 117.541 117.541 117.049 0.492 18901 3278 1 6 . 1 1 47 47 SER HA H 47 4.445 4.445 4.245 0.200 18901 3279 1 6 . 1 1 47 47 SER C C 47 175.100 175.100 173.077 2.023 18901 3280 1 6 . 1 1 47 47 SER CA C 47 57.957 57.957 59.536 -1.579 18901 3281 1 6 . 1 1 47 47 SER CB C 47 64.188 64.188 62.172 2.016 18901 3282 1 6 . 1 1 47 47 SER H H 47 8.316 8.316 9.047 -0.731 18901 3283 1 6 . 1 1 48 48 SER N N 48 116.421 116.421 117.191 -0.770 18901 3284 1 6 . 1 1 48 48 SER HA H 48 4.446 4.446 4.647 -0.201 18901 3285 1 6 . 1 1 48 48 SER CA C 48 58.395 58.395 57.584 0.812 18901 3286 1 6 . 1 1 48 48 SER CB C 48 63.932 63.932 64.820 -0.888 18901 3287 1 6 . 1 1 48 48 SER H H 48 8.096 8.096 7.839 0.257 18901 3288 1 6 . 1 1 49 49 GLN N N 49 120.755 120.755 120.688 0.067 18901 3289 1 6 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.564 -0.253 18901 3290 1 6 . 1 1 49 49 GLN C C 49 176.420 176.420 174.542 1.878 18901 3291 1 6 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.617 0.225 18901 3292 1 6 . 1 1 49 49 GLN CB C 49 29.751 29.751 29.353 0.398 18901 3293 1 6 . 1 1 49 49 GLN H H 49 8.308 8.308 8.538 -0.230 18901 3294 1 6 . 1 1 50 50 ALA N N 50 124.199 124.199 122.915 1.284 18901 3295 1 6 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.535 -0.223 18901 3296 1 6 . 1 1 50 50 ALA C C 50 178.375 178.375 175.926 2.449 18901 3297 1 6 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.677 0.943 18901 3298 1 6 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.364 -1.911 18901 3299 1 6 . 1 1 50 50 ALA H H 50 8.219 8.219 7.719 0.500 18901 3300 1 6 . 1 1 51 51 SER N N 51 113.652 113.652 116.305 -2.653 18901 3301 1 6 . 1 1 51 51 SER HA H 51 4.307 4.307 4.712 -0.405 18901 3302 1 6 . 1 1 51 51 SER C C 51 175.739 175.739 173.605 2.134 18901 3303 1 6 . 1 1 51 51 SER CA C 51 52.695 52.695 59.476 -6.781 18901 3304 1 6 . 1 1 51 51 SER CB C 51 62.104 62.104 63.948 -1.844 18901 3305 1 6 . 1 1 51 51 SER H H 51 8.148 8.148 8.648 -0.500 18901 3306 1 6 . 1 1 52 52 GLY N N 52 109.442 109.442 112.802 -3.360 18901 3307 1 6 . 1 1 52 52 GLY C C 52 174.511 174.511 172.441 2.070 18901 3308 1 6 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.822 -0.424 18901 3309 1 6 . 1 1 52 52 GLY H H 52 8.267 8.267 7.979 0.288 18901 3310 1 6 . 1 1 53 53 GLU N N 53 120.137 120.137 119.688 0.449 18901 3311 1 6 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.765 -0.212 18901 3312 1 6 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.654 0.401 18901 3313 1 6 . 1 1 53 53 GLU CB C 53 29.844 29.844 32.365 -2.522 18901 3314 1 6 . 1 1 53 53 GLU H H 53 7.951 7.951 8.239 -0.288 18901 3315 1 6 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.399 -0.034 18901 3316 1 6 . 1 1 54 54 PRO C C 54 177.830 177.830 176.633 1.197 18901 3317 1 6 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.779 -0.069 18901 3318 1 6 . 1 1 54 54 PRO CB C 54 32.712 32.712 31.870 0.842 18901 3319 1 6 . 1 1 55 55 LYS N N 55 119.406 119.406 119.238 0.168 18901 3320 1 6 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.975 0.290 18901 3321 1 6 . 1 1 55 55 LYS C C 55 177.347 177.347 176.467 0.880 18901 3322 1 6 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.718 -1.021 18901 3323 1 6 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.013 2.233 18901 3324 1 6 . 1 1 55 55 LYS H H 55 8.315 8.315 8.682 -0.367 18901 3325 1 6 . 1 1 56 56 SER N N 56 114.624 114.624 115.093 -0.469 18901 3326 1 6 . 1 1 56 56 SER HA H 56 4.564 4.564 4.470 0.094 18901 3327 1 6 . 1 1 56 56 SER C C 56 175.285 175.285 175.404 -0.119 18901 3328 1 6 . 1 1 56 56 SER CA C 56 60.090 60.090 60.174 -0.084 18901 3329 1 6 . 1 1 56 56 SER CB C 56 63.305 63.305 64.192 -0.886 18901 3330 1 6 . 1 1 56 56 SER H H 56 8.090 8.090 7.907 0.183 18901 3331 1 6 . 1 1 57 57 SER N N 57 116.016 116.016 115.146 0.870 18901 3332 1 6 . 1 1 57 57 SER HA H 57 4.455 4.455 4.727 -0.272 18901 3333 1 6 . 1 1 57 57 SER C C 57 174.988 174.988 173.711 1.277 18901 3334 1 6 . 1 1 57 57 SER CA C 57 58.332 58.332 59.117 -0.785 18901 3335 1 6 . 1 1 57 57 SER CB C 57 63.876 63.876 64.528 -0.652 18901 3336 1 6 . 1 1 57 57 SER H H 57 8.224 8.224 8.229 -0.005 18901 3337 1 6 . 1 1 58 58 THR N N 58 116.090 116.090 117.925 -1.835 18901 3338 1 6 . 1 1 58 58 THR HA H 58 4.602 4.602 4.845 -0.243 18901 3339 1 6 . 1 1 58 58 THR CA C 58 59.935 59.935 58.760 1.175 18901 3340 1 6 . 1 1 58 58 THR CB C 58 69.773 69.773 68.769 1.004 18901 3341 1 6 . 1 1 58 58 THR H H 58 7.939 7.939 8.179 -0.240 18901 3342 1 6 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.514 -0.233 18901 3343 1 6 . 1 1 59 59 PRO C C 59 177.272 177.272 175.694 1.578 18901 3344 1 6 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.754 -0.678 18901 3345 1 6 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.751 2.027 18901 3346 1 6 . 1 1 60 60 ALA N N 60 122.319 122.319 126.572 -4.253 18901 3347 1 6 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.297 -0.078 18901 3348 1 6 . 1 1 60 60 ALA C C 60 178.277 178.277 176.480 1.797 18901 3349 1 6 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.297 0.202 18901 3350 1 6 . 1 1 60 60 ALA CB C 60 19.459 19.459 19.658 -0.199 18901 3351 1 6 . 1 1 60 60 ALA H H 60 8.156 8.156 8.075 0.081 18901 3352 1 6 . 1 1 61 61 GLN N N 61 117.680 117.680 116.320 1.360 18901 3353 1 6 . 1 1 61 61 GLN HA H 61 4.278 4.278 3.886 0.392 18901 3354 1 6 . 1 1 61 61 GLN C C 61 176.148 176.148 174.163 1.985 18901 3355 1 6 . 1 1 61 61 GLN CA C 61 55.525 55.525 56.415 -0.890 18901 3356 1 6 . 1 1 61 61 GLN CB C 61 30.044 30.044 27.860 2.184 18901 3357 1 6 . 1 1 61 61 GLN H H 61 8.016 8.016 8.274 -0.258 18901 3358 1 6 . 1 1 62 62 LEU N N 62 121.805 121.805 116.863 4.942 18901 3359 1 6 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.473 -0.344 18901 3360 1 6 . 1 1 62 62 LEU C C 62 176.202 176.202 175.588 0.614 18901 3361 1 6 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.956 1.618 18901 3362 1 6 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.048 0.242 18901 3363 1 6 . 1 1 62 62 LEU H H 62 7.968 7.968 7.918 0.050 18901 3364 1 6 . 1 1 63 63 ALA N N 63 124.947 124.947 123.381 1.566 18901 3365 1 6 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.516 -0.020 18901 3366 1 6 . 1 1 63 63 ALA C C 63 176.252 176.252 175.935 0.317 18901 3367 1 6 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.281 -0.483 18901 3368 1 6 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.583 0.063 18901 3369 1 6 . 1 1 63 63 ALA H H 63 8.434 8.434 7.983 0.451 18901 3370 1 6 . 1 1 64 64 PHE N N 64 117.099 117.099 122.575 -5.476 18901 3371 1 6 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.965 0.119 18901 3372 1 6 . 1 1 64 64 PHE C C 64 176.403 176.403 174.941 1.462 18901 3373 1 6 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.248 1.485 18901 3374 1 6 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.824 -0.014 18901 3375 1 6 . 1 1 64 64 PHE H H 64 8.446 8.446 8.657 -0.211 18901 3376 1 6 . 1 1 65 65 MET N N 65 120.470 120.470 120.467 0.003 18901 3377 1 6 . 1 1 65 65 MET HA H 65 4.902 4.902 4.483 0.419 18901 3378 1 6 . 1 1 65 65 MET CA C 65 53.984 53.984 56.397 -2.413 18901 3379 1 6 . 1 1 65 65 MET CB C 65 36.825 36.825 33.344 3.481 18901 3380 1 6 . 1 1 65 65 MET H H 65 9.050 9.050 8.671 0.379 18901 3381 1 6 . 1 1 66 66 ARG N N 66 120.685 120.685 117.127 3.558 18901 3382 1 6 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.180 -0.037 18901 3383 1 6 . 1 1 66 66 ARG C C 66 176.916 176.916 175.607 1.309 18901 3384 1 6 . 1 1 66 66 ARG CA C 66 57.962 57.962 57.242 0.720 18901 3385 1 6 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.617 3.455 18901 3386 1 6 . 1 1 66 66 ARG H H 66 7.540 7.540 8.242 -0.702 18901 3387 1 6 . 1 1 67 67 VAL N N 67 117.677 117.677 112.484 5.193 18901 3388 1 6 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.923 0.791 18901 3389 1 6 . 1 1 67 67 VAL C C 67 175.777 175.777 176.010 -0.233 18901 3390 1 6 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.481 -2.562 18901 3391 1 6 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.405 2.009 18901 3392 1 6 . 1 1 67 67 VAL H H 67 8.859 8.859 7.847 1.012 18901 3393 1 6 . 1 1 68 68 TYR N N 68 120.707 120.707 122.568 -1.861 18901 3394 1 6 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.165 0.612 18901 3395 1 6 . 1 1 68 68 TYR C C 68 173.712 173.712 174.683 -0.971 18901 3396 1 6 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.905 -1.600 18901 3397 1 6 . 1 1 68 68 TYR CB C 68 43.056 43.056 37.770 5.286 18901 3398 1 6 . 1 1 68 68 TYR H H 68 7.539 7.539 7.565 -0.026 18901 3399 1 6 . 1 1 69 69 CYS N N 69 127.927 127.927 127.548 0.379 18901 3400 1 6 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.523 0.546 18901 3401 1 6 . 1 1 69 69 CYS C C 69 174.094 174.094 172.887 1.207 18901 3402 1 6 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.288 -1.098 18901 3403 1 6 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.890 -0.899 18901 3404 1 6 . 1 1 69 69 CYS H H 69 7.601 7.601 7.984 -0.383 18901 3405 1 6 . 1 1 70 70 GLY N N 70 114.822 114.822 111.309 3.513 18901 3406 1 6 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.432 2.714 18901 3407 1 6 . 1 1 70 70 GLY H H 70 8.336 8.336 7.208 1.128 18901 3408 1 6 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.496 0.052 18901 3409 1 6 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.560 0.104 18901 3410 1 6 . 1 1 72 72 SER N N 72 112.451 112.451 115.777 -3.326 18901 3411 1 6 . 1 1 72 72 SER HA H 72 4.850 4.850 4.832 0.018 18901 3412 1 6 . 1 1 72 72 SER CA C 72 56.874 56.874 56.272 0.602 18901 3413 1 6 . 1 1 72 72 SER CB C 72 63.248 63.248 63.378 -0.130 18901 3414 1 6 . 1 1 72 72 SER H H 72 7.327 7.327 8.196 -0.869 18901 3415 1 6 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.644 -0.451 18901 3416 1 6 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.784 0.771 18901 3417 1 6 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.261 -0.025 18901 3418 1 6 . 1 1 74 74 SER N N 74 111.450 111.450 111.930 -0.480 18901 3419 1 6 . 1 1 74 74 SER HA H 74 3.907 3.907 2.796 1.111 18901 3420 1 6 . 1 1 74 74 SER CA C 74 56.710 56.710 58.308 -1.598 18901 3421 1 6 . 1 1 74 74 SER CB C 74 64.647 64.647 61.419 3.228 18901 3422 1 6 . 1 1 74 74 SER H H 74 6.909 6.909 8.677 -1.768 18901 3423 1 6 . 1 1 75 75 CYS N N 75 124.103 124.103 116.902 7.201 18901 3424 1 6 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.414 -0.855 18901 3425 1 6 . 1 1 75 75 CYS C C 75 171.568 171.568 175.353 -3.785 18901 3426 1 6 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.250 3.950 18901 3427 1 6 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.906 -2.655 18901 3428 1 6 . 1 1 75 75 CYS H H 75 6.017 6.017 8.109 -2.092 18901 3429 1 6 . 1 1 76 76 LEU N N 76 121.191 121.191 120.644 0.547 18901 3430 1 6 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.357 0.466 18901 3431 1 6 . 1 1 76 76 LEU C C 76 176.786 176.786 175.176 1.610 18901 3432 1 6 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.777 -1.412 18901 3433 1 6 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.770 1.456 18901 3434 1 6 . 1 1 76 76 LEU H H 76 8.015 8.015 7.940 0.075 18901 3435 1 6 . 1 1 77 77 VAL N N 77 126.347 126.347 119.726 6.621 18901 3436 1 6 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.390 -0.138 18901 3437 1 6 . 1 1 77 77 VAL C C 77 175.529 175.529 174.433 1.096 18901 3438 1 6 . 1 1 77 77 VAL CA C 77 61.651 61.651 59.500 2.151 18901 3439 1 6 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.650 -2.974 18901 3440 1 6 . 1 1 77 77 VAL H H 77 9.084 9.084 8.027 1.057 18901 3441 1 6 . 1 1 78 78 GLN N N 78 124.566 124.566 125.103 -0.537 18901 3442 1 6 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.240 0.275 18901 3443 1 6 . 1 1 78 78 GLN C C 78 178.805 178.805 177.046 1.759 18901 3444 1 6 . 1 1 78 78 GLN CA C 78 56.916 56.916 57.091 -0.175 18901 3445 1 6 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.246 1.152 18901 3446 1 6 . 1 1 78 78 GLN H H 78 8.908 8.908 8.631 0.277 18901 3447 1 6 . 1 1 79 79 SER N N 79 116.974 116.974 120.444 -3.470 18901 3448 1 6 . 1 1 79 79 SER HA H 79 4.087 4.087 4.072 0.015 18901 3449 1 6 . 1 1 79 79 SER C C 79 177.179 177.179 176.327 0.852 18901 3450 1 6 . 1 1 79 79 SER CA C 79 62.454 62.454 62.288 0.166 18901 3451 1 6 . 1 1 79 79 SER CB C 79 62.787 62.787 63.008 -0.221 18901 3452 1 6 . 1 1 79 79 SER H H 79 8.458 8.458 9.005 -0.547 18901 3453 1 6 . 1 1 80 80 SER N N 80 114.734 114.734 117.665 -2.931 18901 3454 1 6 . 1 1 80 80 SER HA H 80 4.211 4.211 4.181 0.030 18901 3455 1 6 . 1 1 80 80 SER C C 80 177.853 177.853 175.426 2.427 18901 3456 1 6 . 1 1 80 80 SER CA C 80 61.190 61.190 60.882 0.308 18901 3457 1 6 . 1 1 80 80 SER CB C 80 62.358 62.358 62.550 -0.192 18901 3458 1 6 . 1 1 80 80 SER H H 80 8.537 8.537 8.446 0.091 18901 3459 1 6 . 1 1 81 81 SER N N 81 117.137 117.137 117.032 0.105 18901 3460 1 6 . 1 1 81 81 SER HA H 81 4.455 4.455 4.350 0.105 18901 3461 1 6 . 1 1 81 81 SER C C 81 175.702 175.702 176.344 -0.642 18901 3462 1 6 . 1 1 81 81 SER CA C 81 61.433 61.433 61.404 0.029 18901 3463 1 6 . 1 1 81 81 SER CB C 81 63.130 63.130 62.961 0.169 18901 3464 1 6 . 1 1 81 81 SER H H 81 7.514 7.514 8.031 -0.517 18901 3465 1 6 . 1 1 82 82 LEU N N 82 117.548 117.548 122.146 -4.598 18901 3466 1 6 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.221 -0.188 18901 3467 1 6 . 1 1 82 82 LEU C C 82 179.445 179.445 178.812 0.633 18901 3468 1 6 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.673 -0.971 18901 3469 1 6 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.809 -0.021 18901 3470 1 6 . 1 1 82 82 LEU H H 82 7.629 7.629 7.504 0.125 18901 3471 1 6 . 1 1 83 83 SER N N 83 113.258 113.258 112.821 0.437 18901 3472 1 6 . 1 1 83 83 SER HA H 83 4.214 4.214 4.311 -0.097 18901 3473 1 6 . 1 1 83 83 SER C C 83 175.256 175.256 174.805 0.451 18901 3474 1 6 . 1 1 83 83 SER CA C 83 61.192 61.192 60.688 0.504 18901 3475 1 6 . 1 1 83 83 SER CB C 83 63.544 63.544 62.370 1.174 18901 3476 1 6 . 1 1 83 83 SER H H 83 7.805 7.805 8.301 -0.496 18901 3477 1 6 . 1 1 84 84 ASN N N 84 116.565 116.565 116.828 -0.263 18901 3478 1 6 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.929 -0.007 18901 3479 1 6 . 1 1 84 84 ASN C C 84 175.063 175.063 173.772 1.291 18901 3480 1 6 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.380 -0.708 18901 3481 1 6 . 1 1 84 84 ASN CB C 84 39.691 39.691 41.183 -1.492 18901 3482 1 6 . 1 1 84 84 ASN H H 84 7.612 7.612 7.686 -0.074 18901 3483 1 6 . 1 1 85 85 ALA N N 85 119.819 119.819 122.874 -3.055 18901 3484 1 6 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.362 -0.113 18901 3485 1 6 . 1 1 85 85 ALA C C 85 178.113 178.113 177.824 0.289 18901 3486 1 6 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.498 0.567 18901 3487 1 6 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.428 0.392 18901 3488 1 6 . 1 1 85 85 ALA H H 85 7.558 7.558 7.327 0.231 18901 3489 1 6 . 1 1 86 86 HIS N N 86 118.388 118.388 122.907 -4.519 18901 3490 1 6 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.502 -0.097 18901 3491 1 6 . 1 1 86 86 HIS C C 86 175.333 175.333 174.430 0.903 18901 3492 1 6 . 1 1 86 86 HIS CA C 86 55.619 55.619 54.726 0.893 18901 3493 1 6 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.622 -1.424 18901 3494 1 6 . 1 1 86 86 HIS H H 86 8.280 8.280 8.737 -0.457 18901 3495 1 6 . 1 1 87 87 ILE N N 87 126.618 126.618 120.466 6.152 18901 3496 1 6 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.482 -0.427 18901 3497 1 6 . 1 1 87 87 ILE C C 87 174.718 174.718 175.900 -1.182 18901 3498 1 6 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.467 0.960 18901 3499 1 6 . 1 1 87 87 ILE CB C 87 37.442 37.442 41.137 -3.695 18901 3500 1 6 . 1 1 87 87 ILE H H 87 7.873 7.873 8.099 -0.226 18901 3501 1 6 . 1 1 88 88 ASP N N 88 124.684 124.684 125.351 -0.667 18901 3502 1 6 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.454 0.058 18901 3503 1 6 . 1 1 88 88 ASP C C 88 176.506 176.506 176.758 -0.252 18901 3504 1 6 . 1 1 88 88 ASP CA C 88 53.237 53.237 53.551 -0.314 18901 3505 1 6 . 1 1 88 88 ASP CB C 88 43.761 43.761 40.167 3.594 18901 3506 1 6 . 1 1 88 88 ASP H H 88 8.572 8.572 8.529 0.043 18901 3507 1 6 . 1 1 89 89 TYR N N 89 122.959 122.959 124.282 -1.323 18901 3508 1 6 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.353 0.026 18901 3509 1 6 . 1 1 89 89 TYR C C 89 176.631 176.631 176.564 0.067 18901 3510 1 6 . 1 1 89 89 TYR CA C 89 58.629 58.629 59.475 -0.846 18901 3511 1 6 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.271 0.191 18901 3512 1 6 . 1 1 89 89 TYR H H 89 8.533 8.533 8.030 0.503 18901 3513 1 6 . 1 1 90 90 THR N N 90 115.232 115.232 111.796 3.436 18901 3514 1 6 . 1 1 90 90 THR HA H 90 3.974 3.974 4.207 -0.233 18901 3515 1 6 . 1 1 90 90 THR C C 90 176.298 176.298 174.854 1.444 18901 3516 1 6 . 1 1 90 90 THR CA C 90 65.610 65.610 63.834 1.776 18901 3517 1 6 . 1 1 90 90 THR CB C 90 68.758 68.758 69.069 -0.311 18901 3518 1 6 . 1 1 90 90 THR H H 90 8.024 8.024 8.431 -0.407 18901 3519 1 6 . 1 1 91 91 THR N N 91 112.253 112.253 113.618 -1.365 18901 3520 1 6 . 1 1 91 91 THR HA H 91 4.290 4.290 4.392 -0.102 18901 3521 1 6 . 1 1 91 91 THR C C 91 174.644 174.644 173.337 1.307 18901 3522 1 6 . 1 1 91 91 THR CA C 91 61.288 61.288 62.609 -1.321 18901 3523 1 6 . 1 1 91 91 THR CB C 91 69.418 69.418 70.824 -1.406 18901 3524 1 6 . 1 1 91 91 THR H H 91 8.013 8.013 7.522 0.491 18901 3525 1 6 . 1 1 92 92 LYS N N 92 121.833 121.833 121.468 0.365 18901 3526 1 6 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.725 -0.266 18901 3527 1 6 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.586 0.846 18901 3528 1 6 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.869 -6.446 18901 3529 1 6 . 1 1 92 92 LYS H H 92 7.883 7.883 8.525 -0.642 18901 3530 1 6 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.332 -0.121 18901 3531 1 6 . 1 1 93 93 PRO C C 93 176.775 176.775 175.153 1.622 18901 3532 1 6 . 1 1 93 93 PRO CA C 93 63.385 63.385 63.000 0.385 18901 3533 1 6 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.059 1.155 18901 3534 1 6 . 1 1 94 94 ALA N N 94 122.487 122.487 124.894 -2.407 18901 3535 1 6 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.765 0.100 18901 3536 1 6 . 1 1 94 94 ALA C C 94 175.790 175.790 175.435 0.355 18901 3537 1 6 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.079 0.932 18901 3538 1 6 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.524 0.316 18901 3539 1 6 . 1 1 94 94 ALA H H 94 8.072 8.072 7.652 0.420 18901 3540 1 6 . 1 1 95 95 ILE N N 95 120.526 120.526 121.150 -0.624 18901 3541 1 6 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.450 -0.159 18901 3542 1 6 . 1 1 95 95 ILE C C 95 175.063 175.063 175.689 -0.626 18901 3543 1 6 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.827 -0.397 18901 3544 1 6 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.320 1.336 18901 3545 1 6 . 1 1 95 95 ILE H H 95 8.099 8.099 7.864 0.235 18901 3546 1 6 . 1 1 96 96 ILE N N 96 126.053 126.053 127.664 -1.611 18901 3547 1 6 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.364 0.590 18901 3548 1 6 . 1 1 96 96 ILE C C 96 175.609 175.609 174.976 0.633 18901 3549 1 6 . 1 1 96 96 ILE CA C 96 60.290 60.290 61.573 -1.283 18901 3550 1 6 . 1 1 96 96 ILE CB C 96 39.899 39.899 38.628 1.271 18901 3551 1 6 . 1 1 96 96 ILE H H 96 9.393 9.393 8.796 0.597 18901 3552 1 6 . 1 1 97 97 PHE N N 97 120.455 120.455 127.119 -6.664 18901 3553 1 6 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.019 0.998 18901 3554 1 6 . 1 1 97 97 PHE C C 97 177.044 177.044 175.145 1.899 18901 3555 1 6 . 1 1 97 97 PHE CA C 97 55.769 55.769 55.864 -0.095 18901 3556 1 6 . 1 1 97 97 PHE CB C 97 43.686 43.686 40.614 3.072 18901 3557 1 6 . 1 1 97 97 PHE H H 97 8.626 8.626 7.974 0.652 18901 3558 1 6 . 1 1 98 98 ARG N N 98 117.253 117.253 123.751 -6.498 18901 3559 1 6 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.047 0.394 18901 3560 1 6 . 1 1 98 98 ARG C C 98 176.125 176.125 175.601 0.524 18901 3561 1 6 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.502 -0.539 18901 3562 1 6 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.770 4.851 18901 3563 1 6 . 1 1 98 98 ARG H H 98 9.041 9.041 8.887 0.154 18901 3564 1 6 . 1 1 99 99 ILE N N 99 120.894 120.894 122.850 -1.956 18901 3565 1 6 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.950 0.069 18901 3566 1 6 . 1 1 99 99 ILE C C 99 174.486 174.486 173.969 0.517 18901 3567 1 6 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.732 1.202 18901 3568 1 6 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.351 -0.936 18901 3569 1 6 . 1 1 99 99 ILE H H 99 8.499 8.499 7.707 0.792 18901 3570 1 6 . 1 1 100 100 ALA N N 100 127.368 127.368 124.420 2.948 18901 3571 1 6 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.825 0.063 18901 3572 1 6 . 1 1 100 100 ALA C C 100 175.044 175.044 174.847 0.197 18901 3573 1 6 . 1 1 100 100 ALA CA C 100 51.356 51.356 51.081 0.275 18901 3574 1 6 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.846 1.744 18901 3575 1 6 . 1 1 100 100 ALA H H 100 8.779 8.779 7.997 0.782 18901 3576 1 6 . 1 1 101 101 ALA N N 101 123.472 123.472 122.919 0.553 18901 3577 1 6 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.851 2.267 18901 3578 1 6 . 1 1 101 101 ALA C C 101 174.314 174.314 177.023 -2.709 18901 3579 1 6 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.210 -0.642 18901 3580 1 6 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.782 5.838 18901 3581 1 6 . 1 1 101 101 ALA H H 101 9.955 9.955 8.417 1.538 18901 3582 1 6 . 1 1 102 102 ARG N N 102 119.295 119.295 125.664 -6.369 18901 3583 1 6 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.846 0.745 18901 3584 1 6 . 1 1 102 102 ARG C C 102 176.649 176.649 174.512 2.137 18901 3585 1 6 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.763 -0.692 18901 3586 1 6 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.289 3.881 18901 3587 1 6 . 1 1 102 102 ARG H H 102 8.474 8.474 7.664 0.810 18901 3588 1 6 . 1 1 103 103 ASN N N 103 124.198 124.198 122.549 1.649 18901 3589 1 6 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.334 0.120 18901 3590 1 6 . 1 1 103 103 ASN C C 103 176.327 176.327 175.319 1.008 18901 3591 1 6 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.421 -0.117 18901 3592 1 6 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.482 -1.823 18901 3593 1 6 . 1 1 103 103 ASN H H 103 7.816 7.816 7.730 0.086 18901 3594 1 6 . 1 1 104 104 GLU N N 104 115.270 115.270 117.890 -2.620 18901 3595 1 6 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.996 -0.143 18901 3596 1 6 . 1 1 104 104 GLU C C 104 177.716 177.716 177.736 -0.020 18901 3597 1 6 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.535 1.369 18901 3598 1 6 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.378 -0.214 18901 3599 1 6 . 1 1 104 104 GLU H H 104 9.416 9.416 8.232 1.184 18901 3600 1 6 . 1 1 105 105 LYS N N 105 116.576 116.576 119.897 -3.321 18901 3601 1 6 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.203 0.059 18901 3602 1 6 . 1 1 105 105 LYS C C 105 177.667 177.667 176.721 0.946 18901 3603 1 6 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.559 0.496 18901 3604 1 6 . 1 1 105 105 LYS CB C 105 33.051 33.051 33.467 -0.416 18901 3605 1 6 . 1 1 105 105 LYS H H 105 7.737 7.737 7.984 -0.247 18901 3606 1 6 . 1 1 106 106 GLY N N 106 104.067 104.067 105.309 -1.242 18901 3607 1 6 . 1 1 106 106 GLY C C 106 172.796 172.796 172.541 0.255 18901 3608 1 6 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.336 1.580 18901 3609 1 6 . 1 1 106 106 GLY H H 106 7.906 7.906 7.678 0.228 18901 3610 1 6 . 1 1 107 107 TYR N N 107 117.296 117.296 119.860 -2.564 18901 3611 1 6 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.430 0.319 18901 3612 1 6 . 1 1 107 107 TYR C C 107 178.772 178.772 176.480 2.292 18901 3613 1 6 . 1 1 107 107 TYR CA C 107 59.800 59.800 59.117 0.683 18901 3614 1 6 . 1 1 107 107 TYR CB C 107 40.566 40.566 37.829 2.737 18901 3615 1 6 . 1 1 107 107 TYR H H 107 8.378 8.378 8.230 0.148 18901 3616 1 6 . 1 1 108 108 GLY N N 108 107.379 107.379 112.777 -5.398 18901 3617 1 6 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.156 -0.894 18901 3618 1 6 . 1 1 108 108 GLY H H 108 8.651 8.651 8.762 -0.111 18901 3619 1 6 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.878 -0.933 18901 3620 1 6 . 1 1 110 110 ALA HA H 110 4.871 4.871 5.026 -0.155 18901 3621 1 6 . 1 1 110 110 ALA C C 110 179.404 179.404 176.590 2.814 18901 3622 1 6 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.881 -0.613 18901 3623 1 6 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.483 -1.368 18901 3624 1 6 . 1 1 111 111 THR N N 111 118.432 118.432 120.147 -1.715 18901 3625 1 6 . 1 1 111 111 THR HA H 111 4.396 4.396 4.117 0.279 18901 3626 1 6 . 1 1 111 111 THR C C 111 173.449 173.449 174.325 -0.876 18901 3627 1 6 . 1 1 111 111 THR CA C 111 61.721 61.721 63.454 -1.733 18901 3628 1 6 . 1 1 111 111 THR CB C 111 69.967 69.967 69.427 0.540 18901 3629 1 6 . 1 1 111 111 THR H H 111 8.810 8.810 8.264 0.546 18901 3630 1 6 . 1 1 112 112 GLN N N 112 127.590 127.590 128.867 -1.277 18901 3631 1 6 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.519 0.818 18901 3632 1 6 . 1 1 112 112 GLN C C 112 175.442 175.442 175.243 0.199 18901 3633 1 6 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.770 0.033 18901 3634 1 6 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.689 3.064 18901 3635 1 6 . 1 1 112 112 GLN H H 112 8.698 8.698 8.671 0.027 18901 3636 1 6 . 1 1 113 113 VAL N N 113 123.646 123.646 120.421 3.225 18901 3637 1 6 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.326 0.248 18901 3638 1 6 . 1 1 113 113 VAL C C 113 173.891 173.891 174.076 -0.185 18901 3639 1 6 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.697 -0.413 18901 3640 1 6 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.306 2.759 18901 3641 1 6 . 1 1 113 113 VAL H H 113 9.101 9.101 8.067 1.034 18901 3642 1 6 . 1 1 114 114 ARG N N 114 122.944 122.944 118.312 4.632 18901 3643 1 6 . 1 1 114 114 ARG HA H 114 4.933 4.933 4.809 0.124 18901 3644 1 6 . 1 1 114 114 ARG C C 114 175.683 175.683 175.343 0.340 18901 3645 1 6 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.300 0.449 18901 3646 1 6 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.973 0.080 18901 3647 1 6 . 1 1 114 114 ARG H H 114 8.434 8.434 8.195 0.239 18901 3648 1 6 . 1 1 115 115 TRP N N 115 126.067 126.067 128.668 -2.601 18901 3649 1 6 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.900 0.357 18901 3650 1 6 . 1 1 115 115 TRP CA C 115 54.521 54.521 54.969 -0.448 18901 3651 1 6 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.433 1.615 18901 3652 1 6 . 1 1 115 115 TRP H H 115 9.944 9.944 8.951 0.993 18901 3653 1 6 . 1 1 116 116 LEU N N 116 130.031 130.031 125.441 4.590 18901 3654 1 6 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.083 0.180 18901 3655 1 6 . 1 1 116 116 LEU CA C 116 55.697 55.697 56.224 -0.527 18901 3656 1 6 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.834 -0.107 18901 3657 1 6 . 1 1 116 116 LEU H H 116 8.722 8.722 8.133 0.589 18901 3658 1 6 . 1 1 117 117 GLN N N 117 124.737 124.737 117.485 7.252 18901 3659 1 6 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.314 -0.266 18901 3660 1 6 . 1 1 117 117 GLN CA C 117 57.436 57.436 54.190 3.246 18901 3661 1 6 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.891 2.777 18901 3662 1 6 . 1 1 117 117 GLN H H 117 7.453 7.453 7.674 -0.221 18901 3663 1 6 . 1 1 118 118 GLU N N 118 118.531 118.531 121.432 -2.901 18901 3664 1 6 . 1 1 118 118 GLU HA H 118 3.395 3.395 2.875 0.520 18901 3665 1 6 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.459 -1.777 18901 3666 1 6 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.628 0.744 18901 3667 1 6 . 1 1 118 118 GLU H H 118 7.891 7.891 7.384 0.507 18901 3668 1 6 . 1 1 119 119 THR N N 119 121.831 121.831 117.187 4.644 18901 3669 1 6 . 1 1 119 119 THR HA H 119 4.267 4.267 4.445 -0.178 18901 3670 1 6 . 1 1 119 119 THR CA C 119 55.604 55.604 60.923 -5.319 18901 3671 1 6 . 1 1 119 119 THR CB C 119 69.285 69.285 70.665 -1.379 18901 3672 1 6 . 1 1 119 119 THR H H 119 7.892 7.892 7.803 0.089 18901 3673 1 7 . 1 1 6 6 PHE N N 6 117.872 117.872 120.282 -2.410 18901 3674 1 7 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.868 -0.078 18901 3675 1 7 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.606 2.420 18901 3676 1 7 . 1 1 6 6 PHE CB C 6 38.260 38.260 38.747 -0.487 18901 3677 1 7 . 1 1 6 6 PHE H H 6 7.818 7.818 8.512 -0.694 18901 3678 1 7 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.454 -58.268 18901 3679 1 7 . 1 1 8 8 GLY N N 8 101.657 101.657 108.470 -6.813 18901 3680 1 7 . 1 1 8 8 GLY CA C 8 44.176 44.176 45.169 -0.993 18901 3681 1 7 . 1 1 8 8 GLY H H 8 7.927 7.927 8.057 -0.130 18901 3682 1 7 . 1 1 9 9 ALA N N 9 120.767 120.767 121.263 -0.496 18901 3683 1 7 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.816 0.049 18901 3684 1 7 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.534 -0.336 18901 3685 1 7 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.460 -1.523 18901 3686 1 7 . 1 1 9 9 ALA H H 9 8.235 8.235 8.187 0.048 18901 3687 1 7 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.914 -0.557 18901 3688 1 7 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.648 0.664 18901 3689 1 7 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.467 0.344 18901 3690 1 7 . 1 1 11 11 CYS N N 11 114.905 114.905 117.837 -2.932 18901 3691 1 7 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.662 0.276 18901 3692 1 7 . 1 1 11 11 CYS C C 11 172.706 172.706 174.791 -2.085 18901 3693 1 7 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.472 -0.634 18901 3694 1 7 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.490 0.649 18901 3695 1 7 . 1 1 11 11 CYS H H 11 8.084 8.084 8.450 -0.366 18901 3696 1 7 . 1 1 12 12 ALA N N 12 120.844 120.844 121.744 -0.900 18901 3697 1 7 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.016 -0.089 18901 3698 1 7 . 1 1 12 12 ALA C C 12 176.005 176.005 176.501 -0.496 18901 3699 1 7 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.002 -0.238 18901 3700 1 7 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.392 0.204 18901 3701 1 7 . 1 1 12 12 ALA H H 12 8.535 8.535 8.682 -0.147 18901 3702 1 7 . 1 1 13 13 ILE N N 13 116.800 116.800 118.169 -1.369 18901 3703 1 7 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.365 0.088 18901 3704 1 7 . 1 1 13 13 ILE C C 13 177.506 177.506 176.577 0.929 18901 3705 1 7 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.210 0.125 18901 3706 1 7 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.089 -0.221 18901 3707 1 7 . 1 1 13 13 ILE H H 13 7.802 7.802 7.740 0.062 18901 3708 1 7 . 1 1 14 14 LYS N N 14 129.030 129.030 128.631 0.399 18901 3709 1 7 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.705 -0.108 18901 3710 1 7 . 1 1 14 14 LYS C C 14 175.508 175.508 174.584 0.924 18901 3711 1 7 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.326 1.226 18901 3712 1 7 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.407 -0.119 18901 3713 1 7 . 1 1 14 14 LYS H H 14 9.249 9.249 8.351 0.898 18901 3714 1 7 . 1 1 15 15 ILE N N 15 121.333 121.333 122.670 -1.337 18901 3715 1 7 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.797 -0.213 18901 3716 1 7 . 1 1 15 15 ILE C C 15 175.983 175.983 174.984 0.999 18901 3717 1 7 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.324 0.484 18901 3718 1 7 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.967 -0.347 18901 3719 1 7 . 1 1 15 15 ILE H H 15 8.231 8.231 8.473 -0.242 18901 3720 1 7 . 1 1 16 16 SER N N 16 120.251 120.251 120.810 -0.559 18901 3721 1 7 . 1 1 16 16 SER HA H 16 4.933 4.933 4.868 0.065 18901 3722 1 7 . 1 1 16 16 SER C C 16 173.725 173.725 172.448 1.277 18901 3723 1 7 . 1 1 16 16 SER CA C 16 56.656 56.656 57.429 -0.774 18901 3724 1 7 . 1 1 16 16 SER CB C 16 65.750 65.750 66.513 -0.763 18901 3725 1 7 . 1 1 16 16 SER H H 16 8.694 8.694 8.621 0.073 18901 3726 1 7 . 1 1 17 17 LYS N N 17 124.155 124.155 124.355 -0.200 18901 3727 1 7 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.394 0.266 18901 3728 1 7 . 1 1 17 17 LYS C C 17 175.815 175.815 175.454 0.361 18901 3729 1 7 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.657 0.618 18901 3730 1 7 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.678 0.888 18901 3731 1 7 . 1 1 17 17 LYS H H 17 8.985 8.985 8.751 0.234 18901 3732 1 7 . 1 1 18 18 SER N N 18 121.663 121.663 119.019 2.644 18901 3733 1 7 . 1 1 18 18 SER HA H 18 5.076 5.076 4.984 0.092 18901 3734 1 7 . 1 1 18 18 SER CA C 18 56.676 56.676 55.824 0.852 18901 3735 1 7 . 1 1 18 18 SER CB C 18 64.993 64.993 64.074 0.919 18901 3736 1 7 . 1 1 18 18 SER H H 18 8.555 8.555 8.160 0.395 18901 3737 1 7 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.432 -0.098 18901 3738 1 7 . 1 1 19 19 PRO C C 19 177.406 177.406 177.602 -0.196 18901 3739 1 7 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.793 0.696 18901 3740 1 7 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.183 -0.118 18901 3741 1 7 . 1 1 20 20 ASP N N 20 110.573 110.573 117.279 -6.706 18901 3742 1 7 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.657 0.022 18901 3743 1 7 . 1 1 20 20 ASP C C 20 176.667 176.667 176.609 0.058 18901 3744 1 7 . 1 1 20 20 ASP CA C 20 53.558 53.558 55.309 -1.752 18901 3745 1 7 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.889 -0.466 18901 3746 1 7 . 1 1 20 20 ASP H H 20 8.019 8.019 8.526 -0.507 18901 3747 1 7 . 1 1 21 21 GLY N N 21 107.592 107.592 106.085 1.507 18901 3748 1 7 . 1 1 21 21 GLY C C 21 172.365 172.365 172.158 0.207 18901 3749 1 7 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.814 0.916 18901 3750 1 7 . 1 1 21 21 GLY H H 21 7.623 7.623 7.318 0.305 18901 3751 1 7 . 1 1 22 22 ALA N N 22 123.764 123.764 122.553 1.211 18901 3752 1 7 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.172 -0.385 18901 3753 1 7 . 1 1 22 22 ALA C C 22 175.801 175.801 176.186 -0.385 18901 3754 1 7 . 1 1 22 22 ALA CA C 22 50.779 50.779 49.865 0.914 18901 3755 1 7 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.762 -0.628 18901 3756 1 7 . 1 1 22 22 ALA H H 22 8.704 8.704 8.447 0.257 18901 3757 1 7 . 1 1 23 23 HIS N N 23 120.666 120.666 120.294 0.372 18901 3758 1 7 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.559 0.422 18901 3759 1 7 . 1 1 23 23 HIS C C 23 174.199 174.199 173.802 0.397 18901 3760 1 7 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.927 -2.660 18901 3761 1 7 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.105 -1.116 18901 3762 1 7 . 1 1 23 23 HIS H H 23 9.088 9.088 8.434 0.654 18901 3763 1 7 . 1 1 24 24 LEU N N 24 127.467 127.467 125.274 2.193 18901 3764 1 7 . 1 1 24 24 LEU HA H 24 5.180 5.180 5.117 0.063 18901 3765 1 7 . 1 1 24 24 LEU C C 24 176.430 176.430 175.821 0.609 18901 3766 1 7 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.878 1.650 18901 3767 1 7 . 1 1 24 24 LEU CB C 24 44.957 44.957 45.723 -0.766 18901 3768 1 7 . 1 1 24 24 LEU H H 24 8.702 8.702 8.288 0.414 18901 3769 1 7 . 1 1 25 25 THR N N 25 111.459 111.459 112.806 -1.347 18901 3770 1 7 . 1 1 25 25 THR HA H 25 4.186 4.186 4.110 0.076 18901 3771 1 7 . 1 1 25 25 THR C C 25 172.720 172.720 172.867 -0.147 18901 3772 1 7 . 1 1 25 25 THR CA C 25 60.798 60.798 60.282 0.516 18901 3773 1 7 . 1 1 25 25 THR CB C 25 72.021 72.021 71.556 0.465 18901 3774 1 7 . 1 1 25 25 THR H H 25 8.643 8.643 8.406 0.237 18901 3775 1 7 . 1 1 26 26 TRP N N 26 117.073 117.073 117.671 -0.598 18901 3776 1 7 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.406 -0.373 18901 3777 1 7 . 1 1 26 26 TRP C C 26 173.425 173.425 173.593 -0.168 18901 3778 1 7 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.355 0.332 18901 3779 1 7 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.325 -1.168 18901 3780 1 7 . 1 1 26 26 TRP H H 26 7.301 7.301 7.391 -0.090 18901 3781 1 7 . 1 1 27 27 GLU N N 27 115.563 115.563 118.673 -3.110 18901 3782 1 7 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.913 -0.091 18901 3783 1 7 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.251 -0.362 18901 3784 1 7 . 1 1 27 27 GLU CB C 27 30.830 30.830 32.035 -1.205 18901 3785 1 7 . 1 1 27 27 GLU H H 27 8.753 8.753 8.736 0.017 18901 3786 1 7 . 1 1 28 28 PRO HA H 28 4.339 4.339 5.073 -0.734 18901 3787 1 7 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.563 3.984 18901 3788 1 7 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.074 1.067 18901 3789 1 7 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.493 -0.208 18901 3790 1 7 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.895 -0.915 18901 3791 1 7 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.567 0.317 18901 3792 1 7 . 1 1 30 30 SER N N 30 110.838 110.838 113.728 -2.890 18901 3793 1 7 . 1 1 30 30 SER HA H 30 3.910 3.910 4.528 -0.618 18901 3794 1 7 . 1 1 30 30 SER CA C 30 56.967 56.967 58.237 -1.270 18901 3795 1 7 . 1 1 30 30 SER CB C 30 64.771 64.771 63.319 1.452 18901 3796 1 7 . 1 1 30 30 SER H H 30 8.317 8.317 8.409 -0.092 18901 3797 1 7 . 1 1 31 31 VAL N N 31 114.209 114.209 119.790 -5.581 18901 3798 1 7 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.148 0.060 18901 3799 1 7 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.588 -0.808 18901 3800 1 7 . 1 1 31 31 VAL CB C 31 32.771 32.771 33.472 -0.701 18901 3801 1 7 . 1 1 31 31 VAL H H 31 8.320 8.320 7.659 0.661 18901 3802 1 7 . 1 1 32 32 THR N N 32 119.600 119.600 113.638 5.962 18901 3803 1 7 . 1 1 32 32 THR HA H 32 4.179 4.179 4.602 -0.423 18901 3804 1 7 . 1 1 32 32 THR CA C 32 60.465 60.465 60.862 -0.397 18901 3805 1 7 . 1 1 32 32 THR CB C 32 63.211 63.211 69.477 -6.266 18901 3806 1 7 . 1 1 32 32 THR H H 32 7.828 7.828 7.886 -0.058 18901 3807 1 7 . 1 1 33 33 SER N N 33 115.967 115.967 124.142 -8.175 18901 3808 1 7 . 1 1 33 33 SER HA H 33 4.179 4.179 4.268 -0.089 18901 3809 1 7 . 1 1 33 33 SER C C 33 174.332 174.332 174.984 -0.652 18901 3810 1 7 . 1 1 33 33 SER CA C 33 60.428 60.428 60.204 0.224 18901 3811 1 7 . 1 1 33 33 SER CB C 33 62.209 62.209 63.486 -1.277 18901 3812 1 7 . 1 1 33 33 SER H H 33 8.292 8.292 8.682 -0.390 18901 3813 1 7 . 1 1 34 34 GLY N N 34 106.879 106.879 106.177 0.702 18901 3814 1 7 . 1 1 34 34 GLY C C 34 173.709 173.709 173.239 0.470 18901 3815 1 7 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.825 -0.454 18901 3816 1 7 . 1 1 34 34 GLY H H 34 7.848 7.848 8.198 -0.350 18901 3817 1 7 . 1 1 35 35 LYS N N 35 122.205 122.205 116.949 5.256 18901 3818 1 7 . 1 1 35 35 LYS HA H 35 4.310 4.310 3.973 0.337 18901 3819 1 7 . 1 1 35 35 LYS C C 35 176.262 176.262 175.486 0.776 18901 3820 1 7 . 1 1 35 35 LYS CA C 35 55.671 55.671 56.181 -0.509 18901 3821 1 7 . 1 1 35 35 LYS CB C 35 34.247 34.247 31.915 2.333 18901 3822 1 7 . 1 1 35 35 LYS H H 35 8.628 8.628 7.990 0.638 18901 3823 1 7 . 1 1 36 36 ILE N N 36 120.178 120.178 122.215 -2.037 18901 3824 1 7 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.917 0.204 18901 3825 1 7 . 1 1 36 36 ILE C C 36 177.751 177.751 177.472 0.279 18901 3826 1 7 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.956 -4.035 18901 3827 1 7 . 1 1 36 36 ILE CB C 36 35.312 35.312 37.975 -2.663 18901 3828 1 7 . 1 1 36 36 ILE H H 36 8.344 8.344 8.407 -0.063 18901 3829 1 7 . 1 1 37 37 ILE N N 37 122.285 122.285 122.183 0.102 18901 3830 1 7 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.500 -0.283 18901 3831 1 7 . 1 1 37 37 ILE C C 37 176.085 176.085 175.875 0.210 18901 3832 1 7 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.224 -0.282 18901 3833 1 7 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.186 -0.387 18901 3834 1 7 . 1 1 37 37 ILE H H 37 8.460 8.460 9.020 -0.560 18901 3835 1 7 . 1 1 38 38 GLU N N 38 116.489 116.489 118.323 -1.834 18901 3836 1 7 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.650 -0.481 18901 3837 1 7 . 1 1 38 38 GLU C C 38 171.864 171.864 174.068 -2.204 18901 3838 1 7 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.287 0.689 18901 3839 1 7 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.734 1.746 18901 3840 1 7 . 1 1 38 38 GLU H H 38 7.143 7.143 7.736 -0.593 18901 3841 1 7 . 1 1 39 39 TYR N N 39 118.418 118.418 117.299 1.119 18901 3842 1 7 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.034 0.661 18901 3843 1 7 . 1 1 39 39 TYR C C 39 176.190 176.190 174.394 1.796 18901 3844 1 7 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.202 -0.291 18901 3845 1 7 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.256 0.480 18901 3846 1 7 . 1 1 39 39 TYR H H 39 8.860 8.860 8.351 0.509 18901 3847 1 7 . 1 1 40 40 SER N N 40 111.613 111.613 113.420 -1.807 18901 3848 1 7 . 1 1 40 40 SER HA H 40 5.497 5.497 4.050 1.447 18901 3849 1 7 . 1 1 40 40 SER C C 40 172.888 172.888 172.237 0.651 18901 3850 1 7 . 1 1 40 40 SER CA C 40 58.729 58.729 56.613 2.116 18901 3851 1 7 . 1 1 40 40 SER CB C 40 69.596 69.596 65.763 3.833 18901 3852 1 7 . 1 1 40 40 SER H H 40 8.705 8.705 8.456 0.249 18901 3853 1 7 . 1 1 41 41 VAL N N 41 119.202 119.202 119.103 0.099 18901 3854 1 7 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.610 0.226 18901 3855 1 7 . 1 1 41 41 VAL C C 41 175.106 175.106 174.140 0.966 18901 3856 1 7 . 1 1 41 41 VAL CA C 41 60.666 60.666 62.128 -1.462 18901 3857 1 7 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.897 -0.206 18901 3858 1 7 . 1 1 41 41 VAL H H 41 8.428 8.428 8.177 0.251 18901 3859 1 7 . 1 1 42 42 TYR N N 42 124.792 124.792 125.435 -0.643 18901 3860 1 7 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.361 0.135 18901 3861 1 7 . 1 1 42 42 TYR C C 42 174.659 174.659 174.071 0.588 18901 3862 1 7 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.395 -0.635 18901 3863 1 7 . 1 1 42 42 TYR CB C 42 42.396 42.396 42.427 -0.031 18901 3864 1 7 . 1 1 42 42 TYR H H 42 9.773 9.773 9.130 0.643 18901 3865 1 7 . 1 1 43 43 LEU N N 43 123.210 123.210 124.764 -1.554 18901 3866 1 7 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.796 0.457 18901 3867 1 7 . 1 1 43 43 LEU C C 43 176.296 176.296 174.832 1.464 18901 3868 1 7 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.604 0.742 18901 3869 1 7 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.317 2.232 18901 3870 1 7 . 1 1 43 43 LEU H H 43 9.368 9.368 8.940 0.428 18901 3871 1 7 . 1 1 44 44 ALA N N 44 127.556 127.556 129.220 -1.664 18901 3872 1 7 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.522 -0.198 18901 3873 1 7 . 1 1 44 44 ALA C C 44 178.318 178.318 176.454 1.864 18901 3874 1 7 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.392 -0.648 18901 3875 1 7 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.563 -0.914 18901 3876 1 7 . 1 1 44 44 ALA H H 44 8.366 8.366 7.822 0.544 18901 3877 1 7 . 1 1 45 45 ILE N N 45 119.672 119.672 117.068 2.604 18901 3878 1 7 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.982 -0.239 18901 3879 1 7 . 1 1 45 45 ILE C C 45 175.937 175.937 175.163 0.774 18901 3880 1 7 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.033 2.087 18901 3881 1 7 . 1 1 45 45 ILE CB C 45 41.789 41.789 40.823 0.966 18901 3882 1 7 . 1 1 45 45 ILE H H 45 8.599 8.599 8.576 0.023 18901 3883 1 7 . 1 1 46 46 GLN N N 46 120.248 120.248 121.161 -0.913 18901 3884 1 7 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.277 0.130 18901 3885 1 7 . 1 1 46 46 GLN C C 46 176.355 176.355 175.984 0.371 18901 3886 1 7 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.414 -1.600 18901 3887 1 7 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.468 1.372 18901 3888 1 7 . 1 1 46 46 GLN H H 46 8.207 8.207 8.019 0.188 18901 3889 1 7 . 1 1 47 47 SER N N 47 117.541 117.541 117.274 0.267 18901 3890 1 7 . 1 1 47 47 SER HA H 47 4.445 4.445 4.302 0.143 18901 3891 1 7 . 1 1 47 47 SER C C 47 175.100 175.100 172.937 2.163 18901 3892 1 7 . 1 1 47 47 SER CA C 47 57.957 57.957 58.702 -0.745 18901 3893 1 7 . 1 1 47 47 SER CB C 47 64.188 64.188 63.470 0.718 18901 3894 1 7 . 1 1 47 47 SER H H 47 8.316 8.316 8.301 0.015 18901 3895 1 7 . 1 1 48 48 SER N N 48 116.421 116.421 115.095 1.326 18901 3896 1 7 . 1 1 48 48 SER HA H 48 4.446 4.446 4.634 -0.188 18901 3897 1 7 . 1 1 48 48 SER CA C 48 58.395 58.395 57.903 0.492 18901 3898 1 7 . 1 1 48 48 SER CB C 48 63.932 63.932 64.757 -0.825 18901 3899 1 7 . 1 1 48 48 SER H H 48 8.096 8.096 8.440 -0.344 18901 3900 1 7 . 1 1 49 49 GLN N N 49 120.755 120.755 122.562 -1.807 18901 3901 1 7 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.563 -0.252 18901 3902 1 7 . 1 1 49 49 GLN C C 49 176.420 176.420 174.075 2.345 18901 3903 1 7 . 1 1 49 49 GLN CA C 49 55.842 55.842 56.329 -0.487 18901 3904 1 7 . 1 1 49 49 GLN CB C 49 29.751 29.751 29.705 0.046 18901 3905 1 7 . 1 1 49 49 GLN H H 49 8.308 8.308 8.567 -0.259 18901 3906 1 7 . 1 1 50 50 ALA N N 50 124.199 124.199 124.189 0.010 18901 3907 1 7 . 1 1 50 50 ALA HA H 50 4.312 4.312 5.045 -0.733 18901 3908 1 7 . 1 1 50 50 ALA C C 50 178.375 178.375 175.655 2.720 18901 3909 1 7 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.678 0.942 18901 3910 1 7 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.614 -2.161 18901 3911 1 7 . 1 1 50 50 ALA H H 50 8.219 8.219 8.158 0.061 18901 3912 1 7 . 1 1 51 51 SER N N 51 113.652 113.652 115.726 -2.074 18901 3913 1 7 . 1 1 51 51 SER HA H 51 4.307 4.307 4.477 -0.170 18901 3914 1 7 . 1 1 51 51 SER C C 51 175.739 175.739 172.795 2.944 18901 3915 1 7 . 1 1 51 51 SER CA C 51 52.695 52.695 58.620 -5.925 18901 3916 1 7 . 1 1 51 51 SER CB C 51 62.104 62.104 64.594 -2.490 18901 3917 1 7 . 1 1 51 51 SER H H 51 8.148 8.148 8.392 -0.244 18901 3918 1 7 . 1 1 52 52 GLY N N 52 109.442 109.442 112.993 -3.551 18901 3919 1 7 . 1 1 52 52 GLY C C 52 174.511 174.511 172.431 2.080 18901 3920 1 7 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.729 -0.331 18901 3921 1 7 . 1 1 52 52 GLY H H 52 8.267 8.267 8.473 -0.206 18901 3922 1 7 . 1 1 53 53 GLU N N 53 120.137 120.137 123.566 -3.429 18901 3923 1 7 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.697 -0.144 18901 3924 1 7 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.899 0.156 18901 3925 1 7 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.366 -0.521 18901 3926 1 7 . 1 1 53 53 GLU H H 53 7.951 7.951 8.172 -0.221 18901 3927 1 7 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.513 -0.148 18901 3928 1 7 . 1 1 54 54 PRO C C 54 177.830 177.830 176.829 1.001 18901 3929 1 7 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.749 0.961 18901 3930 1 7 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.541 0.171 18901 3931 1 7 . 1 1 55 55 LYS N N 55 119.406 119.406 120.867 -1.461 18901 3932 1 7 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.259 0.006 18901 3933 1 7 . 1 1 55 55 LYS C C 55 177.347 177.347 176.513 0.834 18901 3934 1 7 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.950 -0.253 18901 3935 1 7 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.202 1.044 18901 3936 1 7 . 1 1 55 55 LYS H H 55 8.315 8.315 8.470 -0.155 18901 3937 1 7 . 1 1 56 56 SER N N 56 114.624 114.624 114.777 -0.153 18901 3938 1 7 . 1 1 56 56 SER HA H 56 4.564 4.564 4.359 0.205 18901 3939 1 7 . 1 1 56 56 SER C C 56 175.285 175.285 174.160 1.125 18901 3940 1 7 . 1 1 56 56 SER CA C 56 60.090 60.090 58.926 1.163 18901 3941 1 7 . 1 1 56 56 SER CB C 56 63.305 63.305 63.474 -0.169 18901 3942 1 7 . 1 1 56 56 SER H H 56 8.090 8.090 7.958 0.132 18901 3943 1 7 . 1 1 57 57 SER N N 57 116.016 116.016 115.375 0.641 18901 3944 1 7 . 1 1 57 57 SER HA H 57 4.455 4.455 4.146 0.309 18901 3945 1 7 . 1 1 57 57 SER C C 57 174.988 174.988 173.457 1.531 18901 3946 1 7 . 1 1 57 57 SER CA C 57 58.332 58.332 59.352 -1.020 18901 3947 1 7 . 1 1 57 57 SER CB C 57 63.876 63.876 61.900 1.976 18901 3948 1 7 . 1 1 57 57 SER H H 57 8.224 8.224 8.187 0.037 18901 3949 1 7 . 1 1 58 58 THR N N 58 116.090 116.090 117.754 -1.664 18901 3950 1 7 . 1 1 58 58 THR HA H 58 4.602 4.602 4.698 -0.096 18901 3951 1 7 . 1 1 58 58 THR CA C 58 59.935 59.935 58.738 1.197 18901 3952 1 7 . 1 1 58 58 THR CB C 58 69.773 69.773 70.053 -0.280 18901 3953 1 7 . 1 1 58 58 THR H H 58 7.939 7.939 7.872 0.067 18901 3954 1 7 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.507 -0.226 18901 3955 1 7 . 1 1 59 59 PRO C C 59 177.272 177.272 175.562 1.710 18901 3956 1 7 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.964 -0.888 18901 3957 1 7 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.124 2.654 18901 3958 1 7 . 1 1 60 60 ALA N N 60 122.319 122.319 127.824 -5.505 18901 3959 1 7 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.361 -0.142 18901 3960 1 7 . 1 1 60 60 ALA C C 60 178.277 178.277 176.084 2.193 18901 3961 1 7 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.011 0.489 18901 3962 1 7 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.342 -0.883 18901 3963 1 7 . 1 1 60 60 ALA H H 60 8.156 8.156 7.815 0.341 18901 3964 1 7 . 1 1 61 61 GLN N N 61 117.680 117.680 122.825 -5.145 18901 3965 1 7 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.364 -0.086 18901 3966 1 7 . 1 1 61 61 GLN C C 61 176.148 176.148 175.512 0.636 18901 3967 1 7 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.160 0.365 18901 3968 1 7 . 1 1 61 61 GLN CB C 61 30.044 30.044 28.558 1.486 18901 3969 1 7 . 1 1 61 61 GLN H H 61 8.016 8.016 8.375 -0.359 18901 3970 1 7 . 1 1 62 62 LEU N N 62 121.805 121.805 122.713 -0.908 18901 3971 1 7 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.407 -0.278 18901 3972 1 7 . 1 1 62 62 LEU C C 62 176.202 176.202 175.400 0.802 18901 3973 1 7 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.288 1.286 18901 3974 1 7 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.316 -0.026 18901 3975 1 7 . 1 1 62 62 LEU H H 62 7.968 7.968 7.946 0.022 18901 3976 1 7 . 1 1 63 63 ALA N N 63 124.947 124.947 123.733 1.214 18901 3977 1 7 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.410 0.086 18901 3978 1 7 . 1 1 63 63 ALA C C 63 176.252 176.252 175.863 0.389 18901 3979 1 7 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.435 -0.637 18901 3980 1 7 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.238 0.408 18901 3981 1 7 . 1 1 63 63 ALA H H 63 8.434 8.434 7.782 0.652 18901 3982 1 7 . 1 1 64 64 PHE N N 64 117.099 117.099 121.053 -3.954 18901 3983 1 7 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.717 0.367 18901 3984 1 7 . 1 1 64 64 PHE C C 64 176.403 176.403 174.962 1.441 18901 3985 1 7 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.265 2.468 18901 3986 1 7 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.534 0.276 18901 3987 1 7 . 1 1 64 64 PHE H H 64 8.446 8.446 8.284 0.162 18901 3988 1 7 . 1 1 65 65 MET N N 65 120.470 120.470 122.455 -1.985 18901 3989 1 7 . 1 1 65 65 MET HA H 65 4.902 4.902 4.579 0.323 18901 3990 1 7 . 1 1 65 65 MET CA C 65 53.984 53.984 55.521 -1.537 18901 3991 1 7 . 1 1 65 65 MET CB C 65 36.825 36.825 33.965 2.860 18901 3992 1 7 . 1 1 65 65 MET H H 65 9.050 9.050 9.027 0.023 18901 3993 1 7 . 1 1 66 66 ARG N N 66 120.685 120.685 129.829 -9.144 18901 3994 1 7 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.433 -0.290 18901 3995 1 7 . 1 1 66 66 ARG C C 66 176.916 176.916 175.998 0.918 18901 3996 1 7 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.405 1.557 18901 3997 1 7 . 1 1 66 66 ARG CB C 66 31.072 31.072 29.008 2.064 18901 3998 1 7 . 1 1 66 66 ARG H H 66 7.540 7.540 9.031 -1.491 18901 3999 1 7 . 1 1 67 67 VAL N N 67 117.677 117.677 121.442 -3.765 18901 4000 1 7 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.993 0.721 18901 4001 1 7 . 1 1 67 67 VAL C C 67 175.777 175.777 176.210 -0.433 18901 4002 1 7 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.225 -2.306 18901 4003 1 7 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.508 1.906 18901 4004 1 7 . 1 1 67 67 VAL H H 67 8.859 8.859 8.191 0.668 18901 4005 1 7 . 1 1 68 68 TYR N N 68 120.707 120.707 124.541 -3.834 18901 4006 1 7 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.242 0.535 18901 4007 1 7 . 1 1 68 68 TYR C C 68 173.712 173.712 174.065 -0.353 18901 4008 1 7 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.615 -1.310 18901 4009 1 7 . 1 1 68 68 TYR CB C 68 43.056 43.056 36.636 6.420 18901 4010 1 7 . 1 1 68 68 TYR H H 68 7.539 7.539 7.515 0.024 18901 4011 1 7 . 1 1 69 69 CYS N N 69 127.927 127.927 126.757 1.170 18901 4012 1 7 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.258 0.811 18901 4013 1 7 . 1 1 69 69 CYS C C 69 174.094 174.094 172.745 1.349 18901 4014 1 7 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.197 -1.007 18901 4015 1 7 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.085 -1.095 18901 4016 1 7 . 1 1 69 69 CYS H H 69 7.601 7.601 7.741 -0.140 18901 4017 1 7 . 1 1 70 70 GLY N N 70 114.822 114.822 112.426 2.396 18901 4018 1 7 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.989 1.157 18901 4019 1 7 . 1 1 70 70 GLY H H 70 8.336 8.336 7.404 0.932 18901 4020 1 7 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.588 -0.040 18901 4021 1 7 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.462 0.202 18901 4022 1 7 . 1 1 72 72 SER N N 72 112.451 112.451 114.376 -1.925 18901 4023 1 7 . 1 1 72 72 SER HA H 72 4.850 4.850 4.977 -0.127 18901 4024 1 7 . 1 1 72 72 SER CA C 72 56.874 56.874 56.547 0.327 18901 4025 1 7 . 1 1 72 72 SER CB C 72 63.248 63.248 64.765 -1.517 18901 4026 1 7 . 1 1 72 72 SER H H 72 7.327 7.327 8.120 -0.793 18901 4027 1 7 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.667 -0.474 18901 4028 1 7 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.163 0.392 18901 4029 1 7 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.147 0.089 18901 4030 1 7 . 1 1 74 74 SER N N 74 111.450 111.450 111.482 -0.032 18901 4031 1 7 . 1 1 74 74 SER HA H 74 3.907 3.907 2.682 1.225 18901 4032 1 7 . 1 1 74 74 SER CA C 74 56.710 56.710 57.962 -1.252 18901 4033 1 7 . 1 1 74 74 SER CB C 74 64.647 64.647 61.908 2.739 18901 4034 1 7 . 1 1 74 74 SER H H 74 6.909 6.909 8.288 -1.379 18901 4035 1 7 . 1 1 75 75 CYS N N 75 124.103 124.103 119.001 5.102 18901 4036 1 7 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.335 -0.776 18901 4037 1 7 . 1 1 75 75 CYS C C 75 171.568 171.568 175.461 -3.893 18901 4038 1 7 . 1 1 75 75 CYS CA C 75 62.200 62.200 59.255 2.945 18901 4039 1 7 . 1 1 75 75 CYS CB C 75 26.251 26.251 26.876 -0.625 18901 4040 1 7 . 1 1 75 75 CYS H H 75 6.017 6.017 8.195 -2.178 18901 4041 1 7 . 1 1 76 76 LEU N N 76 121.191 121.191 125.595 -4.404 18901 4042 1 7 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.308 0.515 18901 4043 1 7 . 1 1 76 76 LEU C C 76 176.786 176.786 175.000 1.786 18901 4044 1 7 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.867 -1.502 18901 4045 1 7 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.021 2.205 18901 4046 1 7 . 1 1 76 76 LEU H H 76 8.015 8.015 8.458 -0.443 18901 4047 1 7 . 1 1 77 77 VAL N N 77 126.347 126.347 117.728 8.619 18901 4048 1 7 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.372 -0.120 18901 4049 1 7 . 1 1 77 77 VAL C C 77 175.529 175.529 175.216 0.313 18901 4050 1 7 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.725 0.926 18901 4051 1 7 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.484 -2.808 18901 4052 1 7 . 1 1 77 77 VAL H H 77 9.084 9.084 7.659 1.425 18901 4053 1 7 . 1 1 78 78 GLN N N 78 124.566 124.566 124.237 0.329 18901 4054 1 7 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.792 -0.277 18901 4055 1 7 . 1 1 78 78 GLN C C 78 178.805 178.805 177.770 1.035 18901 4056 1 7 . 1 1 78 78 GLN CA C 78 56.916 56.916 55.444 1.472 18901 4057 1 7 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.928 0.470 18901 4058 1 7 . 1 1 78 78 GLN H H 78 8.908 8.908 8.940 -0.032 18901 4059 1 7 . 1 1 79 79 SER N N 79 116.974 116.974 118.071 -1.097 18901 4060 1 7 . 1 1 79 79 SER HA H 79 4.087 4.087 4.173 -0.086 18901 4061 1 7 . 1 1 79 79 SER C C 79 177.179 177.179 176.382 0.797 18901 4062 1 7 . 1 1 79 79 SER CA C 79 62.454 62.454 61.544 0.910 18901 4063 1 7 . 1 1 79 79 SER CB C 79 62.787 62.787 62.944 -0.157 18901 4064 1 7 . 1 1 79 79 SER H H 79 8.458 8.458 8.531 -0.073 18901 4065 1 7 . 1 1 80 80 SER N N 80 114.734 114.734 118.204 -3.470 18901 4066 1 7 . 1 1 80 80 SER HA H 80 4.211 4.211 4.268 -0.057 18901 4067 1 7 . 1 1 80 80 SER C C 80 177.853 177.853 176.785 1.068 18901 4068 1 7 . 1 1 80 80 SER CA C 80 61.190 61.190 60.824 0.366 18901 4069 1 7 . 1 1 80 80 SER CB C 80 62.358 62.358 62.777 -0.419 18901 4070 1 7 . 1 1 80 80 SER H H 80 8.537 8.537 8.592 -0.055 18901 4071 1 7 . 1 1 81 81 SER N N 81 117.137 117.137 119.101 -1.964 18901 4072 1 7 . 1 1 81 81 SER HA H 81 4.455 4.455 4.293 0.163 18901 4073 1 7 . 1 1 81 81 SER C C 81 175.702 175.702 176.442 -0.740 18901 4074 1 7 . 1 1 81 81 SER CA C 81 61.433 61.433 61.391 0.042 18901 4075 1 7 . 1 1 81 81 SER CB C 81 63.130 63.130 62.670 0.460 18901 4076 1 7 . 1 1 81 81 SER H H 81 7.514 7.514 7.674 -0.160 18901 4077 1 7 . 1 1 82 82 LEU N N 82 117.548 117.548 121.000 -3.452 18901 4078 1 7 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.117 -0.084 18901 4079 1 7 . 1 1 82 82 LEU C C 82 179.445 179.445 178.066 1.379 18901 4080 1 7 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.430 -0.728 18901 4081 1 7 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.931 -0.143 18901 4082 1 7 . 1 1 82 82 LEU H H 82 7.629 7.629 7.658 -0.029 18901 4083 1 7 . 1 1 83 83 SER N N 83 113.258 113.258 112.955 0.303 18901 4084 1 7 . 1 1 83 83 SER HA H 83 4.214 4.214 4.288 -0.074 18901 4085 1 7 . 1 1 83 83 SER C C 83 175.256 175.256 175.449 -0.193 18901 4086 1 7 . 1 1 83 83 SER CA C 83 61.192 61.192 60.424 0.768 18901 4087 1 7 . 1 1 83 83 SER CB C 83 63.544 63.544 63.663 -0.118 18901 4088 1 7 . 1 1 83 83 SER H H 83 7.805 7.805 7.922 -0.117 18901 4089 1 7 . 1 1 84 84 ASN N N 84 116.565 116.565 118.440 -1.875 18901 4090 1 7 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.711 0.211 18901 4091 1 7 . 1 1 84 84 ASN C C 84 175.063 175.063 174.726 0.337 18901 4092 1 7 . 1 1 84 84 ASN CA C 84 52.672 52.672 54.245 -1.573 18901 4093 1 7 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.498 0.193 18901 4094 1 7 . 1 1 84 84 ASN H H 84 7.612 7.612 7.711 -0.099 18901 4095 1 7 . 1 1 85 85 ALA N N 85 119.819 119.819 121.431 -1.612 18901 4096 1 7 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.338 -0.089 18901 4097 1 7 . 1 1 85 85 ALA C C 85 178.113 178.113 176.941 1.172 18901 4098 1 7 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.563 0.502 18901 4099 1 7 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.041 0.779 18901 4100 1 7 . 1 1 85 85 ALA H H 85 7.558 7.558 7.358 0.200 18901 4101 1 7 . 1 1 86 86 HIS N N 86 118.388 118.388 124.310 -5.922 18901 4102 1 7 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.399 0.006 18901 4103 1 7 . 1 1 86 86 HIS C C 86 175.333 175.333 174.906 0.427 18901 4104 1 7 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.721 -1.102 18901 4105 1 7 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.647 -1.449 18901 4106 1 7 . 1 1 86 86 HIS H H 86 8.280 8.280 8.363 -0.083 18901 4107 1 7 . 1 1 87 87 ILE N N 87 126.618 126.618 127.602 -0.984 18901 4108 1 7 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.377 -0.322 18901 4109 1 7 . 1 1 87 87 ILE C C 87 174.718 174.718 175.844 -1.126 18901 4110 1 7 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.691 0.736 18901 4111 1 7 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.440 0.002 18901 4112 1 7 . 1 1 87 87 ILE H H 87 7.873 7.873 8.204 -0.331 18901 4113 1 7 . 1 1 88 88 ASP N N 88 124.684 124.684 127.577 -2.893 18901 4114 1 7 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.588 -0.076 18901 4115 1 7 . 1 1 88 88 ASP C C 88 176.506 176.506 175.669 0.837 18901 4116 1 7 . 1 1 88 88 ASP CA C 88 53.237 53.237 55.125 -1.888 18901 4117 1 7 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.491 1.270 18901 4118 1 7 . 1 1 88 88 ASP H H 88 8.572 8.572 8.768 -0.196 18901 4119 1 7 . 1 1 89 89 TYR N N 89 122.959 122.959 124.922 -1.963 18901 4120 1 7 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.792 -0.413 18901 4121 1 7 . 1 1 89 89 TYR C C 89 176.631 176.631 176.117 0.514 18901 4122 1 7 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.616 1.013 18901 4123 1 7 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.056 -0.594 18901 4124 1 7 . 1 1 89 89 TYR H H 89 8.533 8.533 8.788 -0.255 18901 4125 1 7 . 1 1 90 90 THR N N 90 115.232 115.232 115.730 -0.498 18901 4126 1 7 . 1 1 90 90 THR HA H 90 3.974 3.974 4.339 -0.365 18901 4127 1 7 . 1 1 90 90 THR C C 90 176.298 176.298 175.507 0.791 18901 4128 1 7 . 1 1 90 90 THR CA C 90 65.610 65.610 64.272 1.338 18901 4129 1 7 . 1 1 90 90 THR CB C 90 68.758 68.758 69.585 -0.827 18901 4130 1 7 . 1 1 90 90 THR H H 90 8.024 8.024 8.321 -0.297 18901 4131 1 7 . 1 1 91 91 THR N N 91 112.253 112.253 112.901 -0.648 18901 4132 1 7 . 1 1 91 91 THR HA H 91 4.290 4.290 4.521 -0.231 18901 4133 1 7 . 1 1 91 91 THR C C 91 174.644 174.644 173.513 1.131 18901 4134 1 7 . 1 1 91 91 THR CA C 91 61.288 61.288 62.140 -0.852 18901 4135 1 7 . 1 1 91 91 THR CB C 91 69.418 69.418 70.130 -0.712 18901 4136 1 7 . 1 1 91 91 THR H H 91 8.013 8.013 8.734 -0.721 18901 4137 1 7 . 1 1 92 92 LYS N N 92 121.833 121.833 121.942 -0.109 18901 4138 1 7 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.884 -0.425 18901 4139 1 7 . 1 1 92 92 LYS CA C 92 54.432 54.432 52.801 1.631 18901 4140 1 7 . 1 1 92 92 LYS CB C 92 29.423 29.423 33.514 -4.091 18901 4141 1 7 . 1 1 92 92 LYS H H 92 7.883 7.883 7.950 -0.067 18901 4142 1 7 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.760 -0.549 18901 4143 1 7 . 1 1 93 93 PRO C C 93 176.775 176.775 175.292 1.483 18901 4144 1 7 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.698 0.687 18901 4145 1 7 . 1 1 93 93 PRO CB C 93 32.214 32.214 29.896 2.318 18901 4146 1 7 . 1 1 94 94 ALA N N 94 122.487 122.487 125.439 -2.952 18901 4147 1 7 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.102 -0.237 18901 4148 1 7 . 1 1 94 94 ALA C C 94 175.790 175.790 175.500 0.290 18901 4149 1 7 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.033 0.978 18901 4150 1 7 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.870 -0.030 18901 4151 1 7 . 1 1 94 94 ALA H H 94 8.072 8.072 8.413 -0.341 18901 4152 1 7 . 1 1 95 95 ILE N N 95 120.526 120.526 120.032 0.494 18901 4153 1 7 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.694 -0.403 18901 4154 1 7 . 1 1 95 95 ILE C C 95 175.063 175.063 175.589 -0.526 18901 4155 1 7 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.483 -1.053 18901 4156 1 7 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.515 1.141 18901 4157 1 7 . 1 1 95 95 ILE H H 95 8.099 8.099 8.385 -0.286 18901 4158 1 7 . 1 1 96 96 ILE N N 96 126.053 126.053 123.175 2.878 18901 4159 1 7 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.761 0.193 18901 4160 1 7 . 1 1 96 96 ILE C C 96 175.609 175.609 174.714 0.895 18901 4161 1 7 . 1 1 96 96 ILE CA C 96 60.290 60.290 58.459 1.831 18901 4162 1 7 . 1 1 96 96 ILE CB C 96 39.899 39.899 38.850 1.049 18901 4163 1 7 . 1 1 96 96 ILE H H 96 9.393 9.393 8.056 1.337 18901 4164 1 7 . 1 1 97 97 PHE N N 97 120.455 120.455 124.743 -4.288 18901 4165 1 7 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.205 0.812 18901 4166 1 7 . 1 1 97 97 PHE C C 97 177.044 177.044 175.086 1.958 18901 4167 1 7 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.206 -0.438 18901 4168 1 7 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.761 0.925 18901 4169 1 7 . 1 1 97 97 PHE H H 97 8.626 8.626 8.113 0.513 18901 4170 1 7 . 1 1 98 98 ARG N N 98 117.253 117.253 122.041 -4.788 18901 4171 1 7 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.329 0.112 18901 4172 1 7 . 1 1 98 98 ARG C C 98 176.125 176.125 175.302 0.823 18901 4173 1 7 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.333 -0.370 18901 4174 1 7 . 1 1 98 98 ARG CB C 98 35.621 35.621 32.446 3.175 18901 4175 1 7 . 1 1 98 98 ARG H H 98 9.041 9.041 8.782 0.259 18901 4176 1 7 . 1 1 99 99 ILE N N 99 120.894 120.894 123.461 -2.567 18901 4177 1 7 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.623 0.396 18901 4178 1 7 . 1 1 99 99 ILE C C 99 174.486 174.486 173.862 0.624 18901 4179 1 7 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.938 0.996 18901 4180 1 7 . 1 1 99 99 ILE CB C 99 41.415 41.415 41.407 0.008 18901 4181 1 7 . 1 1 99 99 ILE H H 99 8.499 8.499 8.181 0.318 18901 4182 1 7 . 1 1 100 100 ALA N N 100 127.368 127.368 127.729 -0.361 18901 4183 1 7 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.847 0.041 18901 4184 1 7 . 1 1 100 100 ALA C C 100 175.044 175.044 174.948 0.096 18901 4185 1 7 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.357 0.999 18901 4186 1 7 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.122 1.468 18901 4187 1 7 . 1 1 100 100 ALA H H 100 8.779 8.779 7.955 0.824 18901 4188 1 7 . 1 1 101 101 ALA N N 101 123.472 123.472 122.272 1.200 18901 4189 1 7 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.730 2.388 18901 4190 1 7 . 1 1 101 101 ALA C C 101 174.314 174.314 177.192 -2.878 18901 4191 1 7 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.016 -0.448 18901 4192 1 7 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.230 5.391 18901 4193 1 7 . 1 1 101 101 ALA H H 101 9.955 9.955 8.503 1.452 18901 4194 1 7 . 1 1 102 102 ARG N N 102 119.295 119.295 124.929 -5.634 18901 4195 1 7 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.373 1.218 18901 4196 1 7 . 1 1 102 102 ARG C C 102 176.649 176.649 174.538 2.111 18901 4197 1 7 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.289 -0.218 18901 4198 1 7 . 1 1 102 102 ARG CB C 102 33.170 33.170 28.336 4.834 18901 4199 1 7 . 1 1 102 102 ARG H H 102 8.474 8.474 7.764 0.710 18901 4200 1 7 . 1 1 103 103 ASN N N 103 124.198 124.198 121.834 2.364 18901 4201 1 7 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.151 0.303 18901 4202 1 7 . 1 1 103 103 ASN C C 103 176.327 176.327 176.327 0.000 18901 4203 1 7 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.852 -0.548 18901 4204 1 7 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.064 -1.405 18901 4205 1 7 . 1 1 103 103 ASN H H 103 7.816 7.816 7.778 0.038 18901 4206 1 7 . 1 1 104 104 GLU N N 104 115.270 115.270 120.503 -5.233 18901 4207 1 7 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.058 -0.205 18901 4208 1 7 . 1 1 104 104 GLU C C 104 177.716 177.716 177.482 0.234 18901 4209 1 7 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.546 1.359 18901 4210 1 7 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.106 0.058 18901 4211 1 7 . 1 1 104 104 GLU H H 104 9.416 9.416 8.681 0.735 18901 4212 1 7 . 1 1 105 105 LYS N N 105 116.576 116.576 117.544 -0.968 18901 4213 1 7 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.223 0.039 18901 4214 1 7 . 1 1 105 105 LYS C C 105 177.667 177.667 176.809 0.858 18901 4215 1 7 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.554 0.501 18901 4216 1 7 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.884 0.167 18901 4217 1 7 . 1 1 105 105 LYS H H 105 7.737 7.737 7.669 0.068 18901 4218 1 7 . 1 1 106 106 GLY N N 106 104.067 104.067 106.185 -2.118 18901 4219 1 7 . 1 1 106 106 GLY C C 106 172.796 172.796 174.698 -1.902 18901 4220 1 7 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.391 1.525 18901 4221 1 7 . 1 1 106 106 GLY H H 106 7.906 7.906 7.576 0.330 18901 4222 1 7 . 1 1 107 107 TYR N N 107 117.296 117.296 121.959 -4.663 18901 4223 1 7 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.740 0.009 18901 4224 1 7 . 1 1 107 107 TYR C C 107 178.772 178.772 176.474 2.298 18901 4225 1 7 . 1 1 107 107 TYR CA C 107 59.800 59.800 56.676 3.123 18901 4226 1 7 . 1 1 107 107 TYR CB C 107 40.566 40.566 37.717 2.849 18901 4227 1 7 . 1 1 107 107 TYR H H 107 8.378 8.378 8.659 -0.281 18901 4228 1 7 . 1 1 108 108 GLY N N 108 107.379 107.379 109.177 -1.798 18901 4229 1 7 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.261 -1.000 18901 4230 1 7 . 1 1 108 108 GLY H H 108 8.651 8.651 7.792 0.859 18901 4231 1 7 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.639 -0.694 18901 4232 1 7 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.785 0.086 18901 4233 1 7 . 1 1 110 110 ALA C C 110 179.404 179.404 176.946 2.458 18901 4234 1 7 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.471 -0.203 18901 4235 1 7 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.100 -1.985 18901 4236 1 7 . 1 1 111 111 THR N N 111 118.432 118.432 117.188 1.244 18901 4237 1 7 . 1 1 111 111 THR HA H 111 4.396 4.396 4.298 0.098 18901 4238 1 7 . 1 1 111 111 THR C C 111 173.449 173.449 174.000 -0.551 18901 4239 1 7 . 1 1 111 111 THR CA C 111 61.721 61.721 62.773 -1.052 18901 4240 1 7 . 1 1 111 111 THR CB C 111 69.967 69.967 69.394 0.573 18901 4241 1 7 . 1 1 111 111 THR H H 111 8.810 8.810 8.336 0.474 18901 4242 1 7 . 1 1 112 112 GLN N N 112 127.590 127.590 128.580 -0.990 18901 4243 1 7 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.882 0.455 18901 4244 1 7 . 1 1 112 112 GLN C C 112 175.442 175.442 175.347 0.095 18901 4245 1 7 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.589 -0.786 18901 4246 1 7 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.594 2.159 18901 4247 1 7 . 1 1 112 112 GLN H H 112 8.698 8.698 8.776 -0.078 18901 4248 1 7 . 1 1 113 113 VAL N N 113 123.646 123.646 122.866 0.780 18901 4249 1 7 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.799 -0.225 18901 4250 1 7 . 1 1 113 113 VAL C C 113 173.891 173.891 174.153 -0.262 18901 4251 1 7 . 1 1 113 113 VAL CA C 113 60.284 60.284 59.578 0.706 18901 4252 1 7 . 1 1 113 113 VAL CB C 113 36.064 36.064 34.349 1.715 18901 4253 1 7 . 1 1 113 113 VAL H H 113 9.101 9.101 8.663 0.438 18901 4254 1 7 . 1 1 114 114 ARG N N 114 122.944 122.944 118.349 4.595 18901 4255 1 7 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.587 -0.654 18901 4256 1 7 . 1 1 114 114 ARG C C 114 175.683 175.683 175.088 0.595 18901 4257 1 7 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.904 -0.155 18901 4258 1 7 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.005 -0.952 18901 4259 1 7 . 1 1 114 114 ARG H H 114 8.434 8.434 8.285 0.149 18901 4260 1 7 . 1 1 115 115 TRP N N 115 126.067 126.067 123.228 2.839 18901 4261 1 7 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.032 0.225 18901 4262 1 7 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.438 -1.917 18901 4263 1 7 . 1 1 115 115 TRP CB C 115 30.048 30.048 31.808 -1.760 18901 4264 1 7 . 1 1 115 115 TRP H H 115 9.944 9.944 9.024 0.920 18901 4265 1 7 . 1 1 116 116 LEU N N 116 130.031 130.031 123.848 6.183 18901 4266 1 7 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.745 -0.482 18901 4267 1 7 . 1 1 116 116 LEU CA C 116 55.697 55.697 52.849 2.848 18901 4268 1 7 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.811 -1.084 18901 4269 1 7 . 1 1 116 116 LEU H H 116 8.722 8.722 8.185 0.537 18901 4270 1 7 . 1 1 117 117 GLN N N 117 124.737 124.737 118.224 6.513 18901 4271 1 7 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.708 0.340 18901 4272 1 7 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.990 0.445 18901 4273 1 7 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.024 4.644 18901 4274 1 7 . 1 1 117 117 GLN H H 117 7.453 7.453 8.642 -1.189 18901 4275 1 7 . 1 1 118 118 GLU N N 118 118.531 118.531 117.791 0.740 18901 4276 1 7 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.206 0.189 18901 4277 1 7 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.879 -2.197 18901 4278 1 7 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.507 0.865 18901 4279 1 7 . 1 1 118 118 GLU H H 118 7.891 7.891 8.045 -0.154 18901 4280 1 7 . 1 1 119 119 THR N N 119 121.831 121.831 113.941 7.890 18901 4281 1 7 . 1 1 119 119 THR HA H 119 4.267 4.267 4.135 0.132 18901 4282 1 7 . 1 1 119 119 THR CA C 119 55.604 55.604 63.162 -7.558 18901 4283 1 7 . 1 1 119 119 THR CB C 119 69.285 69.285 68.735 0.550 18901 4284 1 7 . 1 1 119 119 THR H H 119 7.892 7.892 7.857 0.035 18901 4285 1 8 . 1 1 6 6 PHE N N 6 117.872 117.872 121.009 -3.137 18901 4286 1 8 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.728 0.062 18901 4287 1 8 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.804 2.222 18901 4288 1 8 . 1 1 6 6 PHE CB C 6 38.260 38.260 38.132 0.128 18901 4289 1 8 . 1 1 6 6 PHE H H 6 7.818 7.818 8.494 -0.676 18901 4290 1 8 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.948 -58.762 18901 4291 1 8 . 1 1 8 8 GLY N N 8 101.657 101.657 106.981 -5.324 18901 4292 1 8 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.476 -0.300 18901 4293 1 8 . 1 1 8 8 GLY H H 8 7.927 7.927 8.507 -0.580 18901 4294 1 8 . 1 1 9 9 ALA N N 9 120.767 120.767 121.903 -1.136 18901 4295 1 8 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.055 0.810 18901 4296 1 8 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.706 -1.508 18901 4297 1 8 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.898 1.039 18901 4298 1 8 . 1 1 9 9 ALA H H 9 8.235 8.235 8.242 -0.007 18901 4299 1 8 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.789 -0.432 18901 4300 1 8 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.670 0.641 18901 4301 1 8 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.427 0.384 18901 4302 1 8 . 1 1 11 11 CYS N N 11 114.905 114.905 118.475 -3.570 18901 4303 1 8 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.684 0.254 18901 4304 1 8 . 1 1 11 11 CYS C C 11 172.706 172.706 174.371 -1.665 18901 4305 1 8 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.633 -0.794 18901 4306 1 8 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.402 0.737 18901 4307 1 8 . 1 1 11 11 CYS H H 11 8.084 8.084 8.504 -0.420 18901 4308 1 8 . 1 1 12 12 ALA N N 12 120.844 120.844 122.040 -1.196 18901 4309 1 8 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.017 -0.090 18901 4310 1 8 . 1 1 12 12 ALA C C 12 176.005 176.005 176.871 -0.866 18901 4311 1 8 . 1 1 12 12 ALA CA C 12 52.764 52.764 52.981 -0.217 18901 4312 1 8 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.662 -0.066 18901 4313 1 8 . 1 1 12 12 ALA H H 12 8.535 8.535 8.547 -0.012 18901 4314 1 8 . 1 1 13 13 ILE N N 13 116.800 116.800 118.946 -2.146 18901 4315 1 8 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.590 -0.137 18901 4316 1 8 . 1 1 13 13 ILE C C 13 177.506 177.506 176.661 0.845 18901 4317 1 8 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.146 0.189 18901 4318 1 8 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.656 -0.788 18901 4319 1 8 . 1 1 13 13 ILE H H 13 7.802 7.802 7.843 -0.041 18901 4320 1 8 . 1 1 14 14 LYS N N 14 129.030 129.030 127.240 1.790 18901 4321 1 8 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.858 -0.261 18901 4322 1 8 . 1 1 14 14 LYS C C 14 175.508 175.508 174.600 0.908 18901 4323 1 8 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.601 0.951 18901 4324 1 8 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.540 -1.252 18901 4325 1 8 . 1 1 14 14 LYS H H 14 9.249 9.249 8.741 0.508 18901 4326 1 8 . 1 1 15 15 ILE N N 15 121.333 121.333 119.180 2.153 18901 4327 1 8 . 1 1 15 15 ILE HA H 15 4.584 4.584 5.032 -0.448 18901 4328 1 8 . 1 1 15 15 ILE C C 15 175.983 175.983 175.882 0.101 18901 4329 1 8 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.270 0.538 18901 4330 1 8 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.545 -0.925 18901 4331 1 8 . 1 1 15 15 ILE H H 15 8.231 8.231 8.497 -0.266 18901 4332 1 8 . 1 1 16 16 SER N N 16 120.251 120.251 119.690 0.561 18901 4333 1 8 . 1 1 16 16 SER HA H 16 4.933 4.933 5.051 -0.118 18901 4334 1 8 . 1 1 16 16 SER C C 16 173.725 173.725 173.253 0.472 18901 4335 1 8 . 1 1 16 16 SER CA C 16 56.656 56.656 57.217 -0.561 18901 4336 1 8 . 1 1 16 16 SER CB C 16 65.750 65.750 66.353 -0.603 18901 4337 1 8 . 1 1 16 16 SER H H 16 8.694 8.694 8.347 0.347 18901 4338 1 8 . 1 1 17 17 LYS N N 17 124.155 124.155 123.352 0.803 18901 4339 1 8 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.538 0.122 18901 4340 1 8 . 1 1 17 17 LYS C C 17 175.815 175.815 175.575 0.240 18901 4341 1 8 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.405 0.870 18901 4342 1 8 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.221 1.345 18901 4343 1 8 . 1 1 17 17 LYS H H 17 8.985 8.985 8.731 0.254 18901 4344 1 8 . 1 1 18 18 SER N N 18 121.663 121.663 120.571 1.092 18901 4345 1 8 . 1 1 18 18 SER HA H 18 5.076 5.076 4.968 0.108 18901 4346 1 8 . 1 1 18 18 SER CA C 18 56.676 56.676 55.556 1.119 18901 4347 1 8 . 1 1 18 18 SER CB C 18 64.993 64.993 64.563 0.430 18901 4348 1 8 . 1 1 18 18 SER H H 18 8.555 8.555 8.276 0.279 18901 4349 1 8 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.443 -0.109 18901 4350 1 8 . 1 1 19 19 PRO C C 19 177.406 177.406 177.007 0.399 18901 4351 1 8 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.068 0.421 18901 4352 1 8 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.694 0.371 18901 4353 1 8 . 1 1 20 20 ASP N N 20 110.573 110.573 117.631 -7.058 18901 4354 1 8 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.795 -0.116 18901 4355 1 8 . 1 1 20 20 ASP C C 20 176.667 176.667 175.795 0.872 18901 4356 1 8 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.005 -0.447 18901 4357 1 8 . 1 1 20 20 ASP CB C 20 41.423 41.423 42.195 -0.772 18901 4358 1 8 . 1 1 20 20 ASP H H 20 8.019 8.019 7.980 0.039 18901 4359 1 8 . 1 1 21 21 GLY N N 21 107.592 107.592 105.568 2.024 18901 4360 1 8 . 1 1 21 21 GLY C C 21 172.365 172.365 172.283 0.082 18901 4361 1 8 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.561 1.169 18901 4362 1 8 . 1 1 21 21 GLY H H 21 7.623 7.623 7.425 0.198 18901 4363 1 8 . 1 1 22 22 ALA N N 22 123.764 123.764 122.827 0.937 18901 4364 1 8 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.152 -0.365 18901 4365 1 8 . 1 1 22 22 ALA C C 22 175.801 175.801 176.429 -0.628 18901 4366 1 8 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.119 0.660 18901 4367 1 8 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.748 0.386 18901 4368 1 8 . 1 1 22 22 ALA H H 22 8.704 8.704 8.332 0.372 18901 4369 1 8 . 1 1 23 23 HIS N N 23 120.666 120.666 122.783 -2.117 18901 4370 1 8 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.658 0.323 18901 4371 1 8 . 1 1 23 23 HIS C C 23 174.199 174.199 174.407 -0.208 18901 4372 1 8 . 1 1 23 23 HIS CA C 23 54.267 54.267 53.946 0.321 18901 4373 1 8 . 1 1 23 23 HIS CB C 23 29.989 29.989 28.331 1.658 18901 4374 1 8 . 1 1 23 23 HIS H H 23 9.088 9.088 8.800 0.288 18901 4375 1 8 . 1 1 24 24 LEU N N 24 127.467 127.467 126.113 1.354 18901 4376 1 8 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.661 0.519 18901 4377 1 8 . 1 1 24 24 LEU C C 24 176.430 176.430 176.692 -0.262 18901 4378 1 8 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.654 0.874 18901 4379 1 8 . 1 1 24 24 LEU CB C 24 44.957 44.957 41.825 3.132 18901 4380 1 8 . 1 1 24 24 LEU H H 24 8.702 8.702 7.854 0.848 18901 4381 1 8 . 1 1 25 25 THR N N 25 111.459 111.459 118.089 -6.630 18901 4382 1 8 . 1 1 25 25 THR HA H 25 4.186 4.186 4.186 -0.000 18901 4383 1 8 . 1 1 25 25 THR C C 25 172.720 172.720 172.819 -0.099 18901 4384 1 8 . 1 1 25 25 THR CA C 25 60.798 60.798 61.646 -0.848 18901 4385 1 8 . 1 1 25 25 THR CB C 25 72.021 72.021 71.739 0.283 18901 4386 1 8 . 1 1 25 25 THR H H 25 8.643 8.643 8.533 0.110 18901 4387 1 8 . 1 1 26 26 TRP N N 26 117.073 117.073 121.198 -4.125 18901 4388 1 8 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.415 -0.382 18901 4389 1 8 . 1 1 26 26 TRP C C 26 173.425 173.425 174.234 -0.809 18901 4390 1 8 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.481 1.206 18901 4391 1 8 . 1 1 26 26 TRP CB C 26 30.157 30.157 30.620 -0.463 18901 4392 1 8 . 1 1 26 26 TRP H H 26 7.301 7.301 7.959 -0.658 18901 4393 1 8 . 1 1 27 27 GLU N N 27 115.563 115.563 120.322 -4.759 18901 4394 1 8 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.460 0.362 18901 4395 1 8 . 1 1 27 27 GLU CA C 27 52.889 52.889 55.371 -2.482 18901 4396 1 8 . 1 1 27 27 GLU CB C 27 30.830 30.830 29.223 1.607 18901 4397 1 8 . 1 1 27 27 GLU H H 27 8.753 8.753 8.397 0.356 18901 4398 1 8 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.638 -0.299 18901 4399 1 8 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.202 4.345 18901 4400 1 8 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.974 1.167 18901 4401 1 8 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.510 -0.225 18901 4402 1 8 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.447 -1.467 18901 4403 1 8 . 1 1 29 29 PRO CB C 29 32.884 32.884 31.087 1.798 18901 4404 1 8 . 1 1 30 30 SER N N 30 110.838 110.838 119.234 -8.396 18901 4405 1 8 . 1 1 30 30 SER HA H 30 3.910 3.910 4.650 -0.740 18901 4406 1 8 . 1 1 30 30 SER CA C 30 56.967 56.967 58.271 -1.304 18901 4407 1 8 . 1 1 30 30 SER CB C 30 64.771 64.771 64.275 0.496 18901 4408 1 8 . 1 1 30 30 SER H H 30 8.317 8.317 8.368 -0.051 18901 4409 1 8 . 1 1 31 31 VAL N N 31 114.209 114.209 121.381 -7.172 18901 4410 1 8 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.186 0.022 18901 4411 1 8 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.388 -1.607 18901 4412 1 8 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.823 0.948 18901 4413 1 8 . 1 1 31 31 VAL H H 31 8.320 8.320 8.105 0.215 18901 4414 1 8 . 1 1 32 32 THR N N 32 119.600 119.600 111.731 7.869 18901 4415 1 8 . 1 1 32 32 THR HA H 32 4.179 4.179 4.633 -0.454 18901 4416 1 8 . 1 1 32 32 THR CA C 32 60.465 60.465 60.974 -0.509 18901 4417 1 8 . 1 1 32 32 THR CB C 32 63.211 63.211 71.380 -8.169 18901 4418 1 8 . 1 1 32 32 THR H H 32 7.828 7.828 7.656 0.172 18901 4419 1 8 . 1 1 33 33 SER N N 33 115.967 115.967 117.487 -1.520 18901 4420 1 8 . 1 1 33 33 SER HA H 33 4.179 4.179 4.474 -0.295 18901 4421 1 8 . 1 1 33 33 SER C C 33 174.332 174.332 174.488 -0.156 18901 4422 1 8 . 1 1 33 33 SER CA C 33 60.428 60.428 58.130 2.298 18901 4423 1 8 . 1 1 33 33 SER CB C 33 62.209 62.209 62.238 -0.029 18901 4424 1 8 . 1 1 33 33 SER H H 33 8.292 8.292 8.623 -0.331 18901 4425 1 8 . 1 1 34 34 GLY N N 34 106.879 106.879 109.244 -2.365 18901 4426 1 8 . 1 1 34 34 GLY C C 34 173.709 173.709 173.434 0.275 18901 4427 1 8 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.530 -0.159 18901 4428 1 8 . 1 1 34 34 GLY H H 34 7.848 7.848 7.698 0.150 18901 4429 1 8 . 1 1 35 35 LYS N N 35 122.205 122.205 127.060 -4.855 18901 4430 1 8 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.227 0.083 18901 4431 1 8 . 1 1 35 35 LYS C C 35 176.262 176.262 175.847 0.415 18901 4432 1 8 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.409 0.262 18901 4433 1 8 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.170 2.077 18901 4434 1 8 . 1 1 35 35 LYS H H 35 8.628 8.628 8.517 0.111 18901 4435 1 8 . 1 1 36 36 ILE N N 36 120.178 120.178 124.839 -4.661 18901 4436 1 8 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.893 0.228 18901 4437 1 8 . 1 1 36 36 ILE C C 36 177.751 177.751 176.935 0.816 18901 4438 1 8 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.795 -3.874 18901 4439 1 8 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.426 -3.114 18901 4440 1 8 . 1 1 36 36 ILE H H 36 8.344 8.344 7.998 0.346 18901 4441 1 8 . 1 1 37 37 ILE N N 37 122.285 122.285 120.573 1.712 18901 4442 1 8 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.468 -0.251 18901 4443 1 8 . 1 1 37 37 ILE C C 37 176.085 176.085 175.796 0.289 18901 4444 1 8 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.277 -0.335 18901 4445 1 8 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.288 -0.489 18901 4446 1 8 . 1 1 37 37 ILE H H 37 8.460 8.460 8.967 -0.507 18901 4447 1 8 . 1 1 38 38 GLU N N 38 116.489 116.489 119.364 -2.875 18901 4448 1 8 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.626 -0.457 18901 4449 1 8 . 1 1 38 38 GLU C C 38 171.864 171.864 174.240 -2.376 18901 4450 1 8 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.257 0.719 18901 4451 1 8 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.166 1.314 18901 4452 1 8 . 1 1 38 38 GLU H H 38 7.143 7.143 7.713 -0.570 18901 4453 1 8 . 1 1 39 39 TYR N N 39 118.418 118.418 117.739 0.679 18901 4454 1 8 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.088 0.607 18901 4455 1 8 . 1 1 39 39 TYR C C 39 176.190 176.190 174.998 1.192 18901 4456 1 8 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.684 -0.773 18901 4457 1 8 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.555 0.181 18901 4458 1 8 . 1 1 39 39 TYR H H 39 8.860 8.860 8.818 0.042 18901 4459 1 8 . 1 1 40 40 SER N N 40 111.613 111.613 112.869 -1.256 18901 4460 1 8 . 1 1 40 40 SER HA H 40 5.497 5.497 4.889 0.608 18901 4461 1 8 . 1 1 40 40 SER C C 40 172.888 172.888 172.325 0.563 18901 4462 1 8 . 1 1 40 40 SER CA C 40 58.729 58.729 57.098 1.631 18901 4463 1 8 . 1 1 40 40 SER CB C 40 69.596 69.596 66.995 2.601 18901 4464 1 8 . 1 1 40 40 SER H H 40 8.705 8.705 8.646 0.059 18901 4465 1 8 . 1 1 41 41 VAL N N 41 119.202 119.202 121.566 -2.364 18901 4466 1 8 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.688 0.148 18901 4467 1 8 . 1 1 41 41 VAL C C 41 175.106 175.106 174.701 0.405 18901 4468 1 8 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.313 -0.647 18901 4469 1 8 . 1 1 41 41 VAL CB C 41 34.691 34.691 33.989 0.702 18901 4470 1 8 . 1 1 41 41 VAL H H 41 8.428 8.428 8.363 0.065 18901 4471 1 8 . 1 1 42 42 TYR N N 42 124.792 124.792 125.779 -0.987 18901 4472 1 8 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.196 0.300 18901 4473 1 8 . 1 1 42 42 TYR C C 42 174.659 174.659 174.626 0.033 18901 4474 1 8 . 1 1 42 42 TYR CA C 42 55.760 55.760 57.033 -1.273 18901 4475 1 8 . 1 1 42 42 TYR CB C 42 42.396 42.396 40.092 2.304 18901 4476 1 8 . 1 1 42 42 TYR H H 42 9.773 9.773 9.201 0.572 18901 4477 1 8 . 1 1 43 43 LEU N N 43 123.210 123.210 122.525 0.685 18901 4478 1 8 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.694 0.559 18901 4479 1 8 . 1 1 43 43 LEU C C 43 176.296 176.296 174.804 1.492 18901 4480 1 8 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.862 0.484 18901 4481 1 8 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.701 1.848 18901 4482 1 8 . 1 1 43 43 LEU H H 43 9.368 9.368 8.796 0.572 18901 4483 1 8 . 1 1 44 44 ALA N N 44 127.556 127.556 129.350 -1.794 18901 4484 1 8 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.729 -0.405 18901 4485 1 8 . 1 1 44 44 ALA C C 44 178.318 178.318 176.537 1.781 18901 4486 1 8 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.040 -0.296 18901 4487 1 8 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.661 -1.012 18901 4488 1 8 . 1 1 44 44 ALA H H 44 8.366 8.366 8.686 -0.320 18901 4489 1 8 . 1 1 45 45 ILE N N 45 119.672 119.672 119.122 0.550 18901 4490 1 8 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.160 -0.417 18901 4491 1 8 . 1 1 45 45 ILE C C 45 175.937 175.937 175.170 0.767 18901 4492 1 8 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.133 1.988 18901 4493 1 8 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.483 0.306 18901 4494 1 8 . 1 1 45 45 ILE H H 45 8.599 8.599 8.164 0.435 18901 4495 1 8 . 1 1 46 46 GLN N N 46 120.248 120.248 121.559 -1.311 18901 4496 1 8 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.384 0.023 18901 4497 1 8 . 1 1 46 46 GLN C C 46 176.355 176.355 175.029 1.326 18901 4498 1 8 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.897 -1.083 18901 4499 1 8 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.274 2.566 18901 4500 1 8 . 1 1 46 46 GLN H H 46 8.207 8.207 8.445 -0.238 18901 4501 1 8 . 1 1 47 47 SER N N 47 117.541 117.541 117.194 0.347 18901 4502 1 8 . 1 1 47 47 SER HA H 47 4.445 4.445 4.700 -0.255 18901 4503 1 8 . 1 1 47 47 SER C C 47 175.100 175.100 172.498 2.602 18901 4504 1 8 . 1 1 47 47 SER CA C 47 57.957 57.957 57.496 0.461 18901 4505 1 8 . 1 1 47 47 SER CB C 47 64.188 64.188 64.032 0.156 18901 4506 1 8 . 1 1 47 47 SER H H 47 8.316 8.316 7.947 0.369 18901 4507 1 8 . 1 1 48 48 SER N N 48 116.421 116.421 115.469 0.952 18901 4508 1 8 . 1 1 48 48 SER HA H 48 4.446 4.446 4.761 -0.315 18901 4509 1 8 . 1 1 48 48 SER CA C 48 58.395 58.395 58.355 0.040 18901 4510 1 8 . 1 1 48 48 SER CB C 48 63.932 63.932 64.353 -0.422 18901 4511 1 8 . 1 1 48 48 SER H H 48 8.096 8.096 8.410 -0.314 18901 4512 1 8 . 1 1 49 49 GLN N N 49 120.755 120.755 122.003 -1.248 18901 4513 1 8 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.593 -0.282 18901 4514 1 8 . 1 1 49 49 GLN C C 49 176.420 176.420 174.525 1.895 18901 4515 1 8 . 1 1 49 49 GLN CA C 49 55.842 55.842 54.767 1.075 18901 4516 1 8 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.438 -0.687 18901 4517 1 8 . 1 1 49 49 GLN H H 49 8.308 8.308 8.284 0.024 18901 4518 1 8 . 1 1 50 50 ALA N N 50 124.199 124.199 126.089 -1.890 18901 4519 1 8 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.284 0.028 18901 4520 1 8 . 1 1 50 50 ALA C C 50 178.375 178.375 176.853 1.522 18901 4521 1 8 . 1 1 50 50 ALA CA C 50 52.620 52.620 53.218 -0.598 18901 4522 1 8 . 1 1 50 50 ALA CB C 50 19.453 19.453 18.455 0.998 18901 4523 1 8 . 1 1 50 50 ALA H H 50 8.219 8.219 8.558 -0.339 18901 4524 1 8 . 1 1 51 51 SER N N 51 113.652 113.652 118.192 -4.540 18901 4525 1 8 . 1 1 51 51 SER HA H 51 4.307 4.307 4.527 -0.220 18901 4526 1 8 . 1 1 51 51 SER C C 51 175.739 175.739 173.189 2.550 18901 4527 1 8 . 1 1 51 51 SER CA C 51 52.695 52.695 58.571 -5.876 18901 4528 1 8 . 1 1 51 51 SER CB C 51 62.104 62.104 66.066 -3.962 18901 4529 1 8 . 1 1 51 51 SER H H 51 8.148 8.148 8.292 -0.144 18901 4530 1 8 . 1 1 52 52 GLY N N 52 109.442 109.442 111.348 -1.906 18901 4531 1 8 . 1 1 52 52 GLY C C 52 174.511 174.511 173.855 0.656 18901 4532 1 8 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.561 -0.163 18901 4533 1 8 . 1 1 52 52 GLY H H 52 8.267 8.267 8.077 0.190 18901 4534 1 8 . 1 1 53 53 GLU N N 53 120.137 120.137 123.207 -3.070 18901 4535 1 8 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.456 0.097 18901 4536 1 8 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.769 -0.714 18901 4537 1 8 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.825 0.019 18901 4538 1 8 . 1 1 53 53 GLU H H 53 7.951 7.951 8.253 -0.302 18901 4539 1 8 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.463 -0.098 18901 4540 1 8 . 1 1 54 54 PRO C C 54 177.830 177.830 176.212 1.618 18901 4541 1 8 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.003 0.707 18901 4542 1 8 . 1 1 54 54 PRO CB C 54 32.712 32.712 30.289 2.423 18901 4543 1 8 . 1 1 55 55 LYS N N 55 119.406 119.406 119.008 0.398 18901 4544 1 8 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.811 0.454 18901 4545 1 8 . 1 1 55 55 LYS C C 55 177.347 177.347 176.453 0.894 18901 4546 1 8 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.720 -1.023 18901 4547 1 8 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.940 1.306 18901 4548 1 8 . 1 1 55 55 LYS H H 55 8.315 8.315 8.323 -0.008 18901 4549 1 8 . 1 1 56 56 SER N N 56 114.624 114.624 113.365 1.259 18901 4550 1 8 . 1 1 56 56 SER HA H 56 4.564 4.564 4.293 0.271 18901 4551 1 8 . 1 1 56 56 SER C C 56 175.285 175.285 174.669 0.616 18901 4552 1 8 . 1 1 56 56 SER CA C 56 60.090 60.090 60.340 -0.250 18901 4553 1 8 . 1 1 56 56 SER CB C 56 63.305 63.305 63.614 -0.308 18901 4554 1 8 . 1 1 56 56 SER H H 56 8.090 8.090 7.902 0.188 18901 4555 1 8 . 1 1 57 57 SER N N 57 116.016 116.016 114.188 1.828 18901 4556 1 8 . 1 1 57 57 SER HA H 57 4.455 4.455 4.683 -0.228 18901 4557 1 8 . 1 1 57 57 SER C C 57 174.988 174.988 172.987 2.001 18901 4558 1 8 . 1 1 57 57 SER CA C 57 58.332 58.332 58.152 0.180 18901 4559 1 8 . 1 1 57 57 SER CB C 57 63.876 63.876 64.241 -0.365 18901 4560 1 8 . 1 1 57 57 SER H H 57 8.224 8.224 8.331 -0.107 18901 4561 1 8 . 1 1 58 58 THR N N 58 116.090 116.090 118.348 -2.258 18901 4562 1 8 . 1 1 58 58 THR HA H 58 4.602 4.602 4.586 0.016 18901 4563 1 8 . 1 1 58 58 THR CA C 58 59.935 59.935 59.772 0.163 18901 4564 1 8 . 1 1 58 58 THR CB C 58 69.773 69.773 69.511 0.262 18901 4565 1 8 . 1 1 58 58 THR H H 58 7.939 7.939 8.268 -0.329 18901 4566 1 8 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.393 -0.112 18901 4567 1 8 . 1 1 59 59 PRO C C 59 177.272 177.272 176.662 0.610 18901 4568 1 8 . 1 1 59 59 PRO CA C 59 62.076 62.076 63.286 -1.210 18901 4569 1 8 . 1 1 59 59 PRO CB C 59 32.778 32.778 31.320 1.458 18901 4570 1 8 . 1 1 60 60 ALA N N 60 122.319 122.319 126.285 -3.966 18901 4571 1 8 . 1 1 60 60 ALA HA H 60 4.219 4.219 3.977 0.242 18901 4572 1 8 . 1 1 60 60 ALA C C 60 178.277 178.277 177.040 1.237 18901 4573 1 8 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.707 -0.207 18901 4574 1 8 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.507 1.952 18901 4575 1 8 . 1 1 60 60 ALA H H 60 8.156 8.156 8.375 -0.219 18901 4576 1 8 . 1 1 61 61 GLN N N 61 117.680 117.680 114.236 3.444 18901 4577 1 8 . 1 1 61 61 GLN HA H 61 4.278 4.278 3.734 0.544 18901 4578 1 8 . 1 1 61 61 GLN C C 61 176.148 176.148 175.795 0.353 18901 4579 1 8 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.696 -0.171 18901 4580 1 8 . 1 1 61 61 GLN CB C 61 30.044 30.044 26.736 3.308 18901 4581 1 8 . 1 1 61 61 GLN H H 61 8.016 8.016 7.711 0.305 18901 4582 1 8 . 1 1 62 62 LEU N N 62 121.805 121.805 118.862 2.943 18901 4583 1 8 . 1 1 62 62 LEU HA H 62 4.129 4.129 3.886 0.243 18901 4584 1 8 . 1 1 62 62 LEU C C 62 176.202 176.202 176.468 -0.266 18901 4585 1 8 . 1 1 62 62 LEU CA C 62 54.574 54.574 55.187 -0.613 18901 4586 1 8 . 1 1 62 62 LEU CB C 62 43.290 43.290 41.353 1.937 18901 4587 1 8 . 1 1 62 62 LEU H H 62 7.968 7.968 7.279 0.689 18901 4588 1 8 . 1 1 63 63 ALA N N 63 124.947 124.947 125.747 -0.800 18901 4589 1 8 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.450 0.046 18901 4590 1 8 . 1 1 63 63 ALA C C 63 176.252 176.252 175.895 0.357 18901 4591 1 8 . 1 1 63 63 ALA CA C 63 50.798 50.798 50.590 0.208 18901 4592 1 8 . 1 1 63 63 ALA CB C 63 20.646 20.646 19.742 0.904 18901 4593 1 8 . 1 1 63 63 ALA H H 63 8.434 8.434 7.864 0.570 18901 4594 1 8 . 1 1 64 64 PHE N N 64 117.099 117.099 121.756 -4.657 18901 4595 1 8 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.991 0.093 18901 4596 1 8 . 1 1 64 64 PHE C C 64 176.403 176.403 174.910 1.493 18901 4597 1 8 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.196 2.537 18901 4598 1 8 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.514 0.296 18901 4599 1 8 . 1 1 64 64 PHE H H 64 8.446 8.446 8.366 0.080 18901 4600 1 8 . 1 1 65 65 MET N N 65 120.470 120.470 121.572 -1.102 18901 4601 1 8 . 1 1 65 65 MET HA H 65 4.902 4.902 5.096 -0.194 18901 4602 1 8 . 1 1 65 65 MET CA C 65 53.984 53.984 54.394 -0.410 18901 4603 1 8 . 1 1 65 65 MET CB C 65 36.825 36.825 36.218 0.607 18901 4604 1 8 . 1 1 65 65 MET H H 65 9.050 9.050 9.309 -0.259 18901 4605 1 8 . 1 1 66 66 ARG N N 66 120.685 120.685 128.669 -7.984 18901 4606 1 8 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.268 -0.125 18901 4607 1 8 . 1 1 66 66 ARG C C 66 176.916 176.916 175.941 0.975 18901 4608 1 8 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.093 1.869 18901 4609 1 8 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.633 3.439 18901 4610 1 8 . 1 1 66 66 ARG H H 66 7.540 7.540 8.925 -1.385 18901 4611 1 8 . 1 1 67 67 VAL N N 67 117.677 117.677 116.414 1.263 18901 4612 1 8 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.832 0.882 18901 4613 1 8 . 1 1 67 67 VAL C C 67 175.777 175.777 176.452 -0.675 18901 4614 1 8 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.911 -3.992 18901 4615 1 8 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.760 1.654 18901 4616 1 8 . 1 1 67 67 VAL H H 67 8.859 8.859 7.835 1.024 18901 4617 1 8 . 1 1 68 68 TYR N N 68 120.707 120.707 123.094 -2.387 18901 4618 1 8 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.484 0.293 18901 4619 1 8 . 1 1 68 68 TYR C C 68 173.712 173.712 175.035 -1.323 18901 4620 1 8 . 1 1 68 68 TYR CA C 68 58.305 58.305 58.873 -0.568 18901 4621 1 8 . 1 1 68 68 TYR CB C 68 43.056 43.056 37.347 5.709 18901 4622 1 8 . 1 1 68 68 TYR H H 68 7.539 7.539 7.495 0.044 18901 4623 1 8 . 1 1 69 69 CYS N N 69 127.927 127.927 125.617 2.310 18901 4624 1 8 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.663 0.406 18901 4625 1 8 . 1 1 69 69 CYS C C 69 174.094 174.094 173.616 0.478 18901 4626 1 8 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.253 -1.063 18901 4627 1 8 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.391 -1.401 18901 4628 1 8 . 1 1 69 69 CYS H H 69 7.601 7.601 8.005 -0.404 18901 4629 1 8 . 1 1 70 70 GLY N N 70 114.822 114.822 113.267 1.555 18901 4630 1 8 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.602 1.544 18901 4631 1 8 . 1 1 70 70 GLY H H 70 8.336 8.336 8.150 0.186 18901 4632 1 8 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.497 0.051 18901 4633 1 8 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.454 0.210 18901 4634 1 8 . 1 1 72 72 SER N N 72 112.451 112.451 113.912 -1.461 18901 4635 1 8 . 1 1 72 72 SER HA H 72 4.850 4.850 4.770 0.080 18901 4636 1 8 . 1 1 72 72 SER CA C 72 56.874 56.874 56.333 0.541 18901 4637 1 8 . 1 1 72 72 SER CB C 72 63.248 63.248 63.205 0.043 18901 4638 1 8 . 1 1 72 72 SER H H 72 7.327 7.327 8.153 -0.826 18901 4639 1 8 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.699 -0.506 18901 4640 1 8 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.908 0.647 18901 4641 1 8 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.292 -0.056 18901 4642 1 8 . 1 1 74 74 SER N N 74 111.450 111.450 110.919 0.531 18901 4643 1 8 . 1 1 74 74 SER HA H 74 3.907 3.907 3.074 0.833 18901 4644 1 8 . 1 1 74 74 SER CA C 74 56.710 56.710 58.357 -1.647 18901 4645 1 8 . 1 1 74 74 SER CB C 74 64.647 64.647 61.438 3.209 18901 4646 1 8 . 1 1 74 74 SER H H 74 6.909 6.909 7.124 -0.215 18901 4647 1 8 . 1 1 75 75 CYS N N 75 124.103 124.103 119.338 4.765 18901 4648 1 8 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.195 -0.636 18901 4649 1 8 . 1 1 75 75 CYS C C 75 171.568 171.568 175.003 -3.435 18901 4650 1 8 . 1 1 75 75 CYS CA C 75 62.200 62.200 59.876 2.324 18901 4651 1 8 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.537 -2.286 18901 4652 1 8 . 1 1 75 75 CYS H H 75 6.017 6.017 7.609 -1.592 18901 4653 1 8 . 1 1 76 76 LEU N N 76 121.191 121.191 123.999 -2.808 18901 4654 1 8 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.400 0.423 18901 4655 1 8 . 1 1 76 76 LEU C C 76 176.786 176.786 176.539 0.247 18901 4656 1 8 . 1 1 76 76 LEU CA C 76 53.365 53.365 55.570 -2.205 18901 4657 1 8 . 1 1 76 76 LEU CB C 76 44.226 44.226 43.141 1.085 18901 4658 1 8 . 1 1 76 76 LEU H H 76 8.015 8.015 8.048 -0.033 18901 4659 1 8 . 1 1 77 77 VAL N N 77 126.347 126.347 121.001 5.346 18901 4660 1 8 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.379 -0.127 18901 4661 1 8 . 1 1 77 77 VAL C C 77 175.529 175.529 174.711 0.818 18901 4662 1 8 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.117 0.534 18901 4663 1 8 . 1 1 77 77 VAL CB C 77 32.676 32.676 34.153 -1.477 18901 4664 1 8 . 1 1 77 77 VAL H H 77 9.084 9.084 8.242 0.842 18901 4665 1 8 . 1 1 78 78 GLN N N 78 124.566 124.566 126.294 -1.728 18901 4666 1 8 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.345 0.170 18901 4667 1 8 . 1 1 78 78 GLN C C 78 178.805 178.805 177.434 1.371 18901 4668 1 8 . 1 1 78 78 GLN CA C 78 56.916 56.916 57.289 -0.373 18901 4669 1 8 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.116 1.282 18901 4670 1 8 . 1 1 78 78 GLN H H 78 8.908 8.908 8.812 0.096 18901 4671 1 8 . 1 1 79 79 SER N N 79 116.974 116.974 119.529 -2.555 18901 4672 1 8 . 1 1 79 79 SER HA H 79 4.087 4.087 4.200 -0.113 18901 4673 1 8 . 1 1 79 79 SER C C 79 177.179 177.179 176.236 0.943 18901 4674 1 8 . 1 1 79 79 SER CA C 79 62.454 62.454 61.750 0.704 18901 4675 1 8 . 1 1 79 79 SER CB C 79 62.787 62.787 63.134 -0.347 18901 4676 1 8 . 1 1 79 79 SER H H 79 8.458 8.458 8.615 -0.157 18901 4677 1 8 . 1 1 80 80 SER N N 80 114.734 114.734 117.191 -2.457 18901 4678 1 8 . 1 1 80 80 SER HA H 80 4.211 4.211 4.182 0.029 18901 4679 1 8 . 1 1 80 80 SER C C 80 177.853 177.853 176.514 1.339 18901 4680 1 8 . 1 1 80 80 SER CA C 80 61.190 61.190 61.630 -0.440 18901 4681 1 8 . 1 1 80 80 SER CB C 80 62.358 62.358 62.767 -0.409 18901 4682 1 8 . 1 1 80 80 SER H H 80 8.537 8.537 8.771 -0.234 18901 4683 1 8 . 1 1 81 81 SER N N 81 117.137 117.137 116.858 0.279 18901 4684 1 8 . 1 1 81 81 SER HA H 81 4.455 4.455 4.287 0.168 18901 4685 1 8 . 1 1 81 81 SER C C 81 175.702 175.702 176.834 -1.132 18901 4686 1 8 . 1 1 81 81 SER CA C 81 61.433 61.433 60.988 0.445 18901 4687 1 8 . 1 1 81 81 SER CB C 81 63.130 63.130 62.870 0.260 18901 4688 1 8 . 1 1 81 81 SER H H 81 7.514 7.514 7.790 -0.276 18901 4689 1 8 . 1 1 82 82 LEU N N 82 117.548 117.548 120.826 -3.278 18901 4690 1 8 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.087 -0.054 18901 4691 1 8 . 1 1 82 82 LEU C C 82 179.445 179.445 178.933 0.512 18901 4692 1 8 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.355 -0.653 18901 4693 1 8 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.478 0.310 18901 4694 1 8 . 1 1 82 82 LEU H H 82 7.629 7.629 7.679 -0.050 18901 4695 1 8 . 1 1 83 83 SER N N 83 113.258 113.258 113.729 -0.471 18901 4696 1 8 . 1 1 83 83 SER HA H 83 4.214 4.214 4.343 -0.130 18901 4697 1 8 . 1 1 83 83 SER C C 83 175.256 175.256 175.380 -0.124 18901 4698 1 8 . 1 1 83 83 SER CA C 83 61.192 61.192 60.922 0.271 18901 4699 1 8 . 1 1 83 83 SER CB C 83 63.544 63.544 63.231 0.313 18901 4700 1 8 . 1 1 83 83 SER H H 83 7.805 7.805 7.828 -0.023 18901 4701 1 8 . 1 1 84 84 ASN N N 84 116.565 116.565 118.084 -1.519 18901 4702 1 8 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.732 0.190 18901 4703 1 8 . 1 1 84 84 ASN C C 84 175.063 175.063 174.228 0.835 18901 4704 1 8 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.833 -1.161 18901 4705 1 8 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.495 0.196 18901 4706 1 8 . 1 1 84 84 ASN H H 84 7.612 7.612 7.703 -0.091 18901 4707 1 8 . 1 1 85 85 ALA N N 85 119.819 119.819 121.556 -1.737 18901 4708 1 8 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.502 -0.253 18901 4709 1 8 . 1 1 85 85 ALA C C 85 178.113 178.113 177.074 1.039 18901 4710 1 8 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.697 1.368 18901 4711 1 8 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.493 0.327 18901 4712 1 8 . 1 1 85 85 ALA H H 85 7.558 7.558 7.117 0.441 18901 4713 1 8 . 1 1 86 86 HIS N N 86 118.388 118.388 125.220 -6.832 18901 4714 1 8 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.543 -0.138 18901 4715 1 8 . 1 1 86 86 HIS C C 86 175.333 175.333 174.674 0.659 18901 4716 1 8 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.852 -0.233 18901 4717 1 8 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.212 -1.014 18901 4718 1 8 . 1 1 86 86 HIS H H 86 8.280 8.280 8.401 -0.121 18901 4719 1 8 . 1 1 87 87 ILE N N 87 126.618 126.618 128.429 -1.811 18901 4720 1 8 . 1 1 87 87 ILE HA H 87 4.055 4.055 3.937 0.118 18901 4721 1 8 . 1 1 87 87 ILE C C 87 174.718 174.718 175.909 -1.191 18901 4722 1 8 . 1 1 87 87 ILE CA C 87 59.427 59.427 60.003 -0.576 18901 4723 1 8 . 1 1 87 87 ILE CB C 87 37.442 37.442 36.332 1.110 18901 4724 1 8 . 1 1 87 87 ILE H H 87 7.873 7.873 8.243 -0.370 18901 4725 1 8 . 1 1 88 88 ASP N N 88 124.684 124.684 127.642 -2.958 18901 4726 1 8 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.700 -0.188 18901 4727 1 8 . 1 1 88 88 ASP C C 88 176.506 176.506 174.878 1.628 18901 4728 1 8 . 1 1 88 88 ASP CA C 88 53.237 53.237 55.040 -1.803 18901 4729 1 8 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.450 1.311 18901 4730 1 8 . 1 1 88 88 ASP H H 88 8.572 8.572 8.728 -0.156 18901 4731 1 8 . 1 1 89 89 TYR N N 89 122.959 122.959 124.270 -1.311 18901 4732 1 8 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.695 -0.316 18901 4733 1 8 . 1 1 89 89 TYR C C 89 176.631 176.631 175.282 1.349 18901 4734 1 8 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.307 1.322 18901 4735 1 8 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.293 0.169 18901 4736 1 8 . 1 1 89 89 TYR H H 89 8.533 8.533 8.628 -0.095 18901 4737 1 8 . 1 1 90 90 THR N N 90 115.232 115.232 113.041 2.191 18901 4738 1 8 . 1 1 90 90 THR HA H 90 3.974 3.974 4.652 -0.678 18901 4739 1 8 . 1 1 90 90 THR C C 90 176.298 176.298 175.718 0.580 18901 4740 1 8 . 1 1 90 90 THR CA C 90 65.610 65.610 62.555 3.055 18901 4741 1 8 . 1 1 90 90 THR CB C 90 68.758 68.758 70.364 -1.606 18901 4742 1 8 . 1 1 90 90 THR H H 90 8.024 8.024 9.005 -0.981 18901 4743 1 8 . 1 1 91 91 THR N N 91 112.253 112.253 114.225 -1.972 18901 4744 1 8 . 1 1 91 91 THR HA H 91 4.290 4.290 4.514 -0.224 18901 4745 1 8 . 1 1 91 91 THR C C 91 174.644 174.644 174.532 0.112 18901 4746 1 8 . 1 1 91 91 THR CA C 91 61.288 61.288 62.567 -1.279 18901 4747 1 8 . 1 1 91 91 THR CB C 91 69.418 69.418 70.215 -0.797 18901 4748 1 8 . 1 1 91 91 THR H H 91 8.013 8.013 8.132 -0.119 18901 4749 1 8 . 1 1 92 92 LYS N N 92 121.833 121.833 121.117 0.716 18901 4750 1 8 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.705 -0.246 18901 4751 1 8 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.539 0.892 18901 4752 1 8 . 1 1 92 92 LYS CB C 92 29.423 29.423 34.801 -5.378 18901 4753 1 8 . 1 1 92 92 LYS H H 92 7.883 7.883 8.076 -0.193 18901 4754 1 8 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.389 -0.178 18901 4755 1 8 . 1 1 93 93 PRO C C 93 176.775 176.775 175.361 1.414 18901 4756 1 8 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.578 0.807 18901 4757 1 8 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.870 1.343 18901 4758 1 8 . 1 1 94 94 ALA N N 94 122.487 122.487 125.306 -2.819 18901 4759 1 8 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.918 -0.053 18901 4760 1 8 . 1 1 94 94 ALA C C 94 175.790 175.790 175.193 0.597 18901 4761 1 8 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.917 0.094 18901 4762 1 8 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.633 0.207 18901 4763 1 8 . 1 1 94 94 ALA H H 94 8.072 8.072 7.664 0.408 18901 4764 1 8 . 1 1 95 95 ILE N N 95 120.526 120.526 121.273 -0.747 18901 4765 1 8 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.668 -0.377 18901 4766 1 8 . 1 1 95 95 ILE C C 95 175.063 175.063 175.804 -0.741 18901 4767 1 8 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.017 0.412 18901 4768 1 8 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.378 1.278 18901 4769 1 8 . 1 1 95 95 ILE H H 95 8.099 8.099 8.080 0.019 18901 4770 1 8 . 1 1 96 96 ILE N N 96 126.053 126.053 127.113 -1.060 18901 4771 1 8 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.306 0.648 18901 4772 1 8 . 1 1 96 96 ILE C C 96 175.609 175.609 175.713 -0.104 18901 4773 1 8 . 1 1 96 96 ILE CA C 96 60.290 60.290 61.694 -1.404 18901 4774 1 8 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.710 2.189 18901 4775 1 8 . 1 1 96 96 ILE H H 96 9.393 9.393 8.711 0.682 18901 4776 1 8 . 1 1 97 97 PHE N N 97 120.455 120.455 123.699 -3.244 18901 4777 1 8 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.746 1.271 18901 4778 1 8 . 1 1 97 97 PHE C C 97 177.044 177.044 174.634 2.410 18901 4779 1 8 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.854 -1.085 18901 4780 1 8 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.765 -0.079 18901 4781 1 8 . 1 1 97 97 PHE H H 97 8.626 8.626 8.669 -0.043 18901 4782 1 8 . 1 1 98 98 ARG N N 98 117.253 117.253 121.841 -4.588 18901 4783 1 8 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.732 0.709 18901 4784 1 8 . 1 1 98 98 ARG C C 98 176.125 176.125 174.534 1.591 18901 4785 1 8 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.938 0.025 18901 4786 1 8 . 1 1 98 98 ARG CB C 98 35.621 35.621 31.264 4.357 18901 4787 1 8 . 1 1 98 98 ARG H H 98 9.041 9.041 8.784 0.257 18901 4788 1 8 . 1 1 99 99 ILE N N 99 120.894 120.894 123.911 -3.017 18901 4789 1 8 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.269 0.750 18901 4790 1 8 . 1 1 99 99 ILE C C 99 174.486 174.486 174.095 0.391 18901 4791 1 8 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.988 -0.054 18901 4792 1 8 . 1 1 99 99 ILE CB C 99 41.415 41.415 38.740 2.675 18901 4793 1 8 . 1 1 99 99 ILE H H 99 8.499 8.499 8.115 0.384 18901 4794 1 8 . 1 1 100 100 ALA N N 100 127.368 127.368 129.226 -1.858 18901 4795 1 8 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.847 0.041 18901 4796 1 8 . 1 1 100 100 ALA C C 100 175.044 175.044 175.302 -0.258 18901 4797 1 8 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.923 0.433 18901 4798 1 8 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.099 1.491 18901 4799 1 8 . 1 1 100 100 ALA H H 100 8.779 8.779 8.736 0.043 18901 4800 1 8 . 1 1 101 101 ALA N N 101 123.472 123.472 125.843 -2.371 18901 4801 1 8 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.300 1.818 18901 4802 1 8 . 1 1 101 101 ALA C C 101 174.314 174.314 176.875 -2.561 18901 4803 1 8 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.235 -0.667 18901 4804 1 8 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.806 5.815 18901 4805 1 8 . 1 1 101 101 ALA H H 101 9.955 9.955 8.374 1.581 18901 4806 1 8 . 1 1 102 102 ARG N N 102 119.295 119.295 125.845 -6.550 18901 4807 1 8 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.781 0.810 18901 4808 1 8 . 1 1 102 102 ARG C C 102 176.649 176.649 174.335 2.314 18901 4809 1 8 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.401 -0.330 18901 4810 1 8 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.623 3.547 18901 4811 1 8 . 1 1 102 102 ARG H H 102 8.474 8.474 7.898 0.576 18901 4812 1 8 . 1 1 103 103 ASN N N 103 124.198 124.198 122.166 2.032 18901 4813 1 8 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.187 0.267 18901 4814 1 8 . 1 1 103 103 ASN C C 103 176.327 176.327 174.698 1.629 18901 4815 1 8 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.469 -0.165 18901 4816 1 8 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.649 -1.990 18901 4817 1 8 . 1 1 103 103 ASN H H 103 7.816 7.816 7.850 -0.034 18901 4818 1 8 . 1 1 104 104 GLU N N 104 115.270 115.270 117.437 -2.167 18901 4819 1 8 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.204 -0.351 18901 4820 1 8 . 1 1 104 104 GLU C C 104 177.716 177.716 176.844 0.872 18901 4821 1 8 . 1 1 104 104 GLU CA C 104 59.905 59.905 56.792 3.113 18901 4822 1 8 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.701 -0.537 18901 4823 1 8 . 1 1 104 104 GLU H H 104 9.416 9.416 8.155 1.261 18901 4824 1 8 . 1 1 105 105 LYS N N 105 116.576 116.576 120.175 -3.599 18901 4825 1 8 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.098 0.164 18901 4826 1 8 . 1 1 105 105 LYS C C 105 177.667 177.667 177.115 0.552 18901 4827 1 8 . 1 1 105 105 LYS CA C 105 57.055 57.055 57.357 -0.302 18901 4828 1 8 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.777 0.274 18901 4829 1 8 . 1 1 105 105 LYS H H 105 7.737 7.737 8.234 -0.497 18901 4830 1 8 . 1 1 106 106 GLY N N 106 104.067 104.067 104.549 -0.482 18901 4831 1 8 . 1 1 106 106 GLY C C 106 172.796 172.796 173.806 -1.010 18901 4832 1 8 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.424 1.492 18901 4833 1 8 . 1 1 106 106 GLY H H 106 7.906 7.906 8.010 -0.104 18901 4834 1 8 . 1 1 107 107 TYR N N 107 117.296 117.296 117.717 -0.421 18901 4835 1 8 . 1 1 107 107 TYR HA H 107 4.749 4.749 3.830 0.919 18901 4836 1 8 . 1 1 107 107 TYR C C 107 178.772 178.772 175.482 3.290 18901 4837 1 8 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.897 0.903 18901 4838 1 8 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.913 3.653 18901 4839 1 8 . 1 1 107 107 TYR H H 107 8.378 8.378 7.367 1.011 18901 4840 1 8 . 1 1 108 108 GLY N N 108 107.379 107.379 105.502 1.877 18901 4841 1 8 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.386 -1.124 18901 4842 1 8 . 1 1 108 108 GLY H H 108 8.651 8.651 8.396 0.255 18901 4843 1 8 . 1 1 109 109 PRO CA C 109 61.945 61.945 63.135 -1.190 18901 4844 1 8 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.765 0.106 18901 4845 1 8 . 1 1 110 110 ALA C C 110 179.404 179.404 177.157 2.247 18901 4846 1 8 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.142 -0.874 18901 4847 1 8 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.484 -1.369 18901 4848 1 8 . 1 1 111 111 THR N N 111 118.432 118.432 118.450 -0.018 18901 4849 1 8 . 1 1 111 111 THR HA H 111 4.396 4.396 4.069 0.327 18901 4850 1 8 . 1 1 111 111 THR C C 111 173.449 173.449 174.639 -1.190 18901 4851 1 8 . 1 1 111 111 THR CA C 111 61.721 61.721 63.208 -1.487 18901 4852 1 8 . 1 1 111 111 THR CB C 111 69.967 69.967 69.454 0.513 18901 4853 1 8 . 1 1 111 111 THR H H 111 8.810 8.810 8.417 0.393 18901 4854 1 8 . 1 1 112 112 GLN N N 112 127.590 127.590 127.248 0.342 18901 4855 1 8 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.302 1.035 18901 4856 1 8 . 1 1 112 112 GLN C C 112 175.442 175.442 175.128 0.314 18901 4857 1 8 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.157 -0.354 18901 4858 1 8 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.456 3.297 18901 4859 1 8 . 1 1 112 112 GLN H H 112 8.698 8.698 8.567 0.131 18901 4860 1 8 . 1 1 113 113 VAL N N 113 123.646 123.646 124.978 -1.332 18901 4861 1 8 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.161 0.413 18901 4862 1 8 . 1 1 113 113 VAL C C 113 173.891 173.891 174.915 -1.024 18901 4863 1 8 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.964 -1.680 18901 4864 1 8 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.077 2.987 18901 4865 1 8 . 1 1 113 113 VAL H H 113 9.101 9.101 8.021 1.080 18901 4866 1 8 . 1 1 114 114 ARG N N 114 122.944 122.944 123.759 -0.815 18901 4867 1 8 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.011 -0.078 18901 4868 1 8 . 1 1 114 114 ARG C C 114 175.683 175.683 175.379 0.304 18901 4869 1 8 . 1 1 114 114 ARG CA C 114 54.749 54.749 55.003 -0.254 18901 4870 1 8 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.584 -0.531 18901 4871 1 8 . 1 1 114 114 ARG H H 114 8.434 8.434 8.596 -0.162 18901 4872 1 8 . 1 1 115 115 TRP N N 115 126.067 126.067 127.922 -1.855 18901 4873 1 8 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.858 0.399 18901 4874 1 8 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.058 -1.537 18901 4875 1 8 . 1 1 115 115 TRP CB C 115 30.048 30.048 29.849 0.199 18901 4876 1 8 . 1 1 115 115 TRP H H 115 9.944 9.944 9.059 0.885 18901 4877 1 8 . 1 1 116 116 LEU N N 116 130.031 130.031 126.851 3.180 18901 4878 1 8 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.291 -0.028 18901 4879 1 8 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.604 1.093 18901 4880 1 8 . 1 1 116 116 LEU CB C 116 41.727 41.727 43.111 -1.384 18901 4881 1 8 . 1 1 116 116 LEU H H 116 8.722 8.722 8.179 0.543 18901 4882 1 8 . 1 1 117 117 GLN N N 117 124.737 124.737 116.238 8.499 18901 4883 1 8 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.928 0.120 18901 4884 1 8 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.821 0.615 18901 4885 1 8 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.970 3.698 18901 4886 1 8 . 1 1 117 117 GLN H H 117 7.453 7.453 8.571 -1.118 18901 4887 1 8 . 1 1 118 118 GLU N N 118 118.531 118.531 120.463 -1.932 18901 4888 1 8 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.080 -0.685 18901 4889 1 8 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.725 -2.043 18901 4890 1 8 . 1 1 118 118 GLU CB C 118 29.372 29.372 27.926 1.446 18901 4891 1 8 . 1 1 118 118 GLU H H 118 7.891 7.891 8.040 -0.149 18901 4892 1 8 . 1 1 119 119 THR N N 119 121.831 121.831 118.158 3.673 18901 4893 1 8 . 1 1 119 119 THR HA H 119 4.267 4.267 4.533 -0.266 18901 4894 1 8 . 1 1 119 119 THR CA C 119 55.604 55.604 61.598 -5.994 18901 4895 1 8 . 1 1 119 119 THR CB C 119 69.285 69.285 69.335 -0.050 18901 4896 1 8 . 1 1 119 119 THR H H 119 7.892 7.892 7.773 0.119 18901 4897 1 9 . 1 1 6 6 PHE N N 6 117.872 117.872 121.596 -3.724 18901 4898 1 9 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.543 0.247 18901 4899 1 9 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.496 0.530 18901 4900 1 9 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.352 -1.092 18901 4901 1 9 . 1 1 6 6 PHE H H 6 7.818 7.818 8.677 -0.859 18901 4902 1 9 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.886 -58.700 18901 4903 1 9 . 1 1 8 8 GLY N N 8 101.657 101.657 108.576 -6.919 18901 4904 1 9 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.510 -0.334 18901 4905 1 9 . 1 1 8 8 GLY H H 8 7.927 7.927 8.347 -0.420 18901 4906 1 9 . 1 1 9 9 ALA N N 9 120.767 120.767 123.047 -2.280 18901 4907 1 9 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.193 0.672 18901 4908 1 9 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.869 -1.671 18901 4909 1 9 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.563 1.374 18901 4910 1 9 . 1 1 9 9 ALA H H 9 8.235 8.235 8.270 -0.035 18901 4911 1 9 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.989 -0.632 18901 4912 1 9 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.721 0.591 18901 4913 1 9 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.329 0.482 18901 4914 1 9 . 1 1 11 11 CYS N N 11 114.905 114.905 118.311 -3.406 18901 4915 1 9 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.646 0.292 18901 4916 1 9 . 1 1 11 11 CYS C C 11 172.706 172.706 174.142 -1.436 18901 4917 1 9 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.989 -1.151 18901 4918 1 9 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.533 0.606 18901 4919 1 9 . 1 1 11 11 CYS H H 11 8.084 8.084 7.920 0.164 18901 4920 1 9 . 1 1 12 12 ALA N N 12 120.844 120.844 122.691 -1.847 18901 4921 1 9 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.020 -0.093 18901 4922 1 9 . 1 1 12 12 ALA C C 12 176.005 176.005 176.842 -0.837 18901 4923 1 9 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.036 -0.272 18901 4924 1 9 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.769 -0.173 18901 4925 1 9 . 1 1 12 12 ALA H H 12 8.535 8.535 8.511 0.024 18901 4926 1 9 . 1 1 13 13 ILE N N 13 116.800 116.800 118.689 -1.889 18901 4927 1 9 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.384 0.069 18901 4928 1 9 . 1 1 13 13 ILE C C 13 177.506 177.506 176.221 1.285 18901 4929 1 9 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.171 0.164 18901 4930 1 9 . 1 1 13 13 ILE CB C 13 37.868 37.868 37.914 -0.046 18901 4931 1 9 . 1 1 13 13 ILE H H 13 7.802 7.802 7.905 -0.103 18901 4932 1 9 . 1 1 14 14 LYS N N 14 129.030 129.030 129.333 -0.303 18901 4933 1 9 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.644 -0.047 18901 4934 1 9 . 1 1 14 14 LYS C C 14 175.508 175.508 174.758 0.750 18901 4935 1 9 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.313 0.239 18901 4936 1 9 . 1 1 14 14 LYS CB C 14 35.288 35.288 34.788 0.500 18901 4937 1 9 . 1 1 14 14 LYS H H 14 9.249 9.249 8.887 0.362 18901 4938 1 9 . 1 1 15 15 ILE N N 15 121.333 121.333 123.990 -2.657 18901 4939 1 9 . 1 1 15 15 ILE HA H 15 4.584 4.584 5.052 -0.468 18901 4940 1 9 . 1 1 15 15 ILE C C 15 175.983 175.983 175.575 0.408 18901 4941 1 9 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.352 0.456 18901 4942 1 9 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.002 -0.382 18901 4943 1 9 . 1 1 15 15 ILE H H 15 8.231 8.231 8.639 -0.408 18901 4944 1 9 . 1 1 16 16 SER N N 16 120.251 120.251 121.079 -0.828 18901 4945 1 9 . 1 1 16 16 SER HA H 16 4.933 4.933 5.192 -0.259 18901 4946 1 9 . 1 1 16 16 SER C C 16 173.725 173.725 172.974 0.751 18901 4947 1 9 . 1 1 16 16 SER CA C 16 56.656 56.656 57.106 -0.450 18901 4948 1 9 . 1 1 16 16 SER CB C 16 65.750 65.750 66.779 -1.029 18901 4949 1 9 . 1 1 16 16 SER H H 16 8.694 8.694 9.073 -0.379 18901 4950 1 9 . 1 1 17 17 LYS N N 17 124.155 124.155 121.562 2.593 18901 4951 1 9 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.614 0.046 18901 4952 1 9 . 1 1 17 17 LYS C C 17 175.815 175.815 175.745 0.070 18901 4953 1 9 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.722 0.553 18901 4954 1 9 . 1 1 17 17 LYS CB C 17 34.566 34.566 32.947 1.619 18901 4955 1 9 . 1 1 17 17 LYS H H 17 8.985 8.985 8.729 0.256 18901 4956 1 9 . 1 1 18 18 SER N N 18 121.663 121.663 118.220 3.443 18901 4957 1 9 . 1 1 18 18 SER HA H 18 5.076 5.076 4.751 0.325 18901 4958 1 9 . 1 1 18 18 SER CA C 18 56.676 56.676 56.143 0.533 18901 4959 1 9 . 1 1 18 18 SER CB C 18 64.993 64.993 64.243 0.749 18901 4960 1 9 . 1 1 18 18 SER H H 18 8.555 8.555 7.984 0.571 18901 4961 1 9 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.439 -0.105 18901 4962 1 9 . 1 1 19 19 PRO C C 19 177.406 177.406 176.125 1.281 18901 4963 1 9 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.204 1.285 18901 4964 1 9 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.921 0.144 18901 4965 1 9 . 1 1 20 20 ASP N N 20 110.573 110.573 117.553 -6.980 18901 4966 1 9 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.887 -0.208 18901 4967 1 9 . 1 1 20 20 ASP C C 20 176.667 176.667 175.863 0.804 18901 4968 1 9 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.667 -0.109 18901 4969 1 9 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.935 -0.512 18901 4970 1 9 . 1 1 20 20 ASP H H 20 8.019 8.019 8.052 -0.033 18901 4971 1 9 . 1 1 21 21 GLY N N 21 107.592 107.592 106.068 1.524 18901 4972 1 9 . 1 1 21 21 GLY C C 21 172.365 172.365 172.298 0.067 18901 4973 1 9 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.787 0.943 18901 4974 1 9 . 1 1 21 21 GLY H H 21 7.623 7.623 7.372 0.251 18901 4975 1 9 . 1 1 22 22 ALA N N 22 123.764 123.764 122.394 1.370 18901 4976 1 9 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.733 0.054 18901 4977 1 9 . 1 1 22 22 ALA C C 22 175.801 175.801 176.708 -0.907 18901 4978 1 9 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.920 -0.141 18901 4979 1 9 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.444 0.690 18901 4980 1 9 . 1 1 22 22 ALA H H 22 8.704 8.704 8.339 0.365 18901 4981 1 9 . 1 1 23 23 HIS N N 23 120.666 120.666 122.877 -2.211 18901 4982 1 9 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.335 0.646 18901 4983 1 9 . 1 1 23 23 HIS C C 23 174.199 174.199 173.745 0.454 18901 4984 1 9 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.147 -1.880 18901 4985 1 9 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.133 -0.144 18901 4986 1 9 . 1 1 23 23 HIS H H 23 9.088 9.088 8.532 0.556 18901 4987 1 9 . 1 1 24 24 LEU N N 24 127.467 127.467 127.589 -0.122 18901 4988 1 9 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.943 0.237 18901 4989 1 9 . 1 1 24 24 LEU C C 24 176.430 176.430 175.515 0.915 18901 4990 1 9 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.531 1.997 18901 4991 1 9 . 1 1 24 24 LEU CB C 24 44.957 44.957 45.038 -0.081 18901 4992 1 9 . 1 1 24 24 LEU H H 24 8.702 8.702 8.109 0.593 18901 4993 1 9 . 1 1 25 25 THR N N 25 111.459 111.459 113.039 -1.580 18901 4994 1 9 . 1 1 25 25 THR HA H 25 4.186 4.186 3.832 0.354 18901 4995 1 9 . 1 1 25 25 THR C C 25 172.720 172.720 171.578 1.142 18901 4996 1 9 . 1 1 25 25 THR CA C 25 60.798 60.798 59.217 1.581 18901 4997 1 9 . 1 1 25 25 THR CB C 25 72.021 72.021 71.314 0.707 18901 4998 1 9 . 1 1 25 25 THR H H 25 8.643 8.643 8.281 0.362 18901 4999 1 9 . 1 1 26 26 TRP N N 26 117.073 117.073 120.058 -2.985 18901 5000 1 9 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.077 -0.044 18901 5001 1 9 . 1 1 26 26 TRP C C 26 173.425 173.425 174.584 -1.159 18901 5002 1 9 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.351 0.336 18901 5003 1 9 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.314 -2.157 18901 5004 1 9 . 1 1 26 26 TRP H H 26 7.301 7.301 7.989 -0.688 18901 5005 1 9 . 1 1 27 27 GLU N N 27 115.563 115.563 118.348 -2.785 18901 5006 1 9 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.917 -0.095 18901 5007 1 9 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.690 -0.801 18901 5008 1 9 . 1 1 27 27 GLU CB C 27 30.830 30.830 33.031 -2.201 18901 5009 1 9 . 1 1 27 27 GLU H H 27 8.753 8.753 8.616 0.137 18901 5010 1 9 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.928 -0.589 18901 5011 1 9 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.684 3.863 18901 5012 1 9 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.020 1.121 18901 5013 1 9 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.695 -0.410 18901 5014 1 9 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.377 -0.397 18901 5015 1 9 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.585 0.299 18901 5016 1 9 . 1 1 30 30 SER N N 30 110.838 110.838 114.371 -3.533 18901 5017 1 9 . 1 1 30 30 SER HA H 30 3.910 3.910 4.640 -0.730 18901 5018 1 9 . 1 1 30 30 SER CA C 30 56.967 56.967 58.572 -1.605 18901 5019 1 9 . 1 1 30 30 SER CB C 30 64.771 64.771 63.745 1.026 18901 5020 1 9 . 1 1 30 30 SER H H 30 8.317 8.317 8.465 -0.148 18901 5021 1 9 . 1 1 31 31 VAL N N 31 114.209 114.209 122.424 -8.215 18901 5022 1 9 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.241 -0.033 18901 5023 1 9 . 1 1 31 31 VAL CA C 31 61.780 61.780 64.166 -2.386 18901 5024 1 9 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.637 1.135 18901 5025 1 9 . 1 1 31 31 VAL H H 31 8.320 8.320 8.141 0.179 18901 5026 1 9 . 1 1 32 32 THR N N 32 119.600 119.600 112.211 7.389 18901 5027 1 9 . 1 1 32 32 THR HA H 32 4.179 4.179 4.577 -0.398 18901 5028 1 9 . 1 1 32 32 THR CA C 32 60.465 60.465 60.790 -0.325 18901 5029 1 9 . 1 1 32 32 THR CB C 32 63.211 63.211 71.747 -8.536 18901 5030 1 9 . 1 1 32 32 THR H H 32 7.828 7.828 7.554 0.274 18901 5031 1 9 . 1 1 33 33 SER N N 33 115.967 115.967 117.372 -1.405 18901 5032 1 9 . 1 1 33 33 SER HA H 33 4.179 4.179 4.176 0.003 18901 5033 1 9 . 1 1 33 33 SER C C 33 174.332 174.332 175.249 -0.917 18901 5034 1 9 . 1 1 33 33 SER CA C 33 60.428 60.428 59.675 0.753 18901 5035 1 9 . 1 1 33 33 SER CB C 33 62.209 62.209 63.167 -0.958 18901 5036 1 9 . 1 1 33 33 SER H H 33 8.292 8.292 8.521 -0.229 18901 5037 1 9 . 1 1 34 34 GLY N N 34 106.879 106.879 109.537 -2.658 18901 5038 1 9 . 1 1 34 34 GLY C C 34 173.709 173.709 173.758 -0.049 18901 5039 1 9 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.780 -0.409 18901 5040 1 9 . 1 1 34 34 GLY H H 34 7.848 7.848 8.035 -0.187 18901 5041 1 9 . 1 1 35 35 LYS N N 35 122.205 122.205 121.324 0.881 18901 5042 1 9 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.559 -0.249 18901 5043 1 9 . 1 1 35 35 LYS C C 35 176.262 176.262 175.280 0.982 18901 5044 1 9 . 1 1 35 35 LYS CA C 35 55.671 55.671 54.900 0.771 18901 5045 1 9 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.855 1.392 18901 5046 1 9 . 1 1 35 35 LYS H H 35 8.628 8.628 8.392 0.236 18901 5047 1 9 . 1 1 36 36 ILE N N 36 120.178 120.178 121.775 -1.597 18901 5048 1 9 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.882 0.239 18901 5049 1 9 . 1 1 36 36 ILE C C 36 177.751 177.751 176.809 0.942 18901 5050 1 9 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.207 -3.286 18901 5051 1 9 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.625 -3.313 18901 5052 1 9 . 1 1 36 36 ILE H H 36 8.344 8.344 8.262 0.082 18901 5053 1 9 . 1 1 37 37 ILE N N 37 122.285 122.285 119.200 3.085 18901 5054 1 9 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.564 -0.347 18901 5055 1 9 . 1 1 37 37 ILE C C 37 176.085 176.085 175.732 0.353 18901 5056 1 9 . 1 1 37 37 ILE CA C 37 60.942 60.942 60.912 0.030 18901 5057 1 9 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.474 -0.675 18901 5058 1 9 . 1 1 37 37 ILE H H 37 8.460 8.460 8.895 -0.435 18901 5059 1 9 . 1 1 38 38 GLU N N 38 116.489 116.489 118.526 -2.037 18901 5060 1 9 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.612 -0.443 18901 5061 1 9 . 1 1 38 38 GLU C C 38 171.864 171.864 173.776 -1.912 18901 5062 1 9 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.802 0.174 18901 5063 1 9 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.185 1.295 18901 5064 1 9 . 1 1 38 38 GLU H H 38 7.143 7.143 7.772 -0.629 18901 5065 1 9 . 1 1 39 39 TYR N N 39 118.418 118.418 116.871 1.547 18901 5066 1 9 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.114 0.581 18901 5067 1 9 . 1 1 39 39 TYR C C 39 176.190 176.190 174.758 1.432 18901 5068 1 9 . 1 1 39 39 TYR CA C 39 56.911 56.911 56.979 -0.068 18901 5069 1 9 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.689 1.047 18901 5070 1 9 . 1 1 39 39 TYR H H 39 8.860 8.860 8.222 0.638 18901 5071 1 9 . 1 1 40 40 SER N N 40 111.613 111.613 113.518 -1.905 18901 5072 1 9 . 1 1 40 40 SER HA H 40 5.497 5.497 4.613 0.884 18901 5073 1 9 . 1 1 40 40 SER C C 40 172.888 172.888 171.897 0.991 18901 5074 1 9 . 1 1 40 40 SER CA C 40 58.729 58.729 56.556 2.173 18901 5075 1 9 . 1 1 40 40 SER CB C 40 69.596 69.596 67.474 2.123 18901 5076 1 9 . 1 1 40 40 SER H H 40 8.705 8.705 8.727 -0.022 18901 5077 1 9 . 1 1 41 41 VAL N N 41 119.202 119.202 122.636 -3.434 18901 5078 1 9 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.338 0.498 18901 5079 1 9 . 1 1 41 41 VAL C C 41 175.106 175.106 173.619 1.487 18901 5080 1 9 . 1 1 41 41 VAL CA C 41 60.666 60.666 60.627 0.040 18901 5081 1 9 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.668 0.023 18901 5082 1 9 . 1 1 41 41 VAL H H 41 8.428 8.428 8.146 0.282 18901 5083 1 9 . 1 1 42 42 TYR N N 42 124.792 124.792 127.664 -2.872 18901 5084 1 9 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.191 0.305 18901 5085 1 9 . 1 1 42 42 TYR C C 42 174.659 174.659 174.706 -0.047 18901 5086 1 9 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.641 -0.881 18901 5087 1 9 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.918 2.478 18901 5088 1 9 . 1 1 42 42 TYR H H 42 9.773 9.773 8.747 1.026 18901 5089 1 9 . 1 1 43 43 LEU N N 43 123.210 123.210 124.390 -1.180 18901 5090 1 9 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.856 0.397 18901 5091 1 9 . 1 1 43 43 LEU C C 43 176.296 176.296 175.446 0.850 18901 5092 1 9 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.774 0.572 18901 5093 1 9 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.480 2.069 18901 5094 1 9 . 1 1 43 43 LEU H H 43 9.368 9.368 8.959 0.409 18901 5095 1 9 . 1 1 44 44 ALA N N 44 127.556 127.556 129.701 -2.145 18901 5096 1 9 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.719 -0.395 18901 5097 1 9 . 1 1 44 44 ALA C C 44 178.318 178.318 175.996 2.322 18901 5098 1 9 . 1 1 44 44 ALA CA C 44 51.744 51.744 53.268 -1.524 18901 5099 1 9 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.371 -0.722 18901 5100 1 9 . 1 1 44 44 ALA H H 44 8.366 8.366 8.184 0.182 18901 5101 1 9 . 1 1 45 45 ILE N N 45 119.672 119.672 117.907 1.765 18901 5102 1 9 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.917 -0.174 18901 5103 1 9 . 1 1 45 45 ILE C C 45 175.937 175.937 175.678 0.259 18901 5104 1 9 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.071 1.049 18901 5105 1 9 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.887 -0.098 18901 5106 1 9 . 1 1 45 45 ILE H H 45 8.599 8.599 7.842 0.757 18901 5107 1 9 . 1 1 46 46 GLN N N 46 120.248 120.248 121.861 -1.613 18901 5108 1 9 . 1 1 46 46 GLN HA H 46 4.407 4.407 3.991 0.416 18901 5109 1 9 . 1 1 46 46 GLN C C 46 176.355 176.355 174.936 1.419 18901 5110 1 9 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.457 -1.643 18901 5111 1 9 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.006 2.833 18901 5112 1 9 . 1 1 46 46 GLN H H 46 8.207 8.207 8.470 -0.263 18901 5113 1 9 . 1 1 47 47 SER N N 47 117.541 117.541 115.170 2.371 18901 5114 1 9 . 1 1 47 47 SER HA H 47 4.445 4.445 4.508 -0.063 18901 5115 1 9 . 1 1 47 47 SER C C 47 175.100 175.100 174.207 0.893 18901 5116 1 9 . 1 1 47 47 SER CA C 47 57.957 57.957 58.606 -0.649 18901 5117 1 9 . 1 1 47 47 SER CB C 47 64.188 64.188 65.103 -0.915 18901 5118 1 9 . 1 1 47 47 SER H H 47 8.316 8.316 8.409 -0.093 18901 5119 1 9 . 1 1 48 48 SER N N 48 116.421 116.421 114.623 1.798 18901 5120 1 9 . 1 1 48 48 SER HA H 48 4.446 4.446 3.970 0.476 18901 5121 1 9 . 1 1 48 48 SER CA C 48 58.395 58.395 59.586 -1.190 18901 5122 1 9 . 1 1 48 48 SER CB C 48 63.932 63.932 62.982 0.950 18901 5123 1 9 . 1 1 48 48 SER H H 48 8.096 8.096 8.054 0.042 18901 5124 1 9 . 1 1 49 49 GLN N N 49 120.755 120.755 117.979 2.776 18901 5125 1 9 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.500 -0.189 18901 5126 1 9 . 1 1 49 49 GLN C C 49 176.420 176.420 173.794 2.626 18901 5127 1 9 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.688 0.153 18901 5128 1 9 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.940 -1.189 18901 5129 1 9 . 1 1 49 49 GLN H H 49 8.308 8.308 7.317 0.991 18901 5130 1 9 . 1 1 50 50 ALA N N 50 124.199 124.199 127.993 -3.794 18901 5131 1 9 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.654 -0.342 18901 5132 1 9 . 1 1 50 50 ALA C C 50 178.375 178.375 175.004 3.371 18901 5133 1 9 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.897 0.723 18901 5134 1 9 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.348 -1.895 18901 5135 1 9 . 1 1 50 50 ALA H H 50 8.219 8.219 8.420 -0.201 18901 5136 1 9 . 1 1 51 51 SER N N 51 113.652 113.652 113.711 -0.059 18901 5137 1 9 . 1 1 51 51 SER HA H 51 4.307 4.307 4.652 -0.345 18901 5138 1 9 . 1 1 51 51 SER C C 51 175.739 175.739 173.568 2.171 18901 5139 1 9 . 1 1 51 51 SER CA C 51 52.695 52.695 57.779 -5.084 18901 5140 1 9 . 1 1 51 51 SER CB C 51 62.104 62.104 66.045 -3.941 18901 5141 1 9 . 1 1 51 51 SER H H 51 8.148 8.148 8.193 -0.045 18901 5142 1 9 . 1 1 52 52 GLY N N 52 109.442 109.442 111.252 -1.810 18901 5143 1 9 . 1 1 52 52 GLY C C 52 174.511 174.511 172.845 1.666 18901 5144 1 9 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.874 -0.476 18901 5145 1 9 . 1 1 52 52 GLY H H 52 8.267 8.267 8.360 -0.093 18901 5146 1 9 . 1 1 53 53 GLU N N 53 120.137 120.137 122.751 -2.614 18901 5147 1 9 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.493 0.060 18901 5148 1 9 . 1 1 53 53 GLU CA C 53 54.055 54.055 55.121 -1.066 18901 5149 1 9 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.630 0.214 18901 5150 1 9 . 1 1 53 53 GLU H H 53 7.951 7.951 8.097 -0.146 18901 5151 1 9 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.424 -0.059 18901 5152 1 9 . 1 1 54 54 PRO C C 54 177.830 177.830 176.612 1.218 18901 5153 1 9 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.547 1.163 18901 5154 1 9 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.614 0.098 18901 5155 1 9 . 1 1 55 55 LYS N N 55 119.406 119.406 121.648 -2.242 18901 5156 1 9 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.523 -0.258 18901 5157 1 9 . 1 1 55 55 LYS C C 55 177.347 177.347 176.663 0.684 18901 5158 1 9 . 1 1 55 55 LYS CA C 55 56.697 56.697 55.864 0.833 18901 5159 1 9 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.338 0.908 18901 5160 1 9 . 1 1 55 55 LYS H H 55 8.315 8.315 8.394 -0.079 18901 5161 1 9 . 1 1 56 56 SER N N 56 114.624 114.624 115.126 -0.502 18901 5162 1 9 . 1 1 56 56 SER HA H 56 4.564 4.564 4.230 0.334 18901 5163 1 9 . 1 1 56 56 SER C C 56 175.285 175.285 175.055 0.230 18901 5164 1 9 . 1 1 56 56 SER CA C 56 60.090 60.090 60.374 -0.284 18901 5165 1 9 . 1 1 56 56 SER CB C 56 63.305 63.305 63.201 0.104 18901 5166 1 9 . 1 1 56 56 SER H H 56 8.090 8.090 8.247 -0.157 18901 5167 1 9 . 1 1 57 57 SER N N 57 116.016 116.016 114.410 1.606 18901 5168 1 9 . 1 1 57 57 SER HA H 57 4.455 4.455 4.479 -0.024 18901 5169 1 9 . 1 1 57 57 SER C C 57 174.988 174.988 174.404 0.584 18901 5170 1 9 . 1 1 57 57 SER CA C 57 58.332 58.332 58.251 0.081 18901 5171 1 9 . 1 1 57 57 SER CB C 57 63.876 63.876 63.960 -0.084 18901 5172 1 9 . 1 1 57 57 SER H H 57 8.224 8.224 8.078 0.146 18901 5173 1 9 . 1 1 58 58 THR N N 58 116.090 116.090 119.035 -2.945 18901 5174 1 9 . 1 1 58 58 THR HA H 58 4.602 4.602 4.552 0.050 18901 5175 1 9 . 1 1 58 58 THR CA C 58 59.935 59.935 59.663 0.272 18901 5176 1 9 . 1 1 58 58 THR CB C 58 69.773 69.773 69.679 0.094 18901 5177 1 9 . 1 1 58 58 THR H H 58 7.939 7.939 8.065 -0.126 18901 5178 1 9 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.512 -0.231 18901 5179 1 9 . 1 1 59 59 PRO C C 59 177.272 177.272 175.914 1.358 18901 5180 1 9 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.712 -0.636 18901 5181 1 9 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.056 2.722 18901 5182 1 9 . 1 1 60 60 ALA N N 60 122.319 122.319 126.557 -4.238 18901 5183 1 9 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.215 0.004 18901 5184 1 9 . 1 1 60 60 ALA C C 60 178.277 178.277 176.588 1.689 18901 5185 1 9 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.764 0.736 18901 5186 1 9 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.997 1.462 18901 5187 1 9 . 1 1 60 60 ALA H H 60 8.156 8.156 8.247 -0.091 18901 5188 1 9 . 1 1 61 61 GLN N N 61 117.680 117.680 119.158 -1.478 18901 5189 1 9 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.446 -0.168 18901 5190 1 9 . 1 1 61 61 GLN C C 61 176.148 176.148 174.805 1.343 18901 5191 1 9 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.157 0.368 18901 5192 1 9 . 1 1 61 61 GLN CB C 61 30.044 30.044 28.613 1.431 18901 5193 1 9 . 1 1 61 61 GLN H H 61 8.016 8.016 8.006 0.010 18901 5194 1 9 . 1 1 62 62 LEU N N 62 121.805 121.805 120.276 1.529 18901 5195 1 9 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.562 -0.433 18901 5196 1 9 . 1 1 62 62 LEU C C 62 176.202 176.202 175.617 0.585 18901 5197 1 9 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.109 2.465 18901 5198 1 9 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.840 -0.550 18901 5199 1 9 . 1 1 62 62 LEU H H 62 7.968 7.968 7.600 0.368 18901 5200 1 9 . 1 1 63 63 ALA N N 63 124.947 124.947 121.518 3.429 18901 5201 1 9 . 1 1 63 63 ALA HA H 63 4.496 4.496 3.983 0.513 18901 5202 1 9 . 1 1 63 63 ALA C C 63 176.252 176.252 176.369 -0.117 18901 5203 1 9 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.227 -0.429 18901 5204 1 9 . 1 1 63 63 ALA CB C 63 20.646 20.646 19.259 1.387 18901 5205 1 9 . 1 1 63 63 ALA H H 63 8.434 8.434 7.504 0.930 18901 5206 1 9 . 1 1 64 64 PHE N N 64 117.099 117.099 111.919 5.180 18901 5207 1 9 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.397 0.687 18901 5208 1 9 . 1 1 64 64 PHE C C 64 176.403 176.403 174.890 1.513 18901 5209 1 9 . 1 1 64 64 PHE CA C 64 57.733 57.733 57.964 -0.230 18901 5210 1 9 . 1 1 64 64 PHE CB C 64 42.810 42.810 38.027 4.783 18901 5211 1 9 . 1 1 64 64 PHE H H 64 8.446 8.446 8.165 0.281 18901 5212 1 9 . 1 1 65 65 MET N N 65 120.470 120.470 118.872 1.598 18901 5213 1 9 . 1 1 65 65 MET HA H 65 4.902 4.902 5.068 -0.166 18901 5214 1 9 . 1 1 65 65 MET CA C 65 53.984 53.984 54.063 -0.079 18901 5215 1 9 . 1 1 65 65 MET CB C 65 36.825 36.825 37.117 -0.292 18901 5216 1 9 . 1 1 65 65 MET H H 65 9.050 9.050 9.158 -0.108 18901 5217 1 9 . 1 1 66 66 ARG N N 66 120.685 120.685 125.773 -5.088 18901 5218 1 9 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.477 -0.334 18901 5219 1 9 . 1 1 66 66 ARG C C 66 176.916 176.916 174.985 1.931 18901 5220 1 9 . 1 1 66 66 ARG CA C 66 57.962 57.962 57.358 0.604 18901 5221 1 9 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.525 2.547 18901 5222 1 9 . 1 1 66 66 ARG H H 66 7.540 7.540 8.889 -1.349 18901 5223 1 9 . 1 1 67 67 VAL N N 67 117.677 117.677 123.903 -6.226 18901 5224 1 9 . 1 1 67 67 VAL HA H 67 4.714 4.714 4.100 0.614 18901 5225 1 9 . 1 1 67 67 VAL C C 67 175.777 175.777 175.329 0.448 18901 5226 1 9 . 1 1 67 67 VAL CA C 67 60.919 60.919 62.426 -1.507 18901 5227 1 9 . 1 1 67 67 VAL CB C 67 33.414 33.414 33.018 0.396 18901 5228 1 9 . 1 1 67 67 VAL H H 67 8.859 8.859 8.601 0.258 18901 5229 1 9 . 1 1 68 68 TYR N N 68 120.707 120.707 121.353 -0.646 18901 5230 1 9 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.285 0.492 18901 5231 1 9 . 1 1 68 68 TYR C C 68 173.712 173.712 175.936 -2.224 18901 5232 1 9 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.828 -1.523 18901 5233 1 9 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.636 4.420 18901 5234 1 9 . 1 1 68 68 TYR H H 68 7.539 7.539 7.664 -0.125 18901 5235 1 9 . 1 1 69 69 CYS N N 69 127.927 127.927 124.043 3.884 18901 5236 1 9 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.715 0.354 18901 5237 1 9 . 1 1 69 69 CYS C C 69 174.094 174.094 173.686 0.408 18901 5238 1 9 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.658 -0.468 18901 5239 1 9 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.335 -1.345 18901 5240 1 9 . 1 1 69 69 CYS H H 69 7.601 7.601 7.990 -0.389 18901 5241 1 9 . 1 1 70 70 GLY N N 70 114.822 114.822 110.142 4.680 18901 5242 1 9 . 1 1 70 70 GLY CA C 70 46.146 46.146 42.718 3.428 18901 5243 1 9 . 1 1 70 70 GLY H H 70 8.336 8.336 7.068 1.268 18901 5244 1 9 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.578 -0.030 18901 5245 1 9 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.157 0.507 18901 5246 1 9 . 1 1 72 72 SER N N 72 112.451 112.451 116.060 -3.609 18901 5247 1 9 . 1 1 72 72 SER HA H 72 4.850 4.850 4.568 0.282 18901 5248 1 9 . 1 1 72 72 SER CA C 72 56.874 56.874 56.641 0.233 18901 5249 1 9 . 1 1 72 72 SER CB C 72 63.248 63.248 62.635 0.613 18901 5250 1 9 . 1 1 72 72 SER H H 72 7.327 7.327 7.918 -0.591 18901 5251 1 9 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.793 -0.600 18901 5252 1 9 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.573 -0.018 18901 5253 1 9 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.317 -0.081 18901 5254 1 9 . 1 1 74 74 SER N N 74 111.450 111.450 112.122 -0.672 18901 5255 1 9 . 1 1 74 74 SER HA H 74 3.907 3.907 4.141 -0.234 18901 5256 1 9 . 1 1 74 74 SER CA C 74 56.710 56.710 57.001 -0.291 18901 5257 1 9 . 1 1 74 74 SER CB C 74 64.647 64.647 61.831 2.817 18901 5258 1 9 . 1 1 74 74 SER H H 74 6.909 6.909 7.719 -0.810 18901 5259 1 9 . 1 1 75 75 CYS N N 75 124.103 124.103 122.074 2.029 18901 5260 1 9 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.152 -0.593 18901 5261 1 9 . 1 1 75 75 CYS C C 75 171.568 171.568 174.674 -3.106 18901 5262 1 9 . 1 1 75 75 CYS CA C 75 62.200 62.200 60.321 1.879 18901 5263 1 9 . 1 1 75 75 CYS CB C 75 26.251 26.251 27.616 -1.365 18901 5264 1 9 . 1 1 75 75 CYS H H 75 6.017 6.017 8.237 -2.220 18901 5265 1 9 . 1 1 76 76 LEU N N 76 121.191 121.191 129.719 -8.528 18901 5266 1 9 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.321 0.502 18901 5267 1 9 . 1 1 76 76 LEU C C 76 176.786 176.786 176.043 0.743 18901 5268 1 9 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.508 -1.143 18901 5269 1 9 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.959 1.267 18901 5270 1 9 . 1 1 76 76 LEU H H 76 8.015 8.015 7.999 0.016 18901 5271 1 9 . 1 1 77 77 VAL N N 77 126.347 126.347 128.086 -1.739 18901 5272 1 9 . 1 1 77 77 VAL HA H 77 4.252 4.252 3.995 0.257 18901 5273 1 9 . 1 1 77 77 VAL C C 77 175.529 175.529 174.950 0.579 18901 5274 1 9 . 1 1 77 77 VAL CA C 77 61.651 61.651 62.735 -1.084 18901 5275 1 9 . 1 1 77 77 VAL CB C 77 32.676 32.676 31.302 1.374 18901 5276 1 9 . 1 1 77 77 VAL H H 77 9.084 9.084 8.890 0.194 18901 5277 1 9 . 1 1 78 78 GLN N N 78 124.566 124.566 125.967 -1.401 18901 5278 1 9 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.365 0.150 18901 5279 1 9 . 1 1 78 78 GLN C C 78 178.805 178.805 177.117 1.688 18901 5280 1 9 . 1 1 78 78 GLN CA C 78 56.916 56.916 55.631 1.285 18901 5281 1 9 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.538 0.860 18901 5282 1 9 . 1 1 78 78 GLN H H 78 8.908 8.908 8.128 0.780 18901 5283 1 9 . 1 1 79 79 SER N N 79 116.974 116.974 117.708 -0.734 18901 5284 1 9 . 1 1 79 79 SER HA H 79 4.087 4.087 4.088 -0.001 18901 5285 1 9 . 1 1 79 79 SER C C 79 177.179 177.179 176.235 0.944 18901 5286 1 9 . 1 1 79 79 SER CA C 79 62.454 62.454 61.409 1.045 18901 5287 1 9 . 1 1 79 79 SER CB C 79 62.787 62.787 62.856 -0.069 18901 5288 1 9 . 1 1 79 79 SER H H 79 8.458 8.458 9.158 -0.700 18901 5289 1 9 . 1 1 80 80 SER N N 80 114.734 114.734 116.074 -1.340 18901 5290 1 9 . 1 1 80 80 SER HA H 80 4.211 4.211 4.227 -0.016 18901 5291 1 9 . 1 1 80 80 SER C C 80 177.853 177.853 175.667 2.186 18901 5292 1 9 . 1 1 80 80 SER CA C 80 61.190 61.190 60.746 0.444 18901 5293 1 9 . 1 1 80 80 SER CB C 80 62.358 62.358 62.991 -0.633 18901 5294 1 9 . 1 1 80 80 SER H H 80 8.537 8.537 8.695 -0.158 18901 5295 1 9 . 1 1 81 81 SER N N 81 117.137 117.137 116.944 0.193 18901 5296 1 9 . 1 1 81 81 SER HA H 81 4.455 4.455 4.409 0.046 18901 5297 1 9 . 1 1 81 81 SER C C 81 175.702 175.702 176.365 -0.663 18901 5298 1 9 . 1 1 81 81 SER CA C 81 61.433 61.433 61.141 0.292 18901 5299 1 9 . 1 1 81 81 SER CB C 81 63.130 63.130 63.265 -0.135 18901 5300 1 9 . 1 1 81 81 SER H H 81 7.514 7.514 7.772 -0.258 18901 5301 1 9 . 1 1 82 82 LEU N N 82 117.548 117.548 123.346 -5.798 18901 5302 1 9 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.101 -0.068 18901 5303 1 9 . 1 1 82 82 LEU C C 82 179.445 179.445 178.949 0.496 18901 5304 1 9 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.803 -1.101 18901 5305 1 9 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.377 0.411 18901 5306 1 9 . 1 1 82 82 LEU H H 82 7.629 7.629 7.622 0.007 18901 5307 1 9 . 1 1 83 83 SER N N 83 113.258 113.258 115.181 -1.923 18901 5308 1 9 . 1 1 83 83 SER HA H 83 4.214 4.214 4.306 -0.092 18901 5309 1 9 . 1 1 83 83 SER C C 83 175.256 175.256 175.227 0.029 18901 5310 1 9 . 1 1 83 83 SER CA C 83 61.192 61.192 61.140 0.052 18901 5311 1 9 . 1 1 83 83 SER CB C 83 63.544 63.544 62.819 0.725 18901 5312 1 9 . 1 1 83 83 SER H H 83 7.805 7.805 8.535 -0.730 18901 5313 1 9 . 1 1 84 84 ASN N N 84 116.565 116.565 117.283 -0.718 18901 5314 1 9 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.977 -0.055 18901 5315 1 9 . 1 1 84 84 ASN C C 84 175.063 175.063 173.603 1.460 18901 5316 1 9 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.384 -0.712 18901 5317 1 9 . 1 1 84 84 ASN CB C 84 39.691 39.691 40.616 -0.925 18901 5318 1 9 . 1 1 84 84 ASN H H 84 7.612 7.612 8.088 -0.476 18901 5319 1 9 . 1 1 85 85 ALA N N 85 119.819 119.819 123.007 -3.188 18901 5320 1 9 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.671 -0.422 18901 5321 1 9 . 1 1 85 85 ALA C C 85 178.113 178.113 176.799 1.314 18901 5322 1 9 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.132 0.933 18901 5323 1 9 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.897 -0.077 18901 5324 1 9 . 1 1 85 85 ALA H H 85 7.558 7.558 7.485 0.073 18901 5325 1 9 . 1 1 86 86 HIS N N 86 118.388 118.388 119.087 -0.699 18901 5326 1 9 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.778 -0.373 18901 5327 1 9 . 1 1 86 86 HIS C C 86 175.333 175.333 174.156 1.177 18901 5328 1 9 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.364 0.255 18901 5329 1 9 . 1 1 86 86 HIS CB C 86 29.198 29.198 34.134 -4.936 18901 5330 1 9 . 1 1 86 86 HIS H H 86 8.280 8.280 8.232 0.048 18901 5331 1 9 . 1 1 87 87 ILE N N 87 126.618 126.618 121.676 4.942 18901 5332 1 9 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.279 -0.224 18901 5333 1 9 . 1 1 87 87 ILE C C 87 174.718 174.718 176.519 -1.801 18901 5334 1 9 . 1 1 87 87 ILE CA C 87 59.427 59.427 60.581 -1.154 18901 5335 1 9 . 1 1 87 87 ILE CB C 87 37.442 37.442 39.179 -1.738 18901 5336 1 9 . 1 1 87 87 ILE H H 87 7.873 7.873 8.435 -0.562 18901 5337 1 9 . 1 1 88 88 ASP N N 88 124.684 124.684 127.695 -3.011 18901 5338 1 9 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.714 -0.202 18901 5339 1 9 . 1 1 88 88 ASP C C 88 176.506 176.506 176.592 -0.086 18901 5340 1 9 . 1 1 88 88 ASP CA C 88 53.237 53.237 53.703 -0.466 18901 5341 1 9 . 1 1 88 88 ASP CB C 88 43.761 43.761 39.762 3.999 18901 5342 1 9 . 1 1 88 88 ASP H H 88 8.572 8.572 8.914 -0.342 18901 5343 1 9 . 1 1 89 89 TYR N N 89 122.959 122.959 123.377 -0.418 18901 5344 1 9 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.488 -0.109 18901 5345 1 9 . 1 1 89 89 TYR C C 89 176.631 176.631 176.929 -0.298 18901 5346 1 9 . 1 1 89 89 TYR CA C 89 58.629 58.629 58.118 0.511 18901 5347 1 9 . 1 1 89 89 TYR CB C 89 38.462 38.462 37.265 1.197 18901 5348 1 9 . 1 1 89 89 TYR H H 89 8.533 8.533 8.601 -0.068 18901 5349 1 9 . 1 1 90 90 THR N N 90 115.232 115.232 113.457 1.775 18901 5350 1 9 . 1 1 90 90 THR HA H 90 3.974 3.974 4.291 -0.317 18901 5351 1 9 . 1 1 90 90 THR C C 90 176.298 176.298 174.826 1.472 18901 5352 1 9 . 1 1 90 90 THR CA C 90 65.610 65.610 63.799 1.811 18901 5353 1 9 . 1 1 90 90 THR CB C 90 68.758 68.758 69.260 -0.502 18901 5354 1 9 . 1 1 90 90 THR H H 90 8.024 8.024 8.235 -0.211 18901 5355 1 9 . 1 1 91 91 THR N N 91 112.253 112.253 114.282 -2.029 18901 5356 1 9 . 1 1 91 91 THR HA H 91 4.290 4.290 4.421 -0.131 18901 5357 1 9 . 1 1 91 91 THR C C 91 174.644 174.644 173.086 1.558 18901 5358 1 9 . 1 1 91 91 THR CA C 91 61.288 61.288 62.097 -0.809 18901 5359 1 9 . 1 1 91 91 THR CB C 91 69.418 69.418 69.944 -0.525 18901 5360 1 9 . 1 1 91 91 THR H H 91 8.013 8.013 8.182 -0.169 18901 5361 1 9 . 1 1 92 92 LYS N N 92 121.833 121.833 120.757 1.076 18901 5362 1 9 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.809 -0.350 18901 5363 1 9 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.008 1.424 18901 5364 1 9 . 1 1 92 92 LYS CB C 92 29.423 29.423 33.862 -4.439 18901 5365 1 9 . 1 1 92 92 LYS H H 92 7.883 7.883 8.111 -0.228 18901 5366 1 9 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.575 -0.364 18901 5367 1 9 . 1 1 93 93 PRO C C 93 176.775 176.775 175.089 1.686 18901 5368 1 9 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.958 0.427 18901 5369 1 9 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.077 2.137 18901 5370 1 9 . 1 1 94 94 ALA N N 94 122.487 122.487 124.478 -1.991 18901 5371 1 9 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.043 -0.178 18901 5372 1 9 . 1 1 94 94 ALA C C 94 175.790 175.790 176.746 -0.956 18901 5373 1 9 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.214 0.797 18901 5374 1 9 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.975 -0.135 18901 5375 1 9 . 1 1 94 94 ALA H H 94 8.072 8.072 8.000 0.072 18901 5376 1 9 . 1 1 95 95 ILE N N 95 120.526 120.526 121.910 -1.384 18901 5377 1 9 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.408 -0.117 18901 5378 1 9 . 1 1 95 95 ILE C C 95 175.063 175.063 175.770 -0.707 18901 5379 1 9 . 1 1 95 95 ILE CA C 95 60.430 60.430 63.084 -2.654 18901 5380 1 9 . 1 1 95 95 ILE CB C 95 40.656 40.656 38.458 2.198 18901 5381 1 9 . 1 1 95 95 ILE H H 95 8.099 8.099 8.108 -0.009 18901 5382 1 9 . 1 1 96 96 ILE N N 96 126.053 126.053 114.402 11.651 18901 5383 1 9 . 1 1 96 96 ILE HA H 96 4.954 4.954 3.820 1.134 18901 5384 1 9 . 1 1 96 96 ILE C C 96 175.609 175.609 174.272 1.337 18901 5385 1 9 . 1 1 96 96 ILE CA C 96 60.290 60.290 61.750 -1.460 18901 5386 1 9 . 1 1 96 96 ILE CB C 96 39.899 39.899 36.121 3.778 18901 5387 1 9 . 1 1 96 96 ILE H H 96 9.393 9.393 7.484 1.909 18901 5388 1 9 . 1 1 97 97 PHE N N 97 120.455 120.455 124.331 -3.876 18901 5389 1 9 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.108 0.909 18901 5390 1 9 . 1 1 97 97 PHE C C 97 177.044 177.044 174.604 2.440 18901 5391 1 9 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.798 -1.029 18901 5392 1 9 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.622 0.064 18901 5393 1 9 . 1 1 97 97 PHE H H 97 8.626 8.626 8.171 0.455 18901 5394 1 9 . 1 1 98 98 ARG N N 98 117.253 117.253 123.436 -6.183 18901 5395 1 9 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.112 0.329 18901 5396 1 9 . 1 1 98 98 ARG C C 98 176.125 176.125 175.040 1.085 18901 5397 1 9 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.080 -0.117 18901 5398 1 9 . 1 1 98 98 ARG CB C 98 35.621 35.621 32.279 3.342 18901 5399 1 9 . 1 1 98 98 ARG H H 98 9.041 9.041 8.645 0.396 18901 5400 1 9 . 1 1 99 99 ILE N N 99 120.894 120.894 122.779 -1.885 18901 5401 1 9 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.656 0.363 18901 5402 1 9 . 1 1 99 99 ILE C C 99 174.486 174.486 174.700 -0.214 18901 5403 1 9 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.508 0.426 18901 5404 1 9 . 1 1 99 99 ILE CB C 99 41.415 41.415 39.250 2.165 18901 5405 1 9 . 1 1 99 99 ILE H H 99 8.499 8.499 8.082 0.417 18901 5406 1 9 . 1 1 100 100 ALA N N 100 127.368 127.368 124.642 2.726 18901 5407 1 9 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.816 0.072 18901 5408 1 9 . 1 1 100 100 ALA C C 100 175.044 175.044 174.971 0.073 18901 5409 1 9 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.788 0.568 18901 5410 1 9 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.268 1.322 18901 5411 1 9 . 1 1 100 100 ALA H H 100 8.779 8.779 8.809 -0.030 18901 5412 1 9 . 1 1 101 101 ALA N N 101 123.472 123.472 123.287 0.185 18901 5413 1 9 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.159 1.959 18901 5414 1 9 . 1 1 101 101 ALA C C 101 174.314 174.314 177.047 -2.733 18901 5415 1 9 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.218 -0.650 18901 5416 1 9 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.924 5.697 18901 5417 1 9 . 1 1 101 101 ALA H H 101 9.955 9.955 8.644 1.311 18901 5418 1 9 . 1 1 102 102 ARG N N 102 119.295 119.295 126.164 -6.869 18901 5419 1 9 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.000 0.591 18901 5420 1 9 . 1 1 102 102 ARG C C 102 176.649 176.649 174.459 2.190 18901 5421 1 9 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.835 -0.764 18901 5422 1 9 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.087 4.083 18901 5423 1 9 . 1 1 102 102 ARG H H 102 8.474 8.474 7.734 0.740 18901 5424 1 9 . 1 1 103 103 ASN N N 103 124.198 124.198 122.102 2.096 18901 5425 1 9 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.149 0.305 18901 5426 1 9 . 1 1 103 103 ASN C C 103 176.327 176.327 175.329 0.998 18901 5427 1 9 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.103 0.201 18901 5428 1 9 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.562 -0.903 18901 5429 1 9 . 1 1 103 103 ASN H H 103 7.816 7.816 7.821 -0.005 18901 5430 1 9 . 1 1 104 104 GLU N N 104 115.270 115.270 117.475 -2.205 18901 5431 1 9 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.068 -0.215 18901 5432 1 9 . 1 1 104 104 GLU C C 104 177.716 177.716 177.573 0.143 18901 5433 1 9 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.042 1.863 18901 5434 1 9 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.484 -0.320 18901 5435 1 9 . 1 1 104 104 GLU H H 104 9.416 9.416 8.225 1.191 18901 5436 1 9 . 1 1 105 105 LYS N N 105 116.576 116.576 118.203 -1.627 18901 5437 1 9 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.371 -0.109 18901 5438 1 9 . 1 1 105 105 LYS C C 105 177.667 177.667 176.925 0.742 18901 5439 1 9 . 1 1 105 105 LYS CA C 105 57.055 57.055 55.290 1.765 18901 5440 1 9 . 1 1 105 105 LYS CB C 105 33.051 33.051 33.351 -0.300 18901 5441 1 9 . 1 1 105 105 LYS H H 105 7.737 7.737 8.200 -0.463 18901 5442 1 9 . 1 1 106 106 GLY N N 106 104.067 104.067 107.149 -3.082 18901 5443 1 9 . 1 1 106 106 GLY C C 106 172.796 172.796 173.886 -1.090 18901 5444 1 9 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.282 1.634 18901 5445 1 9 . 1 1 106 106 GLY H H 106 7.906 7.906 8.091 -0.185 18901 5446 1 9 . 1 1 107 107 TYR N N 107 117.296 117.296 122.102 -4.806 18901 5447 1 9 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.468 0.281 18901 5448 1 9 . 1 1 107 107 TYR C C 107 178.772 178.772 176.324 2.448 18901 5449 1 9 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.038 1.762 18901 5450 1 9 . 1 1 107 107 TYR CB C 107 40.566 40.566 35.784 4.782 18901 5451 1 9 . 1 1 107 107 TYR H H 107 8.378 8.378 8.145 0.233 18901 5452 1 9 . 1 1 108 108 GLY N N 108 107.379 107.379 111.064 -3.685 18901 5453 1 9 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.115 -0.853 18901 5454 1 9 . 1 1 108 108 GLY H H 108 8.651 8.651 8.283 0.368 18901 5455 1 9 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.447 -0.502 18901 5456 1 9 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.995 -0.124 18901 5457 1 9 . 1 1 110 110 ALA C C 110 179.404 179.404 176.447 2.957 18901 5458 1 9 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.722 -0.454 18901 5459 1 9 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.105 -1.990 18901 5460 1 9 . 1 1 111 111 THR N N 111 118.432 118.432 114.013 4.419 18901 5461 1 9 . 1 1 111 111 THR HA H 111 4.396 4.396 4.518 -0.122 18901 5462 1 9 . 1 1 111 111 THR C C 111 173.449 173.449 173.036 0.413 18901 5463 1 9 . 1 1 111 111 THR CA C 111 61.721 61.721 61.037 0.684 18901 5464 1 9 . 1 1 111 111 THR CB C 111 69.967 69.967 69.814 0.153 18901 5465 1 9 . 1 1 111 111 THR H H 111 8.810 8.810 8.454 0.356 18901 5466 1 9 . 1 1 112 112 GLN N N 112 127.590 127.590 126.746 0.844 18901 5467 1 9 . 1 1 112 112 GLN HA H 112 5.337 5.337 5.027 0.310 18901 5468 1 9 . 1 1 112 112 GLN C C 112 175.442 175.442 174.072 1.370 18901 5469 1 9 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.816 -0.013 18901 5470 1 9 . 1 1 112 112 GLN CB C 112 31.753 31.753 30.738 1.015 18901 5471 1 9 . 1 1 112 112 GLN H H 112 8.698 8.698 8.656 0.042 18901 5472 1 9 . 1 1 113 113 VAL N N 113 123.646 123.646 125.151 -1.505 18901 5473 1 9 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.386 0.188 18901 5474 1 9 . 1 1 113 113 VAL C C 113 173.891 173.891 174.317 -0.426 18901 5475 1 9 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.084 -0.800 18901 5476 1 9 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.094 0.970 18901 5477 1 9 . 1 1 113 113 VAL H H 113 9.101 9.101 9.018 0.083 18901 5478 1 9 . 1 1 114 114 ARG N N 114 122.944 122.944 120.800 2.144 18901 5479 1 9 . 1 1 114 114 ARG HA H 114 4.933 4.933 4.693 0.240 18901 5480 1 9 . 1 1 114 114 ARG C C 114 175.683 175.683 174.556 1.127 18901 5481 1 9 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.896 -0.147 18901 5482 1 9 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.345 0.708 18901 5483 1 9 . 1 1 114 114 ARG H H 114 8.434 8.434 8.599 -0.165 18901 5484 1 9 . 1 1 115 115 TRP N N 115 126.067 126.067 128.516 -2.449 18901 5485 1 9 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.903 0.354 18901 5486 1 9 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.614 -1.093 18901 5487 1 9 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.635 1.413 18901 5488 1 9 . 1 1 115 115 TRP H H 115 9.944 9.944 8.859 1.085 18901 5489 1 9 . 1 1 116 116 LEU N N 116 130.031 130.031 124.264 5.767 18901 5490 1 9 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.380 -0.117 18901 5491 1 9 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.894 0.803 18901 5492 1 9 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.693 -0.966 18901 5493 1 9 . 1 1 116 116 LEU H H 116 8.722 8.722 7.646 1.076 18901 5494 1 9 . 1 1 117 117 GLN N N 117 124.737 124.737 115.832 8.905 18901 5495 1 9 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.950 0.098 18901 5496 1 9 . 1 1 117 117 GLN CA C 117 57.436 57.436 57.185 0.251 18901 5497 1 9 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.572 3.096 18901 5498 1 9 . 1 1 117 117 GLN H H 117 7.453 7.453 8.579 -1.126 18901 5499 1 9 . 1 1 118 118 GLU N N 118 118.531 118.531 119.359 -0.828 18901 5500 1 9 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.988 -0.593 18901 5501 1 9 . 1 1 118 118 GLU CA C 118 54.682 54.682 57.030 -2.348 18901 5502 1 9 . 1 1 118 118 GLU CB C 118 29.372 29.372 30.195 -0.824 18901 5503 1 9 . 1 1 118 118 GLU H H 118 7.891 7.891 7.870 0.021 18901 5504 1 9 . 1 1 119 119 THR N N 119 121.831 121.831 113.899 7.932 18901 5505 1 9 . 1 1 119 119 THR HA H 119 4.267 4.267 4.550 -0.283 18901 5506 1 9 . 1 1 119 119 THR CA C 119 55.604 55.604 60.856 -5.252 18901 5507 1 9 . 1 1 119 119 THR CB C 119 69.285 69.285 70.402 -1.117 18901 5508 1 9 . 1 1 119 119 THR H H 119 7.892 7.892 8.034 -0.142 18901 5509 1 10 . 1 1 6 6 PHE N N 6 117.872 117.872 119.897 -2.025 18901 5510 1 10 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.851 -0.061 18901 5511 1 10 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.536 2.490 18901 5512 1 10 . 1 1 6 6 PHE CB C 6 38.260 38.260 37.380 0.880 18901 5513 1 10 . 1 1 6 6 PHE H H 6 7.818 7.818 8.208 -0.390 18901 5514 1 10 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.814 -58.628 18901 5515 1 10 . 1 1 8 8 GLY N N 8 101.657 101.657 110.107 -8.450 18901 5516 1 10 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.900 -0.724 18901 5517 1 10 . 1 1 8 8 GLY H H 8 7.927 7.927 8.187 -0.260 18901 5518 1 10 . 1 1 9 9 ALA N N 9 120.767 120.767 121.289 -0.522 18901 5519 1 10 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.221 0.644 18901 5520 1 10 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.785 -1.587 18901 5521 1 10 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.638 1.299 18901 5522 1 10 . 1 1 9 9 ALA H H 9 8.235 8.235 8.246 -0.011 18901 5523 1 10 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.909 -0.552 18901 5524 1 10 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.938 0.374 18901 5525 1 10 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.241 0.570 18901 5526 1 10 . 1 1 11 11 CYS N N 11 114.905 114.905 116.975 -2.070 18901 5527 1 10 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.907 0.031 18901 5528 1 10 . 1 1 11 11 CYS C C 11 172.706 172.706 175.081 -2.375 18901 5529 1 10 . 1 1 11 11 CYS CA C 11 56.838 56.838 56.721 0.117 18901 5530 1 10 . 1 1 11 11 CYS CB C 11 32.139 32.139 30.630 1.509 18901 5531 1 10 . 1 1 11 11 CYS H H 11 8.084 8.084 8.756 -0.672 18901 5532 1 10 . 1 1 12 12 ALA N N 12 120.844 120.844 121.499 -0.655 18901 5533 1 10 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.938 -0.011 18901 5534 1 10 . 1 1 12 12 ALA C C 12 176.005 176.005 176.663 -0.658 18901 5535 1 10 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.636 -0.872 18901 5536 1 10 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.298 0.298 18901 5537 1 10 . 1 1 12 12 ALA H H 12 8.535 8.535 8.690 -0.155 18901 5538 1 10 . 1 1 13 13 ILE N N 13 116.800 116.800 118.238 -1.438 18901 5539 1 10 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.192 0.261 18901 5540 1 10 . 1 1 13 13 ILE C C 13 177.506 177.506 176.626 0.880 18901 5541 1 10 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.658 -0.323 18901 5542 1 10 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.015 -0.147 18901 5543 1 10 . 1 1 13 13 ILE H H 13 7.802 7.802 7.660 0.142 18901 5544 1 10 . 1 1 14 14 LYS N N 14 129.030 129.030 128.817 0.213 18901 5545 1 10 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.665 -0.068 18901 5546 1 10 . 1 1 14 14 LYS C C 14 175.508 175.508 174.719 0.789 18901 5547 1 10 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.652 0.900 18901 5548 1 10 . 1 1 14 14 LYS CB C 14 35.288 35.288 34.265 1.023 18901 5549 1 10 . 1 1 14 14 LYS H H 14 9.249 9.249 8.392 0.857 18901 5550 1 10 . 1 1 15 15 ILE N N 15 121.333 121.333 125.653 -4.320 18901 5551 1 10 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.641 -0.057 18901 5552 1 10 . 1 1 15 15 ILE C C 15 175.983 175.983 175.630 0.353 18901 5553 1 10 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.414 0.394 18901 5554 1 10 . 1 1 15 15 ILE CB C 15 40.620 40.620 39.135 1.485 18901 5555 1 10 . 1 1 15 15 ILE H H 15 8.231 8.231 8.747 -0.516 18901 5556 1 10 . 1 1 16 16 SER N N 16 120.251 120.251 122.711 -2.460 18901 5557 1 10 . 1 1 16 16 SER HA H 16 4.933 4.933 4.870 0.063 18901 5558 1 10 . 1 1 16 16 SER C C 16 173.725 173.725 173.987 -0.262 18901 5559 1 10 . 1 1 16 16 SER CA C 16 56.656 56.656 57.370 -0.714 18901 5560 1 10 . 1 1 16 16 SER CB C 16 65.750 65.750 64.566 1.184 18901 5561 1 10 . 1 1 16 16 SER H H 16 8.694 8.694 8.239 0.455 18901 5562 1 10 . 1 1 17 17 LYS N N 17 124.155 124.155 125.644 -1.489 18901 5563 1 10 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.519 0.141 18901 5564 1 10 . 1 1 17 17 LYS C C 17 175.815 175.815 176.580 -0.765 18901 5565 1 10 . 1 1 17 17 LYS CA C 17 57.275 57.275 58.165 -0.890 18901 5566 1 10 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.421 1.145 18901 5567 1 10 . 1 1 17 17 LYS H H 17 8.985 8.985 8.923 0.062 18901 5568 1 10 . 1 1 18 18 SER N N 18 121.663 121.663 116.374 5.289 18901 5569 1 10 . 1 1 18 18 SER HA H 18 5.076 5.076 5.023 0.053 18901 5570 1 10 . 1 1 18 18 SER CA C 18 56.676 56.676 56.788 -0.112 18901 5571 1 10 . 1 1 18 18 SER CB C 18 64.993 64.993 64.344 0.649 18901 5572 1 10 . 1 1 18 18 SER H H 18 8.555 8.555 8.681 -0.126 18901 5573 1 10 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.391 -0.057 18901 5574 1 10 . 1 1 19 19 PRO C C 19 177.406 177.406 176.920 0.486 18901 5575 1 10 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.067 0.422 18901 5576 1 10 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.834 0.230 18901 5577 1 10 . 1 1 20 20 ASP N N 20 110.573 110.573 117.232 -6.659 18901 5578 1 10 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.896 -0.217 18901 5579 1 10 . 1 1 20 20 ASP C C 20 176.667 176.667 175.768 0.899 18901 5580 1 10 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.697 -0.139 18901 5581 1 10 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.512 -0.089 18901 5582 1 10 . 1 1 20 20 ASP H H 20 8.019 8.019 8.554 -0.535 18901 5583 1 10 . 1 1 21 21 GLY N N 21 107.592 107.592 106.855 0.737 18901 5584 1 10 . 1 1 21 21 GLY C C 21 172.365 172.365 171.716 0.649 18901 5585 1 10 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.791 -0.061 18901 5586 1 10 . 1 1 21 21 GLY H H 21 7.623 7.623 7.468 0.155 18901 5587 1 10 . 1 1 22 22 ALA N N 22 123.764 123.764 121.739 2.025 18901 5588 1 10 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.255 -0.468 18901 5589 1 10 . 1 1 22 22 ALA C C 22 175.801 175.801 175.239 0.562 18901 5590 1 10 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.754 0.025 18901 5591 1 10 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.856 -0.722 18901 5592 1 10 . 1 1 22 22 ALA H H 22 8.704 8.704 8.032 0.672 18901 5593 1 10 . 1 1 23 23 HIS N N 23 120.666 120.666 119.989 0.677 18901 5594 1 10 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.468 0.513 18901 5595 1 10 . 1 1 23 23 HIS C C 23 174.199 174.199 174.385 -0.186 18901 5596 1 10 . 1 1 23 23 HIS CA C 23 54.267 54.267 57.741 -3.474 18901 5597 1 10 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.242 -1.253 18901 5598 1 10 . 1 1 23 23 HIS H H 23 9.088 9.088 8.473 0.615 18901 5599 1 10 . 1 1 24 24 LEU N N 24 127.467 127.467 122.063 5.404 18901 5600 1 10 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.826 0.354 18901 5601 1 10 . 1 1 24 24 LEU C C 24 176.430 176.430 174.732 1.698 18901 5602 1 10 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.619 0.909 18901 5603 1 10 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.402 0.555 18901 5604 1 10 . 1 1 24 24 LEU H H 24 8.702 8.702 8.361 0.341 18901 5605 1 10 . 1 1 25 25 THR N N 25 111.459 111.459 113.773 -2.314 18901 5606 1 10 . 1 1 25 25 THR HA H 25 4.186 4.186 4.033 0.153 18901 5607 1 10 . 1 1 25 25 THR C C 25 172.720 172.720 172.281 0.439 18901 5608 1 10 . 1 1 25 25 THR CA C 25 60.798 60.798 59.847 0.951 18901 5609 1 10 . 1 1 25 25 THR CB C 25 72.021 72.021 71.074 0.947 18901 5610 1 10 . 1 1 25 25 THR H H 25 8.643 8.643 8.499 0.144 18901 5611 1 10 . 1 1 26 26 TRP N N 26 117.073 117.073 118.900 -1.827 18901 5612 1 10 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.356 -0.323 18901 5613 1 10 . 1 1 26 26 TRP C C 26 173.425 173.425 174.854 -1.429 18901 5614 1 10 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.233 1.454 18901 5615 1 10 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.790 -1.633 18901 5616 1 10 . 1 1 26 26 TRP H H 26 7.301 7.301 7.840 -0.539 18901 5617 1 10 . 1 1 27 27 GLU N N 27 115.563 115.563 121.526 -5.963 18901 5618 1 10 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.741 0.081 18901 5619 1 10 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.552 -1.663 18901 5620 1 10 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.067 0.763 18901 5621 1 10 . 1 1 27 27 GLU H H 27 8.753 8.753 8.787 -0.034 18901 5622 1 10 . 1 1 28 28 PRO HA H 28 4.339 4.339 5.034 -0.695 18901 5623 1 10 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.368 4.179 18901 5624 1 10 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.194 0.947 18901 5625 1 10 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.510 -0.225 18901 5626 1 10 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.378 -1.398 18901 5627 1 10 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.504 0.380 18901 5628 1 10 . 1 1 30 30 SER N N 30 110.838 110.838 117.479 -6.641 18901 5629 1 10 . 1 1 30 30 SER HA H 30 3.910 3.910 4.617 -0.707 18901 5630 1 10 . 1 1 30 30 SER CA C 30 56.967 56.967 58.166 -1.199 18901 5631 1 10 . 1 1 30 30 SER CB C 30 64.771 64.771 63.007 1.764 18901 5632 1 10 . 1 1 30 30 SER H H 30 8.317 8.317 8.596 -0.279 18901 5633 1 10 . 1 1 31 31 VAL N N 31 114.209 114.209 119.316 -5.107 18901 5634 1 10 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.380 -0.172 18901 5635 1 10 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.631 -0.851 18901 5636 1 10 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.813 -0.042 18901 5637 1 10 . 1 1 31 31 VAL H H 31 8.320 8.320 7.919 0.401 18901 5638 1 10 . 1 1 32 32 THR N N 32 119.600 119.600 111.982 7.618 18901 5639 1 10 . 1 1 32 32 THR HA H 32 4.179 4.179 4.555 -0.376 18901 5640 1 10 . 1 1 32 32 THR CA C 32 60.465 60.465 60.615 -0.151 18901 5641 1 10 . 1 1 32 32 THR CB C 32 63.211 63.211 72.019 -8.808 18901 5642 1 10 . 1 1 32 32 THR H H 32 7.828 7.828 7.306 0.522 18901 5643 1 10 . 1 1 33 33 SER N N 33 115.967 115.967 116.349 -0.382 18901 5644 1 10 . 1 1 33 33 SER HA H 33 4.179 4.179 4.216 -0.037 18901 5645 1 10 . 1 1 33 33 SER C C 33 174.332 174.332 175.278 -0.946 18901 5646 1 10 . 1 1 33 33 SER CA C 33 60.428 60.428 59.718 0.710 18901 5647 1 10 . 1 1 33 33 SER CB C 33 62.209 62.209 63.120 -0.911 18901 5648 1 10 . 1 1 33 33 SER H H 33 8.292 8.292 8.554 -0.262 18901 5649 1 10 . 1 1 34 34 GLY N N 34 106.879 106.879 108.455 -1.576 18901 5650 1 10 . 1 1 34 34 GLY C C 34 173.709 173.709 173.210 0.499 18901 5651 1 10 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.517 -0.146 18901 5652 1 10 . 1 1 34 34 GLY H H 34 7.848 7.848 7.731 0.117 18901 5653 1 10 . 1 1 35 35 LYS N N 35 122.205 122.205 120.277 1.928 18901 5654 1 10 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.450 -0.140 18901 5655 1 10 . 1 1 35 35 LYS C C 35 176.262 176.262 175.117 1.145 18901 5656 1 10 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.518 0.153 18901 5657 1 10 . 1 1 35 35 LYS CB C 35 34.247 34.247 33.860 0.387 18901 5658 1 10 . 1 1 35 35 LYS H H 35 8.628 8.628 8.152 0.476 18901 5659 1 10 . 1 1 36 36 ILE N N 36 120.178 120.178 123.876 -3.698 18901 5660 1 10 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.013 0.108 18901 5661 1 10 . 1 1 36 36 ILE C C 36 177.751 177.751 176.857 0.894 18901 5662 1 10 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.710 -2.789 18901 5663 1 10 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.536 -3.224 18901 5664 1 10 . 1 1 36 36 ILE H H 36 8.344 8.344 8.526 -0.182 18901 5665 1 10 . 1 1 37 37 ILE N N 37 122.285 122.285 121.376 0.909 18901 5666 1 10 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.494 -0.277 18901 5667 1 10 . 1 1 37 37 ILE C C 37 176.085 176.085 176.114 -0.029 18901 5668 1 10 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.423 -0.481 18901 5669 1 10 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.092 -0.293 18901 5670 1 10 . 1 1 37 37 ILE H H 37 8.460 8.460 8.930 -0.470 18901 5671 1 10 . 1 1 38 38 GLU N N 38 116.489 116.489 118.059 -1.570 18901 5672 1 10 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.633 -0.464 18901 5673 1 10 . 1 1 38 38 GLU C C 38 171.864 171.864 173.922 -2.058 18901 5674 1 10 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.572 0.404 18901 5675 1 10 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.877 0.603 18901 5676 1 10 . 1 1 38 38 GLU H H 38 7.143 7.143 7.537 -0.394 18901 5677 1 10 . 1 1 39 39 TYR N N 39 118.418 118.418 117.339 1.079 18901 5678 1 10 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.992 0.703 18901 5679 1 10 . 1 1 39 39 TYR C C 39 176.190 176.190 174.379 1.811 18901 5680 1 10 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.304 -0.394 18901 5681 1 10 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.847 0.889 18901 5682 1 10 . 1 1 39 39 TYR H H 39 8.860 8.860 8.641 0.219 18901 5683 1 10 . 1 1 40 40 SER N N 40 111.613 111.613 112.815 -1.202 18901 5684 1 10 . 1 1 40 40 SER HA H 40 5.497 5.497 3.787 1.710 18901 5685 1 10 . 1 1 40 40 SER C C 40 172.888 172.888 171.890 0.998 18901 5686 1 10 . 1 1 40 40 SER CA C 40 58.729 58.729 57.503 1.226 18901 5687 1 10 . 1 1 40 40 SER CB C 40 69.596 69.596 65.784 3.812 18901 5688 1 10 . 1 1 40 40 SER H H 40 8.705 8.705 8.294 0.411 18901 5689 1 10 . 1 1 41 41 VAL N N 41 119.202 119.202 120.389 -1.187 18901 5690 1 10 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.450 0.386 18901 5691 1 10 . 1 1 41 41 VAL C C 41 175.106 175.106 174.098 1.008 18901 5692 1 10 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.320 -0.654 18901 5693 1 10 . 1 1 41 41 VAL CB C 41 34.691 34.691 33.947 0.744 18901 5694 1 10 . 1 1 41 41 VAL H H 41 8.428 8.428 8.003 0.425 18901 5695 1 10 . 1 1 42 42 TYR N N 42 124.792 124.792 126.113 -1.321 18901 5696 1 10 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.863 0.633 18901 5697 1 10 . 1 1 42 42 TYR C C 42 174.659 174.659 173.810 0.849 18901 5698 1 10 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.209 -0.449 18901 5699 1 10 . 1 1 42 42 TYR CB C 42 42.396 42.396 40.095 2.301 18901 5700 1 10 . 1 1 42 42 TYR H H 42 9.773 9.773 9.053 0.720 18901 5701 1 10 . 1 1 43 43 LEU N N 43 123.210 123.210 125.985 -2.775 18901 5702 1 10 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.714 0.539 18901 5703 1 10 . 1 1 43 43 LEU C C 43 176.296 176.296 175.591 0.705 18901 5704 1 10 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.007 0.339 18901 5705 1 10 . 1 1 43 43 LEU CB C 43 48.549 48.549 44.969 3.580 18901 5706 1 10 . 1 1 43 43 LEU H H 43 9.368 9.368 8.982 0.386 18901 5707 1 10 . 1 1 44 44 ALA N N 44 127.556 127.556 129.214 -1.658 18901 5708 1 10 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.776 -0.452 18901 5709 1 10 . 1 1 44 44 ALA C C 44 178.318 178.318 176.961 1.357 18901 5710 1 10 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.234 -0.490 18901 5711 1 10 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.786 -1.137 18901 5712 1 10 . 1 1 44 44 ALA H H 44 8.366 8.366 8.773 -0.407 18901 5713 1 10 . 1 1 45 45 ILE N N 45 119.672 119.672 117.585 2.087 18901 5714 1 10 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.020 -0.277 18901 5715 1 10 . 1 1 45 45 ILE C C 45 175.937 175.937 175.356 0.581 18901 5716 1 10 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.125 1.995 18901 5717 1 10 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.433 0.356 18901 5718 1 10 . 1 1 45 45 ILE H H 45 8.599 8.599 8.158 0.441 18901 5719 1 10 . 1 1 46 46 GLN N N 46 120.248 120.248 121.385 -1.137 18901 5720 1 10 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.100 0.307 18901 5721 1 10 . 1 1 46 46 GLN C C 46 176.355 176.355 174.797 1.558 18901 5722 1 10 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.303 -1.489 18901 5723 1 10 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.083 1.757 18901 5724 1 10 . 1 1 46 46 GLN H H 46 8.207 8.207 8.721 -0.514 18901 5725 1 10 . 1 1 47 47 SER N N 47 117.541 117.541 118.154 -0.613 18901 5726 1 10 . 1 1 47 47 SER HA H 47 4.445 4.445 4.558 -0.113 18901 5727 1 10 . 1 1 47 47 SER C C 47 175.100 175.100 173.446 1.654 18901 5728 1 10 . 1 1 47 47 SER CA C 47 57.957 57.957 57.405 0.552 18901 5729 1 10 . 1 1 47 47 SER CB C 47 64.188 64.188 64.463 -0.275 18901 5730 1 10 . 1 1 47 47 SER H H 47 8.316 8.316 8.223 0.093 18901 5731 1 10 . 1 1 48 48 SER N N 48 116.421 116.421 118.241 -1.820 18901 5732 1 10 . 1 1 48 48 SER HA H 48 4.446 4.446 4.375 0.071 18901 5733 1 10 . 1 1 48 48 SER CA C 48 58.395 58.395 58.272 0.124 18901 5734 1 10 . 1 1 48 48 SER CB C 48 63.932 63.932 63.630 0.302 18901 5735 1 10 . 1 1 48 48 SER H H 48 8.096 8.096 8.325 -0.229 18901 5736 1 10 . 1 1 49 49 GLN N N 49 120.755 120.755 119.782 0.973 18901 5737 1 10 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.180 0.131 18901 5738 1 10 . 1 1 49 49 GLN C C 49 176.420 176.420 175.553 0.867 18901 5739 1 10 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.468 0.374 18901 5740 1 10 . 1 1 49 49 GLN CB C 49 29.751 29.751 29.333 0.418 18901 5741 1 10 . 1 1 49 49 GLN H H 49 8.308 8.308 8.285 0.023 18901 5742 1 10 . 1 1 50 50 ALA N N 50 124.199 124.199 123.669 0.530 18901 5743 1 10 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.935 -0.623 18901 5744 1 10 . 1 1 50 50 ALA C C 50 178.375 178.375 176.642 1.733 18901 5745 1 10 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.275 1.345 18901 5746 1 10 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.094 -1.641 18901 5747 1 10 . 1 1 50 50 ALA H H 50 8.219 8.219 8.390 -0.171 18901 5748 1 10 . 1 1 51 51 SER N N 51 113.652 113.652 112.727 0.925 18901 5749 1 10 . 1 1 51 51 SER HA H 51 4.307 4.307 4.513 -0.206 18901 5750 1 10 . 1 1 51 51 SER C C 51 175.739 175.739 172.558 3.181 18901 5751 1 10 . 1 1 51 51 SER CA C 51 52.695 52.695 58.919 -6.224 18901 5752 1 10 . 1 1 51 51 SER CB C 51 62.104 62.104 65.047 -2.943 18901 5753 1 10 . 1 1 51 51 SER H H 51 8.148 8.148 8.434 -0.286 18901 5754 1 10 . 1 1 52 52 GLY N N 52 109.442 109.442 110.758 -1.316 18901 5755 1 10 . 1 1 52 52 GLY C C 52 174.511 174.511 173.293 1.218 18901 5756 1 10 . 1 1 52 52 GLY CA C 52 45.398 45.398 44.721 0.677 18901 5757 1 10 . 1 1 52 52 GLY H H 52 8.267 8.267 7.955 0.312 18901 5758 1 10 . 1 1 53 53 GLU N N 53 120.137 120.137 124.325 -4.188 18901 5759 1 10 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.512 0.041 18901 5760 1 10 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.894 -0.839 18901 5761 1 10 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.434 -0.590 18901 5762 1 10 . 1 1 53 53 GLU H H 53 7.951 7.951 8.452 -0.501 18901 5763 1 10 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.363 0.002 18901 5764 1 10 . 1 1 54 54 PRO C C 54 177.830 177.830 176.107 1.723 18901 5765 1 10 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.313 0.397 18901 5766 1 10 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.005 0.708 18901 5767 1 10 . 1 1 55 55 LYS N N 55 119.406 119.406 123.512 -4.106 18901 5768 1 10 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.240 0.025 18901 5769 1 10 . 1 1 55 55 LYS C C 55 177.347 177.347 176.436 0.911 18901 5770 1 10 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.223 0.474 18901 5771 1 10 . 1 1 55 55 LYS CB C 55 33.246 33.246 33.349 -0.103 18901 5772 1 10 . 1 1 55 55 LYS H H 55 8.315 8.315 8.141 0.174 18901 5773 1 10 . 1 1 56 56 SER N N 56 114.624 114.624 113.258 1.366 18901 5774 1 10 . 1 1 56 56 SER HA H 56 4.564 4.564 4.497 0.067 18901 5775 1 10 . 1 1 56 56 SER C C 56 175.285 175.285 174.311 0.974 18901 5776 1 10 . 1 1 56 56 SER CA C 56 60.090 60.090 59.877 0.213 18901 5777 1 10 . 1 1 56 56 SER CB C 56 63.305 63.305 63.012 0.293 18901 5778 1 10 . 1 1 56 56 SER H H 56 8.090 8.090 8.649 -0.559 18901 5779 1 10 . 1 1 57 57 SER N N 57 116.016 116.016 114.015 2.001 18901 5780 1 10 . 1 1 57 57 SER HA H 57 4.455 4.455 4.623 -0.168 18901 5781 1 10 . 1 1 57 57 SER C C 57 174.988 174.988 174.087 0.901 18901 5782 1 10 . 1 1 57 57 SER CA C 57 58.332 58.332 58.535 -0.203 18901 5783 1 10 . 1 1 57 57 SER CB C 57 63.876 63.876 64.942 -1.066 18901 5784 1 10 . 1 1 57 57 SER H H 57 8.224 8.224 8.322 -0.098 18901 5785 1 10 . 1 1 58 58 THR N N 58 116.090 116.090 115.532 0.558 18901 5786 1 10 . 1 1 58 58 THR HA H 58 4.602 4.602 4.144 0.458 18901 5787 1 10 . 1 1 58 58 THR CA C 58 59.935 59.935 62.374 -2.439 18901 5788 1 10 . 1 1 58 58 THR CB C 58 69.773 69.773 67.813 1.960 18901 5789 1 10 . 1 1 58 58 THR H H 58 7.939 7.939 8.109 -0.170 18901 5790 1 10 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.459 -0.178 18901 5791 1 10 . 1 1 59 59 PRO C C 59 177.272 177.272 175.706 1.566 18901 5792 1 10 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.307 -0.231 18901 5793 1 10 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.483 0.295 18901 5794 1 10 . 1 1 60 60 ALA N N 60 122.319 122.319 123.308 -0.989 18901 5795 1 10 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.386 -0.167 18901 5796 1 10 . 1 1 60 60 ALA C C 60 178.277 178.277 176.874 1.403 18901 5797 1 10 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.680 0.820 18901 5798 1 10 . 1 1 60 60 ALA CB C 60 19.459 19.459 18.016 1.443 18901 5799 1 10 . 1 1 60 60 ALA H H 60 8.156 8.156 8.347 -0.191 18901 5800 1 10 . 1 1 61 61 GLN N N 61 117.680 117.680 121.942 -4.262 18901 5801 1 10 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.474 -0.196 18901 5802 1 10 . 1 1 61 61 GLN C C 61 176.148 176.148 173.992 2.156 18901 5803 1 10 . 1 1 61 61 GLN CA C 61 55.525 55.525 54.982 0.543 18901 5804 1 10 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.061 0.984 18901 5805 1 10 . 1 1 61 61 GLN H H 61 8.016 8.016 8.407 -0.391 18901 5806 1 10 . 1 1 62 62 LEU N N 62 121.805 121.805 118.102 3.703 18901 5807 1 10 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.590 -0.461 18901 5808 1 10 . 1 1 62 62 LEU C C 62 176.202 176.202 175.080 1.122 18901 5809 1 10 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.835 1.739 18901 5810 1 10 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.695 -0.405 18901 5811 1 10 . 1 1 62 62 LEU H H 62 7.968 7.968 7.470 0.498 18901 5812 1 10 . 1 1 63 63 ALA N N 63 124.947 124.947 122.500 2.447 18901 5813 1 10 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.442 0.054 18901 5814 1 10 . 1 1 63 63 ALA C C 63 176.252 176.252 175.486 0.766 18901 5815 1 10 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.466 -0.668 18901 5816 1 10 . 1 1 63 63 ALA CB C 63 20.646 20.646 18.912 1.734 18901 5817 1 10 . 1 1 63 63 ALA H H 63 8.434 8.434 7.264 1.170 18901 5818 1 10 . 1 1 64 64 PHE N N 64 117.099 117.099 118.932 -1.833 18901 5819 1 10 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.063 0.021 18901 5820 1 10 . 1 1 64 64 PHE C C 64 176.403 176.403 175.705 0.698 18901 5821 1 10 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.108 1.625 18901 5822 1 10 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.611 0.199 18901 5823 1 10 . 1 1 64 64 PHE H H 64 8.446 8.446 7.904 0.541 18901 5824 1 10 . 1 1 65 65 MET N N 65 120.470 120.470 119.073 1.397 18901 5825 1 10 . 1 1 65 65 MET HA H 65 4.902 4.902 4.768 0.134 18901 5826 1 10 . 1 1 65 65 MET CA C 65 53.984 53.984 55.271 -1.287 18901 5827 1 10 . 1 1 65 65 MET CB C 65 36.825 36.825 33.633 3.192 18901 5828 1 10 . 1 1 65 65 MET H H 65 9.050 9.050 9.051 -0.001 18901 5829 1 10 . 1 1 66 66 ARG N N 66 120.685 120.685 117.427 3.258 18901 5830 1 10 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.073 0.070 18901 5831 1 10 . 1 1 66 66 ARG C C 66 176.916 176.916 175.702 1.214 18901 5832 1 10 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.926 1.036 18901 5833 1 10 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.963 3.109 18901 5834 1 10 . 1 1 66 66 ARG H H 66 7.540 7.540 8.183 -0.643 18901 5835 1 10 . 1 1 67 67 VAL N N 67 117.677 117.677 113.570 4.107 18901 5836 1 10 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.825 0.889 18901 5837 1 10 . 1 1 67 67 VAL C C 67 175.777 175.777 175.971 -0.194 18901 5838 1 10 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.254 -3.335 18901 5839 1 10 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.737 1.677 18901 5840 1 10 . 1 1 67 67 VAL H H 67 8.859 8.859 7.847 1.012 18901 5841 1 10 . 1 1 68 68 TYR N N 68 120.707 120.707 121.885 -1.178 18901 5842 1 10 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.344 0.433 18901 5843 1 10 . 1 1 68 68 TYR C C 68 173.712 173.712 175.645 -1.933 18901 5844 1 10 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.449 -1.144 18901 5845 1 10 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.394 4.662 18901 5846 1 10 . 1 1 68 68 TYR H H 68 7.539 7.539 7.609 -0.070 18901 5847 1 10 . 1 1 69 69 CYS N N 69 127.927 127.927 125.299 2.628 18901 5848 1 10 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.621 0.448 18901 5849 1 10 . 1 1 69 69 CYS C C 69 174.094 174.094 174.479 -0.385 18901 5850 1 10 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.562 -0.372 18901 5851 1 10 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.052 -1.062 18901 5852 1 10 . 1 1 69 69 CYS H H 69 7.601 7.601 8.315 -0.714 18901 5853 1 10 . 1 1 70 70 GLY N N 70 114.822 114.822 109.957 4.865 18901 5854 1 10 . 1 1 70 70 GLY CA C 70 46.146 46.146 42.921 3.225 18901 5855 1 10 . 1 1 70 70 GLY H H 70 8.336 8.336 6.721 1.615 18901 5856 1 10 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.359 0.189 18901 5857 1 10 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.292 0.372 18901 5858 1 10 . 1 1 72 72 SER N N 72 112.451 112.451 115.590 -3.139 18901 5859 1 10 . 1 1 72 72 SER HA H 72 4.850 4.850 4.774 0.076 18901 5860 1 10 . 1 1 72 72 SER CA C 72 56.874 56.874 55.808 1.066 18901 5861 1 10 . 1 1 72 72 SER CB C 72 63.248 63.248 63.354 -0.106 18901 5862 1 10 . 1 1 72 72 SER H H 72 7.327 7.327 7.774 -0.447 18901 5863 1 10 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.787 -0.594 18901 5864 1 10 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.926 0.629 18901 5865 1 10 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.232 0.004 18901 5866 1 10 . 1 1 74 74 SER N N 74 111.450 111.450 110.202 1.248 18901 5867 1 10 . 1 1 74 74 SER HA H 74 3.907 3.907 3.265 0.642 18901 5868 1 10 . 1 1 74 74 SER CA C 74 56.710 56.710 58.285 -1.575 18901 5869 1 10 . 1 1 74 74 SER CB C 74 64.647 64.647 61.194 3.453 18901 5870 1 10 . 1 1 74 74 SER H H 74 6.909 6.909 8.256 -1.347 18901 5871 1 10 . 1 1 75 75 CYS N N 75 124.103 124.103 117.395 6.708 18901 5872 1 10 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.330 -0.771 18901 5873 1 10 . 1 1 75 75 CYS C C 75 171.568 171.568 173.754 -2.186 18901 5874 1 10 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.052 4.148 18901 5875 1 10 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.555 -2.304 18901 5876 1 10 . 1 1 75 75 CYS H H 75 6.017 6.017 8.028 -2.011 18901 5877 1 10 . 1 1 76 76 LEU N N 76 121.191 121.191 115.971 5.220 18901 5878 1 10 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.545 0.278 18901 5879 1 10 . 1 1 76 76 LEU C C 76 176.786 176.786 175.120 1.666 18901 5880 1 10 . 1 1 76 76 LEU CA C 76 53.365 53.365 53.880 -0.515 18901 5881 1 10 . 1 1 76 76 LEU CB C 76 44.226 44.226 44.002 0.224 18901 5882 1 10 . 1 1 76 76 LEU H H 76 8.015 8.015 7.642 0.373 18901 5883 1 10 . 1 1 77 77 VAL N N 77 126.347 126.347 117.586 8.761 18901 5884 1 10 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.373 -0.121 18901 5885 1 10 . 1 1 77 77 VAL C C 77 175.529 175.529 174.964 0.565 18901 5886 1 10 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.124 0.527 18901 5887 1 10 . 1 1 77 77 VAL CB C 77 32.676 32.676 36.283 -3.607 18901 5888 1 10 . 1 1 77 77 VAL H H 77 9.084 9.084 7.935 1.149 18901 5889 1 10 . 1 1 78 78 GLN N N 78 124.566 124.566 123.466 1.100 18901 5890 1 10 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.844 -0.329 18901 5891 1 10 . 1 1 78 78 GLN C C 78 178.805 178.805 177.126 1.679 18901 5892 1 10 . 1 1 78 78 GLN CA C 78 56.916 56.916 55.278 1.638 18901 5893 1 10 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.699 0.699 18901 5894 1 10 . 1 1 78 78 GLN H H 78 8.908 8.908 8.881 0.027 18901 5895 1 10 . 1 1 79 79 SER N N 79 116.974 116.974 119.488 -2.514 18901 5896 1 10 . 1 1 79 79 SER HA H 79 4.087 4.087 4.167 -0.080 18901 5897 1 10 . 1 1 79 79 SER C C 79 177.179 177.179 175.848 1.331 18901 5898 1 10 . 1 1 79 79 SER CA C 79 62.454 62.454 61.416 1.038 18901 5899 1 10 . 1 1 79 79 SER CB C 79 62.787 62.787 63.012 -0.225 18901 5900 1 10 . 1 1 79 79 SER H H 79 8.458 8.458 9.018 -0.560 18901 5901 1 10 . 1 1 80 80 SER N N 80 114.734 114.734 116.546 -1.812 18901 5902 1 10 . 1 1 80 80 SER HA H 80 4.211 4.211 4.196 0.015 18901 5903 1 10 . 1 1 80 80 SER C C 80 177.853 177.853 176.467 1.386 18901 5904 1 10 . 1 1 80 80 SER CA C 80 61.190 61.190 61.101 0.089 18901 5905 1 10 . 1 1 80 80 SER CB C 80 62.358 62.358 62.493 -0.135 18901 5906 1 10 . 1 1 80 80 SER H H 80 8.537 8.537 8.660 -0.123 18901 5907 1 10 . 1 1 81 81 SER N N 81 117.137 117.137 118.260 -1.123 18901 5908 1 10 . 1 1 81 81 SER HA H 81 4.455 4.455 4.357 0.098 18901 5909 1 10 . 1 1 81 81 SER C C 81 175.702 175.702 176.704 -1.002 18901 5910 1 10 . 1 1 81 81 SER CA C 81 61.433 61.433 60.529 0.904 18901 5911 1 10 . 1 1 81 81 SER CB C 81 63.130 63.130 63.327 -0.197 18901 5912 1 10 . 1 1 81 81 SER H H 81 7.514 7.514 7.768 -0.254 18901 5913 1 10 . 1 1 82 82 LEU N N 82 117.548 117.548 122.797 -5.249 18901 5914 1 10 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.137 -0.104 18901 5915 1 10 . 1 1 82 82 LEU C C 82 179.445 179.445 179.293 0.152 18901 5916 1 10 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.556 -0.854 18901 5917 1 10 . 1 1 82 82 LEU CB C 82 41.788 41.788 40.435 1.353 18901 5918 1 10 . 1 1 82 82 LEU H H 82 7.629 7.629 7.522 0.107 18901 5919 1 10 . 1 1 83 83 SER N N 83 113.258 113.258 115.540 -2.282 18901 5920 1 10 . 1 1 83 83 SER HA H 83 4.214 4.214 4.176 0.038 18901 5921 1 10 . 1 1 83 83 SER C C 83 175.256 175.256 175.625 -0.369 18901 5922 1 10 . 1 1 83 83 SER CA C 83 61.192 61.192 61.607 -0.415 18901 5923 1 10 . 1 1 83 83 SER CB C 83 63.544 63.544 63.137 0.407 18901 5924 1 10 . 1 1 83 83 SER H H 83 7.805 7.805 8.049 -0.244 18901 5925 1 10 . 1 1 84 84 ASN N N 84 116.565 116.565 117.078 -0.513 18901 5926 1 10 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.774 0.148 18901 5927 1 10 . 1 1 84 84 ASN C C 84 175.063 175.063 174.250 0.813 18901 5928 1 10 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.292 -0.620 18901 5929 1 10 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.161 0.530 18901 5930 1 10 . 1 1 84 84 ASN H H 84 7.612 7.612 7.751 -0.139 18901 5931 1 10 . 1 1 85 85 ALA N N 85 119.819 119.819 121.761 -1.942 18901 5932 1 10 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.367 -0.118 18901 5933 1 10 . 1 1 85 85 ALA C C 85 178.113 178.113 177.186 0.927 18901 5934 1 10 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.153 0.912 18901 5935 1 10 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.436 0.384 18901 5936 1 10 . 1 1 85 85 ALA H H 85 7.558 7.558 7.268 0.290 18901 5937 1 10 . 1 1 86 86 HIS N N 86 118.388 118.388 123.482 -5.094 18901 5938 1 10 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.397 0.008 18901 5939 1 10 . 1 1 86 86 HIS C C 86 175.333 175.333 174.905 0.428 18901 5940 1 10 . 1 1 86 86 HIS CA C 86 55.619 55.619 57.143 -1.524 18901 5941 1 10 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.344 -2.146 18901 5942 1 10 . 1 1 86 86 HIS H H 86 8.280 8.280 8.519 -0.239 18901 5943 1 10 . 1 1 87 87 ILE N N 87 126.618 126.618 123.170 3.448 18901 5944 1 10 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.398 -0.343 18901 5945 1 10 . 1 1 87 87 ILE C C 87 174.718 174.718 175.859 -1.141 18901 5946 1 10 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.783 0.644 18901 5947 1 10 . 1 1 87 87 ILE CB C 87 37.442 37.442 40.348 -2.906 18901 5948 1 10 . 1 1 87 87 ILE H H 87 7.873 7.873 7.636 0.237 18901 5949 1 10 . 1 1 88 88 ASP N N 88 124.684 124.684 127.135 -2.451 18901 5950 1 10 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.612 -0.100 18901 5951 1 10 . 1 1 88 88 ASP C C 88 176.506 176.506 175.843 0.663 18901 5952 1 10 . 1 1 88 88 ASP CA C 88 53.237 53.237 52.520 0.717 18901 5953 1 10 . 1 1 88 88 ASP CB C 88 43.761 43.761 39.537 4.224 18901 5954 1 10 . 1 1 88 88 ASP H H 88 8.572 8.572 9.000 -0.428 18901 5955 1 10 . 1 1 89 89 TYR N N 89 122.959 122.959 125.690 -2.731 18901 5956 1 10 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.394 -0.015 18901 5957 1 10 . 1 1 89 89 TYR C C 89 176.631 176.631 176.000 0.631 18901 5958 1 10 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.548 1.081 18901 5959 1 10 . 1 1 89 89 TYR CB C 89 38.462 38.462 36.117 2.345 18901 5960 1 10 . 1 1 89 89 TYR H H 89 8.533 8.533 8.333 0.200 18901 5961 1 10 . 1 1 90 90 THR N N 90 115.232 115.232 114.686 0.546 18901 5962 1 10 . 1 1 90 90 THR HA H 90 3.974 3.974 4.580 -0.606 18901 5963 1 10 . 1 1 90 90 THR C C 90 176.298 176.298 175.272 1.026 18901 5964 1 10 . 1 1 90 90 THR CA C 90 65.610 65.610 62.613 2.997 18901 5965 1 10 . 1 1 90 90 THR CB C 90 68.758 68.758 70.432 -1.674 18901 5966 1 10 . 1 1 90 90 THR H H 90 8.024 8.024 8.547 -0.523 18901 5967 1 10 . 1 1 91 91 THR N N 91 112.253 112.253 113.368 -1.115 18901 5968 1 10 . 1 1 91 91 THR HA H 91 4.290 4.290 4.454 -0.164 18901 5969 1 10 . 1 1 91 91 THR C C 91 174.644 174.644 174.017 0.627 18901 5970 1 10 . 1 1 91 91 THR CA C 91 61.288 61.288 62.851 -1.563 18901 5971 1 10 . 1 1 91 91 THR CB C 91 69.418 69.418 70.371 -0.953 18901 5972 1 10 . 1 1 91 91 THR H H 91 8.013 8.013 7.728 0.285 18901 5973 1 10 . 1 1 92 92 LYS N N 92 121.833 121.833 122.228 -0.395 18901 5974 1 10 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.878 -0.419 18901 5975 1 10 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.318 1.114 18901 5976 1 10 . 1 1 92 92 LYS CB C 92 29.423 29.423 33.777 -4.354 18901 5977 1 10 . 1 1 92 92 LYS H H 92 7.883 7.883 7.721 0.162 18901 5978 1 10 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.539 -0.328 18901 5979 1 10 . 1 1 93 93 PRO C C 93 176.775 176.775 175.089 1.686 18901 5980 1 10 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.725 0.660 18901 5981 1 10 . 1 1 93 93 PRO CB C 93 32.214 32.214 29.681 2.533 18901 5982 1 10 . 1 1 94 94 ALA N N 94 122.487 122.487 125.163 -2.676 18901 5983 1 10 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.033 -0.168 18901 5984 1 10 . 1 1 94 94 ALA C C 94 175.790 175.790 175.657 0.133 18901 5985 1 10 . 1 1 94 94 ALA CA C 94 51.011 51.011 49.745 1.266 18901 5986 1 10 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.804 0.036 18901 5987 1 10 . 1 1 94 94 ALA H H 94 8.072 8.072 8.380 -0.308 18901 5988 1 10 . 1 1 95 95 ILE N N 95 120.526 120.526 122.559 -2.033 18901 5989 1 10 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.741 -0.450 18901 5990 1 10 . 1 1 95 95 ILE C C 95 175.063 175.063 176.028 -0.965 18901 5991 1 10 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.263 -0.833 18901 5992 1 10 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.280 1.376 18901 5993 1 10 . 1 1 95 95 ILE H H 95 8.099 8.099 8.551 -0.452 18901 5994 1 10 . 1 1 96 96 ILE N N 96 126.053 126.053 126.485 -0.432 18901 5995 1 10 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.705 0.249 18901 5996 1 10 . 1 1 96 96 ILE C C 96 175.609 175.609 175.190 0.419 18901 5997 1 10 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.646 0.644 18901 5998 1 10 . 1 1 96 96 ILE CB C 96 39.899 39.899 38.128 1.771 18901 5999 1 10 . 1 1 96 96 ILE H H 96 9.393 9.393 7.696 1.697 18901 6000 1 10 . 1 1 97 97 PHE N N 97 120.455 120.455 123.619 -3.164 18901 6001 1 10 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.775 1.242 18901 6002 1 10 . 1 1 97 97 PHE C C 97 177.044 177.044 174.416 2.628 18901 6003 1 10 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.862 -1.093 18901 6004 1 10 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.072 0.615 18901 6005 1 10 . 1 1 97 97 PHE H H 97 8.626 8.626 8.447 0.179 18901 6006 1 10 . 1 1 98 98 ARG N N 98 117.253 117.253 121.996 -4.743 18901 6007 1 10 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.830 0.611 18901 6008 1 10 . 1 1 98 98 ARG C C 98 176.125 176.125 174.903 1.222 18901 6009 1 10 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.852 0.111 18901 6010 1 10 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.534 5.087 18901 6011 1 10 . 1 1 98 98 ARG H H 98 9.041 9.041 8.851 0.190 18901 6012 1 10 . 1 1 99 99 ILE N N 99 120.894 120.894 124.189 -3.295 18901 6013 1 10 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.808 0.211 18901 6014 1 10 . 1 1 99 99 ILE C C 99 174.486 174.486 174.030 0.456 18901 6015 1 10 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.987 0.947 18901 6016 1 10 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.776 0.639 18901 6017 1 10 . 1 1 99 99 ILE H H 99 8.499 8.499 7.830 0.669 18901 6018 1 10 . 1 1 100 100 ALA N N 100 127.368 127.368 128.320 -0.952 18901 6019 1 10 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.831 0.057 18901 6020 1 10 . 1 1 100 100 ALA C C 100 175.044 175.044 175.113 -0.069 18901 6021 1 10 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.283 1.073 18901 6022 1 10 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.199 1.391 18901 6023 1 10 . 1 1 100 100 ALA H H 100 8.779 8.779 7.944 0.835 18901 6024 1 10 . 1 1 101 101 ALA N N 101 123.472 123.472 123.160 0.312 18901 6025 1 10 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.209 1.909 18901 6026 1 10 . 1 1 101 101 ALA C C 101 174.314 174.314 176.835 -2.521 18901 6027 1 10 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.280 -0.712 18901 6028 1 10 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.037 5.584 18901 6029 1 10 . 1 1 101 101 ALA H H 101 9.955 9.955 8.581 1.374 18901 6030 1 10 . 1 1 102 102 ARG N N 102 119.295 119.295 124.862 -5.567 18901 6031 1 10 . 1 1 102 102 ARG HA H 102 4.591 4.591 2.992 1.599 18901 6032 1 10 . 1 1 102 102 ARG C C 102 176.649 176.649 174.198 2.451 18901 6033 1 10 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.866 -0.795 18901 6034 1 10 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.189 3.981 18901 6035 1 10 . 1 1 102 102 ARG H H 102 8.474 8.474 7.980 0.494 18901 6036 1 10 . 1 1 103 103 ASN N N 103 124.198 124.198 123.102 1.096 18901 6037 1 10 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.148 0.306 18901 6038 1 10 . 1 1 103 103 ASN C C 103 176.327 176.327 176.379 -0.052 18901 6039 1 10 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.023 0.281 18901 6040 1 10 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.657 -0.998 18901 6041 1 10 . 1 1 103 103 ASN H H 103 7.816 7.816 7.712 0.104 18901 6042 1 10 . 1 1 104 104 GLU N N 104 115.270 115.270 120.132 -4.862 18901 6043 1 10 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.973 -0.120 18901 6044 1 10 . 1 1 104 104 GLU C C 104 177.716 177.716 177.101 0.615 18901 6045 1 10 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.778 1.127 18901 6046 1 10 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.300 -0.137 18901 6047 1 10 . 1 1 104 104 GLU H H 104 9.416 9.416 8.241 1.175 18901 6048 1 10 . 1 1 105 105 LYS N N 105 116.576 116.576 115.937 0.639 18901 6049 1 10 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.012 0.250 18901 6050 1 10 . 1 1 105 105 LYS C C 105 177.667 177.667 176.675 0.992 18901 6051 1 10 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.816 0.240 18901 6052 1 10 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.484 0.567 18901 6053 1 10 . 1 1 105 105 LYS H H 105 7.737 7.737 8.057 -0.320 18901 6054 1 10 . 1 1 106 106 GLY N N 106 104.067 104.067 105.107 -1.040 18901 6055 1 10 . 1 1 106 106 GLY C C 106 172.796 172.796 174.540 -1.744 18901 6056 1 10 . 1 1 106 106 GLY CA C 106 45.916 45.916 45.036 0.880 18901 6057 1 10 . 1 1 106 106 GLY H H 106 7.906 7.906 7.629 0.277 18901 6058 1 10 . 1 1 107 107 TYR N N 107 117.296 117.296 117.194 0.102 18901 6059 1 10 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.104 0.645 18901 6060 1 10 . 1 1 107 107 TYR C C 107 178.772 178.772 175.778 2.994 18901 6061 1 10 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.000 1.800 18901 6062 1 10 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.121 4.445 18901 6063 1 10 . 1 1 107 107 TYR H H 107 8.378 8.378 7.887 0.491 18901 6064 1 10 . 1 1 108 108 GLY N N 108 107.379 107.379 109.263 -1.884 18901 6065 1 10 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.519 -1.257 18901 6066 1 10 . 1 1 108 108 GLY H H 108 8.651 8.651 8.490 0.161 18901 6067 1 10 . 1 1 109 109 PRO CA C 109 61.945 61.945 63.129 -1.184 18901 6068 1 10 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.792 0.079 18901 6069 1 10 . 1 1 110 110 ALA C C 110 179.404 179.404 176.460 2.944 18901 6070 1 10 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.447 -0.179 18901 6071 1 10 . 1 1 110 110 ALA CB C 110 20.115 20.115 23.020 -2.905 18901 6072 1 10 . 1 1 111 111 THR N N 111 118.432 118.432 116.013 2.419 18901 6073 1 10 . 1 1 111 111 THR HA H 111 4.396 4.396 4.541 -0.145 18901 6074 1 10 . 1 1 111 111 THR C C 111 173.449 173.449 173.267 0.182 18901 6075 1 10 . 1 1 111 111 THR CA C 111 61.721 61.721 61.708 0.013 18901 6076 1 10 . 1 1 111 111 THR CB C 111 69.967 69.967 70.773 -0.806 18901 6077 1 10 . 1 1 111 111 THR H H 111 8.810 8.810 8.431 0.379 18901 6078 1 10 . 1 1 112 112 GLN N N 112 127.590 127.590 127.806 -0.216 18901 6079 1 10 . 1 1 112 112 GLN HA H 112 5.337 5.337 5.195 0.142 18901 6080 1 10 . 1 1 112 112 GLN C C 112 175.442 175.442 174.386 1.056 18901 6081 1 10 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.681 0.122 18901 6082 1 10 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.940 1.813 18901 6083 1 10 . 1 1 112 112 GLN H H 112 8.698 8.698 8.617 0.081 18901 6084 1 10 . 1 1 113 113 VAL N N 113 123.646 123.646 121.759 1.887 18901 6085 1 10 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.749 -0.175 18901 6086 1 10 . 1 1 113 113 VAL C C 113 173.891 173.891 174.449 -0.558 18901 6087 1 10 . 1 1 113 113 VAL CA C 113 60.284 60.284 59.440 0.844 18901 6088 1 10 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.124 0.940 18901 6089 1 10 . 1 1 113 113 VAL H H 113 9.101 9.101 8.128 0.973 18901 6090 1 10 . 1 1 114 114 ARG N N 114 122.944 122.944 121.072 1.872 18901 6091 1 10 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.313 -0.380 18901 6092 1 10 . 1 1 114 114 ARG C C 114 175.683 175.683 175.502 0.181 18901 6093 1 10 . 1 1 114 114 ARG CA C 114 54.749 54.749 55.385 -0.636 18901 6094 1 10 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.456 -0.403 18901 6095 1 10 . 1 1 114 114 ARG H H 114 8.434 8.434 8.563 -0.129 18901 6096 1 10 . 1 1 115 115 TRP N N 115 126.067 126.067 126.853 -0.786 18901 6097 1 10 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.100 0.157 18901 6098 1 10 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.131 -1.610 18901 6099 1 10 . 1 1 115 115 TRP CB C 115 30.048 30.048 31.548 -1.500 18901 6100 1 10 . 1 1 115 115 TRP H H 115 9.944 9.944 9.377 0.567 18901 6101 1 10 . 1 1 116 116 LEU N N 116 130.031 130.031 125.715 4.316 18901 6102 1 10 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.754 -0.491 18901 6103 1 10 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.786 0.911 18901 6104 1 10 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.185 0.541 18901 6105 1 10 . 1 1 116 116 LEU H H 116 8.722 8.722 8.338 0.384 18901 6106 1 10 . 1 1 117 117 GLN N N 117 124.737 124.737 116.384 8.353 18901 6107 1 10 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.782 0.266 18901 6108 1 10 . 1 1 117 117 GLN CA C 117 57.436 57.436 57.251 0.185 18901 6109 1 10 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.219 4.449 18901 6110 1 10 . 1 1 117 117 GLN H H 117 7.453 7.453 7.615 -0.163 18901 6111 1 10 . 1 1 118 118 GLU N N 118 118.531 118.531 115.772 2.759 18901 6112 1 10 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.586 -0.191 18901 6113 1 10 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.897 -1.215 18901 6114 1 10 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.283 1.089 18901 6115 1 10 . 1 1 118 118 GLU H H 118 7.891 7.891 7.458 0.433 18901 6116 1 10 . 1 1 119 119 THR N N 119 121.831 121.831 117.157 4.674 18901 6117 1 10 . 1 1 119 119 THR HA H 119 4.267 4.267 4.079 0.188 18901 6118 1 10 . 1 1 119 119 THR CA C 119 55.604 55.604 63.772 -8.168 18901 6119 1 10 . 1 1 119 119 THR CB C 119 69.285 69.285 69.116 0.169 18901 6120 1 10 . 1 1 119 119 THR H H 119 7.892 7.892 7.404 0.488 18901 6121 1 11 . 1 1 6 6 PHE N N 6 117.872 117.872 119.515 -1.643 18901 6122 1 11 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.840 -0.050 18901 6123 1 11 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.867 0.159 18901 6124 1 11 . 1 1 6 6 PHE CB C 6 38.260 38.260 42.024 -3.764 18901 6125 1 11 . 1 1 6 6 PHE H H 6 7.818 7.818 8.192 -0.374 18901 6126 1 11 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.174 -58.988 18901 6127 1 11 . 1 1 8 8 GLY N N 8 101.657 101.657 109.382 -7.725 18901 6128 1 11 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.869 -0.693 18901 6129 1 11 . 1 1 8 8 GLY H H 8 7.927 7.927 8.473 -0.546 18901 6130 1 11 . 1 1 9 9 ALA N N 9 120.767 120.767 125.338 -4.571 18901 6131 1 11 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.832 0.033 18901 6132 1 11 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.122 0.076 18901 6133 1 11 . 1 1 9 9 ALA CB C 9 18.937 18.937 21.493 -2.556 18901 6134 1 11 . 1 1 9 9 ALA H H 9 8.235 8.235 8.134 0.101 18901 6135 1 11 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.641 -0.284 18901 6136 1 11 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.977 0.335 18901 6137 1 11 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.295 0.516 18901 6138 1 11 . 1 1 11 11 CYS N N 11 114.905 114.905 118.536 -3.631 18901 6139 1 11 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.707 0.231 18901 6140 1 11 . 1 1 11 11 CYS C C 11 172.706 172.706 174.677 -1.971 18901 6141 1 11 . 1 1 11 11 CYS CA C 11 56.838 56.838 58.126 -1.288 18901 6142 1 11 . 1 1 11 11 CYS CB C 11 32.139 32.139 30.857 1.282 18901 6143 1 11 . 1 1 11 11 CYS H H 11 8.084 8.084 8.229 -0.145 18901 6144 1 11 . 1 1 12 12 ALA N N 12 120.844 120.844 121.026 -0.182 18901 6145 1 11 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.075 -0.148 18901 6146 1 11 . 1 1 12 12 ALA C C 12 176.005 176.005 176.510 -0.505 18901 6147 1 11 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.245 -0.481 18901 6148 1 11 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.247 0.349 18901 6149 1 11 . 1 1 12 12 ALA H H 12 8.535 8.535 8.657 -0.122 18901 6150 1 11 . 1 1 13 13 ILE N N 13 116.800 116.800 118.618 -1.818 18901 6151 1 11 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.264 0.189 18901 6152 1 11 . 1 1 13 13 ILE C C 13 177.506 177.506 176.365 1.141 18901 6153 1 11 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.084 0.251 18901 6154 1 11 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.038 -0.170 18901 6155 1 11 . 1 1 13 13 ILE H H 13 7.802 7.802 7.863 -0.061 18901 6156 1 11 . 1 1 14 14 LYS N N 14 129.030 129.030 129.104 -0.074 18901 6157 1 11 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.611 -0.014 18901 6158 1 11 . 1 1 14 14 LYS C C 14 175.508 175.508 175.170 0.338 18901 6159 1 11 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.319 0.233 18901 6160 1 11 . 1 1 14 14 LYS CB C 14 35.288 35.288 34.535 0.753 18901 6161 1 11 . 1 1 14 14 LYS H H 14 9.249 9.249 8.174 1.075 18901 6162 1 11 . 1 1 15 15 ILE N N 15 121.333 121.333 121.324 0.009 18901 6163 1 11 . 1 1 15 15 ILE HA H 15 4.584 4.584 5.133 -0.549 18901 6164 1 11 . 1 1 15 15 ILE C C 15 175.983 175.983 175.486 0.497 18901 6165 1 11 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.672 1.137 18901 6166 1 11 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.104 -0.484 18901 6167 1 11 . 1 1 15 15 ILE H H 15 8.231 8.231 8.516 -0.285 18901 6168 1 11 . 1 1 16 16 SER N N 16 120.251 120.251 120.594 -0.343 18901 6169 1 11 . 1 1 16 16 SER HA H 16 4.933 4.933 5.583 -0.650 18901 6170 1 11 . 1 1 16 16 SER C C 16 173.725 173.725 173.042 0.683 18901 6171 1 11 . 1 1 16 16 SER CA C 16 56.656 56.656 57.101 -0.445 18901 6172 1 11 . 1 1 16 16 SER CB C 16 65.750 65.750 66.539 -0.789 18901 6173 1 11 . 1 1 16 16 SER H H 16 8.694 8.694 8.823 -0.129 18901 6174 1 11 . 1 1 17 17 LYS N N 17 124.155 124.155 124.719 -0.564 18901 6175 1 11 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.654 0.006 18901 6176 1 11 . 1 1 17 17 LYS C C 17 175.815 175.815 175.749 0.066 18901 6177 1 11 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.871 0.404 18901 6178 1 11 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.729 0.837 18901 6179 1 11 . 1 1 17 17 LYS H H 17 8.985 8.985 8.757 0.228 18901 6180 1 11 . 1 1 18 18 SER N N 18 121.663 121.663 118.505 3.158 18901 6181 1 11 . 1 1 18 18 SER HA H 18 5.076 5.076 4.913 0.163 18901 6182 1 11 . 1 1 18 18 SER CA C 18 56.676 56.676 56.086 0.590 18901 6183 1 11 . 1 1 18 18 SER CB C 18 64.993 64.993 63.780 1.213 18901 6184 1 11 . 1 1 18 18 SER H H 18 8.555 8.555 8.205 0.350 18901 6185 1 11 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.473 -0.139 18901 6186 1 11 . 1 1 19 19 PRO C C 19 177.406 177.406 176.575 0.831 18901 6187 1 11 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.851 0.638 18901 6188 1 11 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.984 0.081 18901 6189 1 11 . 1 1 20 20 ASP N N 20 110.573 110.573 118.007 -7.434 18901 6190 1 11 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.599 0.080 18901 6191 1 11 . 1 1 20 20 ASP C C 20 176.667 176.667 175.431 1.236 18901 6192 1 11 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.682 -0.124 18901 6193 1 11 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.726 -0.303 18901 6194 1 11 . 1 1 20 20 ASP H H 20 8.019 8.019 8.305 -0.285 18901 6195 1 11 . 1 1 21 21 GLY N N 21 107.592 107.592 105.963 1.629 18901 6196 1 11 . 1 1 21 21 GLY C C 21 172.365 172.365 172.556 -0.191 18901 6197 1 11 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.777 0.953 18901 6198 1 11 . 1 1 21 21 GLY H H 21 7.623 7.623 7.264 0.359 18901 6199 1 11 . 1 1 22 22 ALA N N 22 123.764 123.764 122.628 1.136 18901 6200 1 11 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.984 -0.197 18901 6201 1 11 . 1 1 22 22 ALA C C 22 175.801 175.801 176.886 -1.085 18901 6202 1 11 . 1 1 22 22 ALA CA C 22 50.779 50.779 49.939 0.840 18901 6203 1 11 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.512 0.622 18901 6204 1 11 . 1 1 22 22 ALA H H 22 8.704 8.704 8.077 0.627 18901 6205 1 11 . 1 1 23 23 HIS N N 23 120.666 120.666 122.489 -1.823 18901 6206 1 11 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.356 0.625 18901 6207 1 11 . 1 1 23 23 HIS C C 23 174.199 174.199 174.266 -0.067 18901 6208 1 11 . 1 1 23 23 HIS CA C 23 54.267 54.267 57.101 -2.834 18901 6209 1 11 . 1 1 23 23 HIS CB C 23 29.989 29.989 29.748 0.241 18901 6210 1 11 . 1 1 23 23 HIS H H 23 9.088 9.088 8.617 0.471 18901 6211 1 11 . 1 1 24 24 LEU N N 24 127.467 127.467 125.877 1.590 18901 6212 1 11 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.694 0.486 18901 6213 1 11 . 1 1 24 24 LEU C C 24 176.430 176.430 176.612 -0.182 18901 6214 1 11 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.375 2.153 18901 6215 1 11 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.038 0.919 18901 6216 1 11 . 1 1 24 24 LEU H H 24 8.702 8.702 8.208 0.494 18901 6217 1 11 . 1 1 25 25 THR N N 25 111.459 111.459 111.570 -0.111 18901 6218 1 11 . 1 1 25 25 THR HA H 25 4.186 4.186 4.180 0.006 18901 6219 1 11 . 1 1 25 25 THR C C 25 172.720 172.720 172.281 0.439 18901 6220 1 11 . 1 1 25 25 THR CA C 25 60.798 60.798 60.001 0.797 18901 6221 1 11 . 1 1 25 25 THR CB C 25 72.021 72.021 71.287 0.734 18901 6222 1 11 . 1 1 25 25 THR H H 25 8.643 8.643 8.552 0.091 18901 6223 1 11 . 1 1 26 26 TRP N N 26 117.073 117.073 118.919 -1.846 18901 6224 1 11 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.241 -0.208 18901 6225 1 11 . 1 1 26 26 TRP C C 26 173.425 173.425 174.573 -1.148 18901 6226 1 11 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.432 1.255 18901 6227 1 11 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.858 -1.701 18901 6228 1 11 . 1 1 26 26 TRP H H 26 7.301 7.301 7.504 -0.203 18901 6229 1 11 . 1 1 27 27 GLU N N 27 115.563 115.563 120.716 -5.153 18901 6230 1 11 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.754 0.068 18901 6231 1 11 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.249 -1.360 18901 6232 1 11 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.215 0.615 18901 6233 1 11 . 1 1 27 27 GLU H H 27 8.753 8.753 8.701 0.052 18901 6234 1 11 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.631 -0.292 18901 6235 1 11 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.974 3.573 18901 6236 1 11 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.793 1.349 18901 6237 1 11 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.739 -0.454 18901 6238 1 11 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.856 -0.876 18901 6239 1 11 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.803 0.081 18901 6240 1 11 . 1 1 30 30 SER N N 30 110.838 110.838 117.205 -6.367 18901 6241 1 11 . 1 1 30 30 SER HA H 30 3.910 3.910 4.651 -0.741 18901 6242 1 11 . 1 1 30 30 SER CA C 30 56.967 56.967 58.692 -1.725 18901 6243 1 11 . 1 1 30 30 SER CB C 30 64.771 64.771 63.217 1.554 18901 6244 1 11 . 1 1 30 30 SER H H 30 8.317 8.317 8.683 -0.366 18901 6245 1 11 . 1 1 31 31 VAL N N 31 114.209 114.209 122.083 -7.874 18901 6246 1 11 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.499 -0.291 18901 6247 1 11 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.014 -1.234 18901 6248 1 11 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.749 0.022 18901 6249 1 11 . 1 1 31 31 VAL H H 31 8.320 8.320 7.905 0.415 18901 6250 1 11 . 1 1 32 32 THR N N 32 119.600 119.600 113.733 5.867 18901 6251 1 11 . 1 1 32 32 THR HA H 32 4.179 4.179 4.539 -0.360 18901 6252 1 11 . 1 1 32 32 THR CA C 32 60.465 60.465 62.144 -1.679 18901 6253 1 11 . 1 1 32 32 THR CB C 32 63.211 63.211 69.025 -5.814 18901 6254 1 11 . 1 1 32 32 THR H H 32 7.828 7.828 7.820 0.008 18901 6255 1 11 . 1 1 33 33 SER N N 33 115.967 115.967 114.724 1.243 18901 6256 1 11 . 1 1 33 33 SER HA H 33 4.179 4.179 4.392 -0.213 18901 6257 1 11 . 1 1 33 33 SER C C 33 174.332 174.332 175.339 -1.007 18901 6258 1 11 . 1 1 33 33 SER CA C 33 60.428 60.428 58.754 1.674 18901 6259 1 11 . 1 1 33 33 SER CB C 33 62.209 62.209 63.609 -1.400 18901 6260 1 11 . 1 1 33 33 SER H H 33 8.292 8.292 8.147 0.145 18901 6261 1 11 . 1 1 34 34 GLY N N 34 106.879 106.879 111.407 -4.528 18901 6262 1 11 . 1 1 34 34 GLY C C 34 173.709 173.709 173.571 0.138 18901 6263 1 11 . 1 1 34 34 GLY CA C 34 44.371 44.371 45.243 -0.872 18901 6264 1 11 . 1 1 34 34 GLY H H 34 7.848 7.848 8.106 -0.258 18901 6265 1 11 . 1 1 35 35 LYS N N 35 122.205 122.205 124.374 -2.169 18901 6266 1 11 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.567 -0.257 18901 6267 1 11 . 1 1 35 35 LYS C C 35 176.262 176.262 175.284 0.978 18901 6268 1 11 . 1 1 35 35 LYS CA C 35 55.671 55.671 54.673 0.998 18901 6269 1 11 . 1 1 35 35 LYS CB C 35 34.247 34.247 31.900 2.347 18901 6270 1 11 . 1 1 35 35 LYS H H 35 8.628 8.628 8.413 0.215 18901 6271 1 11 . 1 1 36 36 ILE N N 36 120.178 120.178 125.632 -5.454 18901 6272 1 11 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.978 0.143 18901 6273 1 11 . 1 1 36 36 ILE C C 36 177.751 177.751 176.417 1.334 18901 6274 1 11 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.792 -2.871 18901 6275 1 11 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.265 -2.953 18901 6276 1 11 . 1 1 36 36 ILE H H 36 8.344 8.344 8.579 -0.235 18901 6277 1 11 . 1 1 37 37 ILE N N 37 122.285 122.285 124.050 -1.765 18901 6278 1 11 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.528 -0.311 18901 6279 1 11 . 1 1 37 37 ILE C C 37 176.085 176.085 176.093 -0.008 18901 6280 1 11 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.563 -0.621 18901 6281 1 11 . 1 1 37 37 ILE CB C 37 39.799 39.799 39.933 -0.134 18901 6282 1 11 . 1 1 37 37 ILE H H 37 8.460 8.460 8.792 -0.332 18901 6283 1 11 . 1 1 38 38 GLU N N 38 116.489 116.489 118.608 -2.119 18901 6284 1 11 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.546 -0.377 18901 6285 1 11 . 1 1 38 38 GLU C C 38 171.864 171.864 174.000 -2.136 18901 6286 1 11 . 1 1 38 38 GLU CA C 38 55.976 55.976 54.934 1.042 18901 6287 1 11 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.826 1.654 18901 6288 1 11 . 1 1 38 38 GLU H H 38 7.143 7.143 7.874 -0.731 18901 6289 1 11 . 1 1 39 39 TYR N N 39 118.418 118.418 118.348 0.070 18901 6290 1 11 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.852 0.843 18901 6291 1 11 . 1 1 39 39 TYR C C 39 176.190 176.190 174.099 2.091 18901 6292 1 11 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.588 -0.677 18901 6293 1 11 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.646 1.090 18901 6294 1 11 . 1 1 39 39 TYR H H 39 8.860 8.860 8.215 0.645 18901 6295 1 11 . 1 1 40 40 SER N N 40 111.613 111.613 112.952 -1.339 18901 6296 1 11 . 1 1 40 40 SER HA H 40 5.497 5.497 3.963 1.534 18901 6297 1 11 . 1 1 40 40 SER C C 40 172.888 172.888 171.667 1.221 18901 6298 1 11 . 1 1 40 40 SER CA C 40 58.729 58.729 56.506 2.223 18901 6299 1 11 . 1 1 40 40 SER CB C 40 69.596 69.596 64.502 5.094 18901 6300 1 11 . 1 1 40 40 SER H H 40 8.705 8.705 8.179 0.526 18901 6301 1 11 . 1 1 41 41 VAL N N 41 119.202 119.202 121.057 -1.855 18901 6302 1 11 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.387 0.449 18901 6303 1 11 . 1 1 41 41 VAL C C 41 175.106 175.106 174.386 0.720 18901 6304 1 11 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.586 -0.920 18901 6305 1 11 . 1 1 41 41 VAL CB C 41 34.691 34.691 33.209 1.482 18901 6306 1 11 . 1 1 41 41 VAL H H 41 8.428 8.428 8.328 0.100 18901 6307 1 11 . 1 1 42 42 TYR N N 42 124.792 124.792 125.397 -0.605 18901 6308 1 11 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.436 1.060 18901 6309 1 11 . 1 1 42 42 TYR C C 42 174.659 174.659 173.635 1.024 18901 6310 1 11 . 1 1 42 42 TYR CA C 42 55.760 55.760 58.717 -2.957 18901 6311 1 11 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.386 3.010 18901 6312 1 11 . 1 1 42 42 TYR H H 42 9.773 9.773 9.091 0.682 18901 6313 1 11 . 1 1 43 43 LEU N N 43 123.210 123.210 121.095 2.115 18901 6314 1 11 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.752 0.501 18901 6315 1 11 . 1 1 43 43 LEU C C 43 176.296 176.296 174.962 1.334 18901 6316 1 11 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.599 -0.252 18901 6317 1 11 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.367 2.183 18901 6318 1 11 . 1 1 43 43 LEU H H 43 9.368 9.368 8.389 0.979 18901 6319 1 11 . 1 1 44 44 ALA N N 44 127.556 127.556 129.961 -2.405 18901 6320 1 11 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.942 -0.618 18901 6321 1 11 . 1 1 44 44 ALA C C 44 178.318 178.318 177.276 1.042 18901 6322 1 11 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.276 0.468 18901 6323 1 11 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.221 -0.572 18901 6324 1 11 . 1 1 44 44 ALA H H 44 8.366 8.366 8.069 0.297 18901 6325 1 11 . 1 1 45 45 ILE N N 45 119.672 119.672 120.472 -0.800 18901 6326 1 11 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.639 0.104 18901 6327 1 11 . 1 1 45 45 ILE C C 45 175.937 175.937 176.230 -0.293 18901 6328 1 11 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.426 0.694 18901 6329 1 11 . 1 1 45 45 ILE CB C 45 41.789 41.789 39.404 2.385 18901 6330 1 11 . 1 1 45 45 ILE H H 45 8.599 8.599 8.303 0.296 18901 6331 1 11 . 1 1 46 46 GLN N N 46 120.248 120.248 122.706 -2.458 18901 6332 1 11 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.110 0.297 18901 6333 1 11 . 1 1 46 46 GLN C C 46 176.355 176.355 175.027 1.328 18901 6334 1 11 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.578 -1.764 18901 6335 1 11 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.971 1.869 18901 6336 1 11 . 1 1 46 46 GLN H H 46 8.207 8.207 8.347 -0.140 18901 6337 1 11 . 1 1 47 47 SER N N 47 117.541 117.541 118.124 -0.583 18901 6338 1 11 . 1 1 47 47 SER HA H 47 4.445 4.445 4.614 -0.169 18901 6339 1 11 . 1 1 47 47 SER C C 47 175.100 175.100 173.720 1.380 18901 6340 1 11 . 1 1 47 47 SER CA C 47 57.957 57.957 58.251 -0.294 18901 6341 1 11 . 1 1 47 47 SER CB C 47 64.188 64.188 64.346 -0.158 18901 6342 1 11 . 1 1 47 47 SER H H 47 8.316 8.316 8.246 0.070 18901 6343 1 11 . 1 1 48 48 SER N N 48 116.421 116.421 119.092 -2.671 18901 6344 1 11 . 1 1 48 48 SER HA H 48 4.446 4.446 4.267 0.179 18901 6345 1 11 . 1 1 48 48 SER CA C 48 58.395 58.395 59.447 -1.052 18901 6346 1 11 . 1 1 48 48 SER CB C 48 63.932 63.932 63.349 0.583 18901 6347 1 11 . 1 1 48 48 SER H H 48 8.096 8.096 8.591 -0.494 18901 6348 1 11 . 1 1 49 49 GLN N N 49 120.755 120.755 119.080 1.675 18901 6349 1 11 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.476 -0.165 18901 6350 1 11 . 1 1 49 49 GLN C C 49 176.420 176.420 174.462 1.958 18901 6351 1 11 . 1 1 49 49 GLN CA C 49 55.842 55.842 54.347 1.495 18901 6352 1 11 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.175 -0.424 18901 6353 1 11 . 1 1 49 49 GLN H H 49 8.308 8.308 7.347 0.961 18901 6354 1 11 . 1 1 50 50 ALA N N 50 124.199 124.199 122.560 1.639 18901 6355 1 11 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.004 0.308 18901 6356 1 11 . 1 1 50 50 ALA C C 50 178.375 178.375 175.881 2.494 18901 6357 1 11 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.415 0.205 18901 6358 1 11 . 1 1 50 50 ALA CB C 50 19.453 19.453 18.322 1.131 18901 6359 1 11 . 1 1 50 50 ALA H H 50 8.219 8.219 8.433 -0.214 18901 6360 1 11 . 1 1 51 51 SER N N 51 113.652 113.652 116.643 -2.991 18901 6361 1 11 . 1 1 51 51 SER HA H 51 4.307 4.307 4.751 -0.444 18901 6362 1 11 . 1 1 51 51 SER C C 51 175.739 175.739 173.708 2.031 18901 6363 1 11 . 1 1 51 51 SER CA C 51 52.695 52.695 57.563 -4.868 18901 6364 1 11 . 1 1 51 51 SER CB C 51 62.104 62.104 64.602 -2.498 18901 6365 1 11 . 1 1 51 51 SER H H 51 8.148 8.148 8.345 -0.197 18901 6366 1 11 . 1 1 52 52 GLY N N 52 109.442 109.442 114.185 -4.743 18901 6367 1 11 . 1 1 52 52 GLY C C 52 174.511 174.511 172.561 1.950 18901 6368 1 11 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.441 -0.043 18901 6369 1 11 . 1 1 52 52 GLY H H 52 8.267 8.267 8.132 0.135 18901 6370 1 11 . 1 1 53 53 GLU N N 53 120.137 120.137 120.483 -0.346 18901 6371 1 11 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.873 -0.320 18901 6372 1 11 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.514 0.541 18901 6373 1 11 . 1 1 53 53 GLU CB C 53 29.844 29.844 31.446 -1.602 18901 6374 1 11 . 1 1 53 53 GLU H H 53 7.951 7.951 8.159 -0.208 18901 6375 1 11 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.458 -0.093 18901 6376 1 11 . 1 1 54 54 PRO C C 54 177.830 177.830 177.448 0.382 18901 6377 1 11 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.529 1.181 18901 6378 1 11 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.781 -0.069 18901 6379 1 11 . 1 1 55 55 LYS N N 55 119.406 119.406 117.631 1.775 18901 6380 1 11 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.827 0.438 18901 6381 1 11 . 1 1 55 55 LYS C C 55 177.347 177.347 175.610 1.737 18901 6382 1 11 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.934 -0.236 18901 6383 1 11 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.824 1.422 18901 6384 1 11 . 1 1 55 55 LYS H H 55 8.315 8.315 8.647 -0.332 18901 6385 1 11 . 1 1 56 56 SER N N 56 114.624 114.624 113.163 1.461 18901 6386 1 11 . 1 1 56 56 SER HA H 56 4.564 4.564 4.124 0.440 18901 6387 1 11 . 1 1 56 56 SER C C 56 175.285 175.285 174.792 0.493 18901 6388 1 11 . 1 1 56 56 SER CA C 56 60.090 60.090 59.028 1.062 18901 6389 1 11 . 1 1 56 56 SER CB C 56 63.305 63.305 62.266 1.039 18901 6390 1 11 . 1 1 56 56 SER H H 56 8.090 8.090 8.494 -0.404 18901 6391 1 11 . 1 1 57 57 SER N N 57 116.016 116.016 115.113 0.903 18901 6392 1 11 . 1 1 57 57 SER HA H 57 4.455 4.455 4.264 0.191 18901 6393 1 11 . 1 1 57 57 SER C C 57 174.988 174.988 175.328 -0.340 18901 6394 1 11 . 1 1 57 57 SER CA C 57 58.332 58.332 61.614 -3.282 18901 6395 1 11 . 1 1 57 57 SER CB C 57 63.876 63.876 63.818 0.058 18901 6396 1 11 . 1 1 57 57 SER H H 57 8.224 8.224 7.976 0.248 18901 6397 1 11 . 1 1 58 58 THR N N 58 116.090 116.090 112.108 3.982 18901 6398 1 11 . 1 1 58 58 THR HA H 58 4.602 4.602 4.790 -0.188 18901 6399 1 11 . 1 1 58 58 THR CA C 58 59.935 59.935 58.810 1.125 18901 6400 1 11 . 1 1 58 58 THR CB C 58 69.773 69.773 70.178 -0.405 18901 6401 1 11 . 1 1 58 58 THR H H 58 7.939 7.939 7.517 0.422 18901 6402 1 11 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.491 -0.210 18901 6403 1 11 . 1 1 59 59 PRO C C 59 177.272 177.272 175.591 1.681 18901 6404 1 11 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.785 -0.709 18901 6405 1 11 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.295 2.483 18901 6406 1 11 . 1 1 60 60 ALA N N 60 122.319 122.319 127.531 -5.212 18901 6407 1 11 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.329 -0.110 18901 6408 1 11 . 1 1 60 60 ALA C C 60 178.277 178.277 175.841 2.436 18901 6409 1 11 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.000 0.500 18901 6410 1 11 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.438 -0.979 18901 6411 1 11 . 1 1 60 60 ALA H H 60 8.156 8.156 7.742 0.414 18901 6412 1 11 . 1 1 61 61 GLN N N 61 117.680 117.680 121.666 -3.986 18901 6413 1 11 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.299 -0.021 18901 6414 1 11 . 1 1 61 61 GLN C C 61 176.148 176.148 175.287 0.861 18901 6415 1 11 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.177 0.348 18901 6416 1 11 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.581 0.464 18901 6417 1 11 . 1 1 61 61 GLN H H 61 8.016 8.016 8.307 -0.291 18901 6418 1 11 . 1 1 62 62 LEU N N 62 121.805 121.805 117.023 4.782 18901 6419 1 11 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.646 -0.517 18901 6420 1 11 . 1 1 62 62 LEU C C 62 176.202 176.202 176.493 -0.291 18901 6421 1 11 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.598 1.976 18901 6422 1 11 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.699 -0.409 18901 6423 1 11 . 1 1 62 62 LEU H H 62 7.968 7.968 7.880 0.088 18901 6424 1 11 . 1 1 63 63 ALA N N 63 124.947 124.947 122.066 2.881 18901 6425 1 11 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.519 -0.023 18901 6426 1 11 . 1 1 63 63 ALA C C 63 176.252 176.252 175.524 0.728 18901 6427 1 11 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.303 -0.505 18901 6428 1 11 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.719 -0.073 18901 6429 1 11 . 1 1 63 63 ALA H H 63 8.434 8.434 7.667 0.767 18901 6430 1 11 . 1 1 64 64 PHE N N 64 117.099 117.099 120.938 -3.839 18901 6431 1 11 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.025 0.059 18901 6432 1 11 . 1 1 64 64 PHE C C 64 176.403 176.403 175.010 1.393 18901 6433 1 11 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.987 0.746 18901 6434 1 11 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.412 0.398 18901 6435 1 11 . 1 1 64 64 PHE H H 64 8.446 8.446 8.567 -0.121 18901 6436 1 11 . 1 1 65 65 MET N N 65 120.470 120.470 119.914 0.556 18901 6437 1 11 . 1 1 65 65 MET HA H 65 4.902 4.902 4.778 0.124 18901 6438 1 11 . 1 1 65 65 MET CA C 65 53.984 53.984 55.184 -1.200 18901 6439 1 11 . 1 1 65 65 MET CB C 65 36.825 36.825 34.535 2.289 18901 6440 1 11 . 1 1 65 65 MET H H 65 9.050 9.050 9.087 -0.037 18901 6441 1 11 . 1 1 66 66 ARG N N 66 120.685 120.685 116.606 4.079 18901 6442 1 11 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.168 -0.025 18901 6443 1 11 . 1 1 66 66 ARG C C 66 176.916 176.916 175.302 1.614 18901 6444 1 11 . 1 1 66 66 ARG CA C 66 57.962 57.962 57.231 0.731 18901 6445 1 11 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.372 3.700 18901 6446 1 11 . 1 1 66 66 ARG H H 66 7.540 7.540 8.308 -0.768 18901 6447 1 11 . 1 1 67 67 VAL N N 67 117.677 117.677 110.071 7.606 18901 6448 1 11 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.830 0.884 18901 6449 1 11 . 1 1 67 67 VAL C C 67 175.777 175.777 176.235 -0.458 18901 6450 1 11 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.255 -2.336 18901 6451 1 11 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.529 1.885 18901 6452 1 11 . 1 1 67 67 VAL H H 67 8.859 8.859 7.722 1.137 18901 6453 1 11 . 1 1 68 68 TYR N N 68 120.707 120.707 122.956 -2.249 18901 6454 1 11 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.255 0.522 18901 6455 1 11 . 1 1 68 68 TYR C C 68 173.712 173.712 174.953 -1.241 18901 6456 1 11 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.470 -1.165 18901 6457 1 11 . 1 1 68 68 TYR CB C 68 43.056 43.056 36.545 6.511 18901 6458 1 11 . 1 1 68 68 TYR H H 68 7.539 7.539 7.645 -0.106 18901 6459 1 11 . 1 1 69 69 CYS N N 69 127.927 127.927 126.766 1.161 18901 6460 1 11 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.215 0.854 18901 6461 1 11 . 1 1 69 69 CYS C C 69 174.094 174.094 174.332 -0.238 18901 6462 1 11 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.968 -0.778 18901 6463 1 11 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.133 -1.143 18901 6464 1 11 . 1 1 69 69 CYS H H 69 7.601 7.601 7.856 -0.255 18901 6465 1 11 . 1 1 70 70 GLY N N 70 114.822 114.822 109.935 4.887 18901 6466 1 11 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.038 2.108 18901 6467 1 11 . 1 1 70 70 GLY H H 70 8.336 8.336 7.451 0.885 18901 6468 1 11 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.440 0.108 18901 6469 1 11 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.157 0.507 18901 6470 1 11 . 1 1 72 72 SER N N 72 112.451 112.451 114.832 -2.381 18901 6471 1 11 . 1 1 72 72 SER HA H 72 4.850 4.850 4.867 -0.017 18901 6472 1 11 . 1 1 72 72 SER CA C 72 56.874 56.874 55.258 1.616 18901 6473 1 11 . 1 1 72 72 SER CB C 72 63.248 63.248 64.337 -1.089 18901 6474 1 11 . 1 1 72 72 SER H H 72 7.327 7.327 7.669 -0.342 18901 6475 1 11 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.504 -0.311 18901 6476 1 11 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.948 -0.393 18901 6477 1 11 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.074 0.162 18901 6478 1 11 . 1 1 74 74 SER N N 74 111.450 111.450 110.627 0.823 18901 6479 1 11 . 1 1 74 74 SER HA H 74 3.907 3.907 3.655 0.252 18901 6480 1 11 . 1 1 74 74 SER CA C 74 56.710 56.710 56.727 -0.017 18901 6481 1 11 . 1 1 74 74 SER CB C 74 64.647 64.647 62.611 2.036 18901 6482 1 11 . 1 1 74 74 SER H H 74 6.909 6.909 7.664 -0.755 18901 6483 1 11 . 1 1 75 75 CYS N N 75 124.103 124.103 118.947 5.156 18901 6484 1 11 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.131 -0.572 18901 6485 1 11 . 1 1 75 75 CYS C C 75 171.568 171.568 173.219 -1.651 18901 6486 1 11 . 1 1 75 75 CYS CA C 75 62.200 62.200 61.657 0.543 18901 6487 1 11 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.278 -2.027 18901 6488 1 11 . 1 1 75 75 CYS H H 75 6.017 6.017 7.959 -1.942 18901 6489 1 11 . 1 1 76 76 LEU N N 76 121.191 121.191 121.393 -0.202 18901 6490 1 11 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.463 0.360 18901 6491 1 11 . 1 1 76 76 LEU C C 76 176.786 176.786 174.580 2.206 18901 6492 1 11 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.360 -0.995 18901 6493 1 11 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.913 1.313 18901 6494 1 11 . 1 1 76 76 LEU H H 76 8.015 8.015 8.534 -0.519 18901 6495 1 11 . 1 1 77 77 VAL N N 77 126.347 126.347 126.722 -0.375 18901 6496 1 11 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.387 -0.135 18901 6497 1 11 . 1 1 77 77 VAL C C 77 175.529 175.529 174.773 0.756 18901 6498 1 11 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.525 0.126 18901 6499 1 11 . 1 1 77 77 VAL CB C 77 32.676 32.676 33.332 -0.656 18901 6500 1 11 . 1 1 77 77 VAL H H 77 9.084 9.084 8.633 0.451 18901 6501 1 11 . 1 1 78 78 GLN N N 78 124.566 124.566 125.884 -1.318 18901 6502 1 11 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.679 -0.164 18901 6503 1 11 . 1 1 78 78 GLN C C 78 178.805 178.805 177.629 1.176 18901 6504 1 11 . 1 1 78 78 GLN CA C 78 56.916 56.916 55.520 1.396 18901 6505 1 11 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.731 0.667 18901 6506 1 11 . 1 1 78 78 GLN H H 78 8.908 8.908 8.564 0.344 18901 6507 1 11 . 1 1 79 79 SER N N 79 116.974 116.974 118.068 -1.094 18901 6508 1 11 . 1 1 79 79 SER HA H 79 4.087 4.087 4.158 -0.071 18901 6509 1 11 . 1 1 79 79 SER C C 79 177.179 177.179 176.091 1.088 18901 6510 1 11 . 1 1 79 79 SER CA C 79 62.454 62.454 62.051 0.403 18901 6511 1 11 . 1 1 79 79 SER CB C 79 62.787 62.787 62.807 -0.020 18901 6512 1 11 . 1 1 79 79 SER H H 79 8.458 8.458 8.813 -0.355 18901 6513 1 11 . 1 1 80 80 SER N N 80 114.734 114.734 116.261 -1.527 18901 6514 1 11 . 1 1 80 80 SER HA H 80 4.211 4.211 4.360 -0.149 18901 6515 1 11 . 1 1 80 80 SER C C 80 177.853 177.853 176.171 1.682 18901 6516 1 11 . 1 1 80 80 SER CA C 80 61.190 61.190 60.326 0.864 18901 6517 1 11 . 1 1 80 80 SER CB C 80 62.358 62.358 62.395 -0.037 18901 6518 1 11 . 1 1 80 80 SER H H 80 8.537 8.537 8.725 -0.188 18901 6519 1 11 . 1 1 81 81 SER N N 81 117.137 117.137 117.218 -0.081 18901 6520 1 11 . 1 1 81 81 SER HA H 81 4.455 4.455 4.410 0.045 18901 6521 1 11 . 1 1 81 81 SER C C 81 175.702 175.702 176.373 -0.671 18901 6522 1 11 . 1 1 81 81 SER CA C 81 61.433 61.433 60.617 0.816 18901 6523 1 11 . 1 1 81 81 SER CB C 81 63.130 63.130 63.209 -0.079 18901 6524 1 11 . 1 1 81 81 SER H H 81 7.514 7.514 7.871 -0.357 18901 6525 1 11 . 1 1 82 82 LEU N N 82 117.548 117.548 122.864 -5.316 18901 6526 1 11 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.253 -0.220 18901 6527 1 11 . 1 1 82 82 LEU C C 82 179.445 179.445 178.640 0.805 18901 6528 1 11 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.203 -0.501 18901 6529 1 11 . 1 1 82 82 LEU CB C 82 41.788 41.788 42.059 -0.271 18901 6530 1 11 . 1 1 82 82 LEU H H 82 7.629 7.629 7.676 -0.047 18901 6531 1 11 . 1 1 83 83 SER N N 83 113.258 113.258 115.183 -1.925 18901 6532 1 11 . 1 1 83 83 SER HA H 83 4.214 4.214 4.171 0.043 18901 6533 1 11 . 1 1 83 83 SER C C 83 175.256 175.256 175.396 -0.140 18901 6534 1 11 . 1 1 83 83 SER CA C 83 61.192 61.192 61.376 -0.184 18901 6535 1 11 . 1 1 83 83 SER CB C 83 63.544 63.544 63.202 0.342 18901 6536 1 11 . 1 1 83 83 SER H H 83 7.805 7.805 8.346 -0.541 18901 6537 1 11 . 1 1 84 84 ASN N N 84 116.565 116.565 117.367 -0.802 18901 6538 1 11 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.850 0.072 18901 6539 1 11 . 1 1 84 84 ASN C C 84 175.063 175.063 174.225 0.838 18901 6540 1 11 . 1 1 84 84 ASN CA C 84 52.672 52.672 52.890 -0.218 18901 6541 1 11 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.844 0.847 18901 6542 1 11 . 1 1 84 84 ASN H H 84 7.612 7.612 7.831 -0.219 18901 6543 1 11 . 1 1 85 85 ALA N N 85 119.819 119.819 121.915 -2.096 18901 6544 1 11 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.328 -0.079 18901 6545 1 11 . 1 1 85 85 ALA C C 85 178.113 178.113 176.953 1.160 18901 6546 1 11 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.073 0.992 18901 6547 1 11 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.475 0.345 18901 6548 1 11 . 1 1 85 85 ALA H H 85 7.558 7.558 7.344 0.214 18901 6549 1 11 . 1 1 86 86 HIS N N 86 118.388 118.388 123.504 -5.116 18901 6550 1 11 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.427 -0.022 18901 6551 1 11 . 1 1 86 86 HIS C C 86 175.333 175.333 174.994 0.339 18901 6552 1 11 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.784 -1.165 18901 6553 1 11 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.966 -1.768 18901 6554 1 11 . 1 1 86 86 HIS H H 86 8.280 8.280 8.368 -0.088 18901 6555 1 11 . 1 1 87 87 ILE N N 87 126.618 126.618 126.204 0.414 18901 6556 1 11 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.299 -0.244 18901 6557 1 11 . 1 1 87 87 ILE C C 87 174.718 174.718 175.591 -0.873 18901 6558 1 11 . 1 1 87 87 ILE CA C 87 59.427 59.427 57.823 1.604 18901 6559 1 11 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.951 -0.509 18901 6560 1 11 . 1 1 87 87 ILE H H 87 7.873 7.873 8.091 -0.218 18901 6561 1 11 . 1 1 88 88 ASP N N 88 124.684 124.684 127.895 -3.211 18901 6562 1 11 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.559 -0.047 18901 6563 1 11 . 1 1 88 88 ASP C C 88 176.506 176.506 174.967 1.539 18901 6564 1 11 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.769 -1.532 18901 6565 1 11 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.481 1.280 18901 6566 1 11 . 1 1 88 88 ASP H H 88 8.572 8.572 8.549 0.023 18901 6567 1 11 . 1 1 89 89 TYR N N 89 122.959 122.959 123.972 -1.013 18901 6568 1 11 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.773 -0.394 18901 6569 1 11 . 1 1 89 89 TYR C C 89 176.631 176.631 175.495 1.136 18901 6570 1 11 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.873 0.756 18901 6571 1 11 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.402 -0.940 18901 6572 1 11 . 1 1 89 89 TYR H H 89 8.533 8.533 8.632 -0.099 18901 6573 1 11 . 1 1 90 90 THR N N 90 115.232 115.232 115.133 0.099 18901 6574 1 11 . 1 1 90 90 THR HA H 90 3.974 3.974 4.488 -0.514 18901 6575 1 11 . 1 1 90 90 THR C C 90 176.298 176.298 175.500 0.798 18901 6576 1 11 . 1 1 90 90 THR CA C 90 65.610 65.610 62.754 2.856 18901 6577 1 11 . 1 1 90 90 THR CB C 90 68.758 68.758 69.334 -0.576 18901 6578 1 11 . 1 1 90 90 THR H H 90 8.024 8.024 8.769 -0.745 18901 6579 1 11 . 1 1 91 91 THR N N 91 112.253 112.253 113.385 -1.132 18901 6580 1 11 . 1 1 91 91 THR HA H 91 4.290 4.290 4.566 -0.276 18901 6581 1 11 . 1 1 91 91 THR C C 91 174.644 174.644 174.433 0.211 18901 6582 1 11 . 1 1 91 91 THR CA C 91 61.288 61.288 62.891 -1.603 18901 6583 1 11 . 1 1 91 91 THR CB C 91 69.418 69.418 70.616 -1.198 18901 6584 1 11 . 1 1 91 91 THR H H 91 8.013 8.013 8.512 -0.499 18901 6585 1 11 . 1 1 92 92 LYS N N 92 121.833 121.833 120.943 0.890 18901 6586 1 11 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.629 -0.170 18901 6587 1 11 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.758 0.674 18901 6588 1 11 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.387 -5.964 18901 6589 1 11 . 1 1 92 92 LYS H H 92 7.883 7.883 7.690 0.193 18901 6590 1 11 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.592 -0.381 18901 6591 1 11 . 1 1 93 93 PRO C C 93 176.775 176.775 175.488 1.287 18901 6592 1 11 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.837 0.548 18901 6593 1 11 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.058 1.156 18901 6594 1 11 . 1 1 94 94 ALA N N 94 122.487 122.487 125.299 -2.812 18901 6595 1 11 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.026 -0.161 18901 6596 1 11 . 1 1 94 94 ALA C C 94 175.790 175.790 175.704 0.086 18901 6597 1 11 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.402 0.609 18901 6598 1 11 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.514 0.326 18901 6599 1 11 . 1 1 94 94 ALA H H 94 8.072 8.072 7.615 0.457 18901 6600 1 11 . 1 1 95 95 ILE N N 95 120.526 120.526 120.906 -0.380 18901 6601 1 11 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.508 -0.217 18901 6602 1 11 . 1 1 95 95 ILE C C 95 175.063 175.063 175.523 -0.460 18901 6603 1 11 . 1 1 95 95 ILE CA C 95 60.430 60.430 62.040 -1.610 18901 6604 1 11 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.134 1.522 18901 6605 1 11 . 1 1 95 95 ILE H H 95 8.099 8.099 7.928 0.171 18901 6606 1 11 . 1 1 96 96 ILE N N 96 126.053 126.053 125.649 0.404 18901 6607 1 11 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.762 0.192 18901 6608 1 11 . 1 1 96 96 ILE C C 96 175.609 175.609 174.768 0.841 18901 6609 1 11 . 1 1 96 96 ILE CA C 96 60.290 60.290 58.578 1.712 18901 6610 1 11 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.222 2.677 18901 6611 1 11 . 1 1 96 96 ILE H H 96 9.393 9.393 8.635 0.758 18901 6612 1 11 . 1 1 97 97 PHE N N 97 120.455 120.455 127.904 -7.449 18901 6613 1 11 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.906 1.111 18901 6614 1 11 . 1 1 97 97 PHE C C 97 177.044 177.044 175.109 1.935 18901 6615 1 11 . 1 1 97 97 PHE CA C 97 55.769 55.769 57.300 -1.531 18901 6616 1 11 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.228 1.458 18901 6617 1 11 . 1 1 97 97 PHE H H 97 8.626 8.626 8.901 -0.275 18901 6618 1 11 . 1 1 98 98 ARG N N 98 117.253 117.253 122.093 -4.840 18901 6619 1 11 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.070 0.371 18901 6620 1 11 . 1 1 98 98 ARG C C 98 176.125 176.125 174.544 1.581 18901 6621 1 11 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.418 0.545 18901 6622 1 11 . 1 1 98 98 ARG CB C 98 35.621 35.621 31.071 4.550 18901 6623 1 11 . 1 1 98 98 ARG H H 98 9.041 9.041 9.020 0.021 18901 6624 1 11 . 1 1 99 99 ILE N N 99 120.894 120.894 123.574 -2.680 18901 6625 1 11 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.626 0.393 18901 6626 1 11 . 1 1 99 99 ILE C C 99 174.486 174.486 173.833 0.653 18901 6627 1 11 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.065 0.869 18901 6628 1 11 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.402 1.013 18901 6629 1 11 . 1 1 99 99 ILE H H 99 8.499 8.499 7.813 0.686 18901 6630 1 11 . 1 1 100 100 ALA N N 100 127.368 127.368 127.390 -0.022 18901 6631 1 11 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.753 0.135 18901 6632 1 11 . 1 1 100 100 ALA C C 100 175.044 175.044 174.799 0.245 18901 6633 1 11 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.285 1.071 18901 6634 1 11 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.893 1.697 18901 6635 1 11 . 1 1 100 100 ALA H H 100 8.779 8.779 7.789 0.990 18901 6636 1 11 . 1 1 101 101 ALA N N 101 123.472 123.472 122.588 0.884 18901 6637 1 11 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.509 2.609 18901 6638 1 11 . 1 1 101 101 ALA C C 101 174.314 174.314 177.070 -2.756 18901 6639 1 11 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.265 -0.697 18901 6640 1 11 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.745 5.876 18901 6641 1 11 . 1 1 101 101 ALA H H 101 9.955 9.955 8.401 1.554 18901 6642 1 11 . 1 1 102 102 ARG N N 102 119.295 119.295 125.811 -6.516 18901 6643 1 11 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.296 1.295 18901 6644 1 11 . 1 1 102 102 ARG C C 102 176.649 176.649 174.473 2.176 18901 6645 1 11 . 1 1 102 102 ARG CA C 102 54.071 54.071 53.983 0.088 18901 6646 1 11 . 1 1 102 102 ARG CB C 102 33.170 33.170 28.295 4.875 18901 6647 1 11 . 1 1 102 102 ARG H H 102 8.474 8.474 7.424 1.050 18901 6648 1 11 . 1 1 103 103 ASN N N 103 124.198 124.198 121.714 2.484 18901 6649 1 11 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.143 0.311 18901 6650 1 11 . 1 1 103 103 ASN C C 103 176.327 176.327 176.130 0.197 18901 6651 1 11 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.337 -0.033 18901 6652 1 11 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.032 -0.374 18901 6653 1 11 . 1 1 103 103 ASN H H 103 7.816 7.816 7.931 -0.115 18901 6654 1 11 . 1 1 104 104 GLU N N 104 115.270 115.270 119.881 -4.611 18901 6655 1 11 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.153 -0.300 18901 6656 1 11 . 1 1 104 104 GLU C C 104 177.716 177.716 177.496 0.220 18901 6657 1 11 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.006 0.899 18901 6658 1 11 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.674 -0.510 18901 6659 1 11 . 1 1 104 104 GLU H H 104 9.416 9.416 8.275 1.141 18901 6660 1 11 . 1 1 105 105 LYS N N 105 116.576 116.576 116.293 0.283 18901 6661 1 11 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.274 -0.012 18901 6662 1 11 . 1 1 105 105 LYS C C 105 177.667 177.667 177.259 0.408 18901 6663 1 11 . 1 1 105 105 LYS CA C 105 57.055 57.055 57.184 -0.128 18901 6664 1 11 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.828 0.223 18901 6665 1 11 . 1 1 105 105 LYS H H 105 7.737 7.737 8.517 -0.780 18901 6666 1 11 . 1 1 106 106 GLY N N 106 104.067 104.067 105.759 -1.692 18901 6667 1 11 . 1 1 106 106 GLY C C 106 172.796 172.796 173.582 -0.786 18901 6668 1 11 . 1 1 106 106 GLY CA C 106 45.916 45.916 45.195 0.721 18901 6669 1 11 . 1 1 106 106 GLY H H 106 7.906 7.906 7.789 0.117 18901 6670 1 11 . 1 1 107 107 TYR N N 107 117.296 117.296 121.427 -4.131 18901 6671 1 11 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.164 0.585 18901 6672 1 11 . 1 1 107 107 TYR C C 107 178.772 178.772 175.332 3.440 18901 6673 1 11 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.179 1.621 18901 6674 1 11 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.599 3.967 18901 6675 1 11 . 1 1 107 107 TYR H H 107 8.378 8.378 8.595 -0.217 18901 6676 1 11 . 1 1 108 108 GLY N N 108 107.379 107.379 108.112 -0.733 18901 6677 1 11 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.818 -0.556 18901 6678 1 11 . 1 1 108 108 GLY H H 108 8.651 8.651 8.551 0.100 18901 6679 1 11 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.701 -0.756 18901 6680 1 11 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.547 0.324 18901 6681 1 11 . 1 1 110 110 ALA C C 110 179.404 179.404 177.553 1.851 18901 6682 1 11 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.116 -0.848 18901 6683 1 11 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.832 -1.717 18901 6684 1 11 . 1 1 111 111 THR N N 111 118.432 118.432 119.157 -0.725 18901 6685 1 11 . 1 1 111 111 THR HA H 111 4.396 4.396 4.064 0.332 18901 6686 1 11 . 1 1 111 111 THR C C 111 173.449 173.449 174.068 -0.619 18901 6687 1 11 . 1 1 111 111 THR CA C 111 61.721 61.721 63.526 -1.805 18901 6688 1 11 . 1 1 111 111 THR CB C 111 69.967 69.967 69.320 0.647 18901 6689 1 11 . 1 1 111 111 THR H H 111 8.810 8.810 8.214 0.596 18901 6690 1 11 . 1 1 112 112 GLN N N 112 127.590 127.590 127.364 0.226 18901 6691 1 11 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.478 0.859 18901 6692 1 11 . 1 1 112 112 GLN C C 112 175.442 175.442 175.180 0.262 18901 6693 1 11 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.386 -0.583 18901 6694 1 11 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.654 3.099 18901 6695 1 11 . 1 1 112 112 GLN H H 112 8.698 8.698 8.731 -0.033 18901 6696 1 11 . 1 1 113 113 VAL N N 113 123.646 123.646 126.161 -2.515 18901 6697 1 11 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.357 0.217 18901 6698 1 11 . 1 1 113 113 VAL C C 113 173.891 173.891 174.642 -0.751 18901 6699 1 11 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.296 -1.012 18901 6700 1 11 . 1 1 113 113 VAL CB C 113 36.064 36.064 34.056 2.008 18901 6701 1 11 . 1 1 113 113 VAL H H 113 9.101 9.101 8.594 0.507 18901 6702 1 11 . 1 1 114 114 ARG N N 114 122.944 122.944 121.297 1.647 18901 6703 1 11 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.533 -0.600 18901 6704 1 11 . 1 1 114 114 ARG C C 114 175.683 175.683 174.832 0.851 18901 6705 1 11 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.314 0.435 18901 6706 1 11 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.638 -1.585 18901 6707 1 11 . 1 1 114 114 ARG H H 114 8.434 8.434 8.478 -0.044 18901 6708 1 11 . 1 1 115 115 TRP N N 115 126.067 126.067 122.921 3.146 18901 6709 1 11 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.032 0.225 18901 6710 1 11 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.658 -2.137 18901 6711 1 11 . 1 1 115 115 TRP CB C 115 30.048 30.048 32.054 -2.006 18901 6712 1 11 . 1 1 115 115 TRP H H 115 9.944 9.944 8.742 1.202 18901 6713 1 11 . 1 1 116 116 LEU N N 116 130.031 130.031 127.184 2.847 18901 6714 1 11 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.458 -0.195 18901 6715 1 11 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.056 1.641 18901 6716 1 11 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.263 0.464 18901 6717 1 11 . 1 1 116 116 LEU H H 116 8.722 8.722 8.520 0.202 18901 6718 1 11 . 1 1 117 117 GLN N N 117 124.737 124.737 117.543 7.194 18901 6719 1 11 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.063 -0.015 18901 6720 1 11 . 1 1 117 117 GLN CA C 117 57.436 57.436 54.636 2.800 18901 6721 1 11 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.873 2.795 18901 6722 1 11 . 1 1 117 117 GLN H H 117 7.453 7.453 7.045 0.408 18901 6723 1 11 . 1 1 118 118 GLU N N 118 118.531 118.531 121.143 -2.612 18901 6724 1 11 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.979 -0.584 18901 6725 1 11 . 1 1 118 118 GLU CA C 118 54.682 54.682 57.022 -2.340 18901 6726 1 11 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.028 0.344 18901 6727 1 11 . 1 1 118 118 GLU H H 118 7.891 7.891 7.885 0.006 18901 6728 1 11 . 1 1 119 119 THR N N 119 121.831 121.831 117.191 4.640 18901 6729 1 11 . 1 1 119 119 THR HA H 119 4.267 4.267 4.359 -0.092 18901 6730 1 11 . 1 1 119 119 THR CA C 119 55.604 55.604 61.405 -5.801 18901 6731 1 11 . 1 1 119 119 THR CB C 119 69.285 69.285 69.892 -0.607 18901 6732 1 11 . 1 1 119 119 THR H H 119 7.892 7.892 7.834 0.058 18901 6733 1 12 . 1 1 6 6 PHE N N 6 117.872 117.872 119.720 -1.848 18901 6734 1 12 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.473 0.317 18901 6735 1 12 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.631 0.395 18901 6736 1 12 . 1 1 6 6 PHE CB C 6 38.260 38.260 38.499 -0.239 18901 6737 1 12 . 1 1 6 6 PHE H H 6 7.818 7.818 8.461 -0.643 18901 6738 1 12 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.467 -59.281 18901 6739 1 12 . 1 1 8 8 GLY N N 8 101.657 101.657 107.596 -5.939 18901 6740 1 12 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.802 -0.626 18901 6741 1 12 . 1 1 8 8 GLY H H 8 7.927 7.927 7.648 0.279 18901 6742 1 12 . 1 1 9 9 ALA N N 9 120.767 120.767 124.667 -3.900 18901 6743 1 12 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.841 0.024 18901 6744 1 12 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.068 0.131 18901 6745 1 12 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.520 -1.583 18901 6746 1 12 . 1 1 9 9 ALA H H 9 8.235 8.235 8.366 -0.131 18901 6747 1 12 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.549 -0.192 18901 6748 1 12 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.877 0.436 18901 6749 1 12 . 1 1 10 10 PRO CB C 10 32.811 32.811 31.866 0.945 18901 6750 1 12 . 1 1 11 11 CYS N N 11 114.905 114.905 121.060 -6.155 18901 6751 1 12 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.678 0.260 18901 6752 1 12 . 1 1 11 11 CYS C C 11 172.706 172.706 174.745 -2.039 18901 6753 1 12 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.445 -0.607 18901 6754 1 12 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.325 0.814 18901 6755 1 12 . 1 1 11 11 CYS H H 11 8.084 8.084 8.307 -0.223 18901 6756 1 12 . 1 1 12 12 ALA N N 12 120.844 120.844 121.889 -1.045 18901 6757 1 12 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.016 -0.089 18901 6758 1 12 . 1 1 12 12 ALA C C 12 176.005 176.005 177.317 -1.312 18901 6759 1 12 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.164 -0.400 18901 6760 1 12 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.699 -0.103 18901 6761 1 12 . 1 1 12 12 ALA H H 12 8.535 8.535 8.742 -0.207 18901 6762 1 12 . 1 1 13 13 ILE N N 13 116.800 116.800 118.463 -1.663 18901 6763 1 12 . 1 1 13 13 ILE HA H 13 4.453 4.453 3.920 0.533 18901 6764 1 12 . 1 1 13 13 ILE C C 13 177.506 177.506 176.503 1.003 18901 6765 1 12 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.898 -0.563 18901 6766 1 12 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.359 -0.491 18901 6767 1 12 . 1 1 13 13 ILE H H 13 7.802 7.802 7.990 -0.188 18901 6768 1 12 . 1 1 14 14 LYS N N 14 129.030 129.030 126.209 2.821 18901 6769 1 12 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.651 -0.054 18901 6770 1 12 . 1 1 14 14 LYS C C 14 175.508 175.508 174.779 0.729 18901 6771 1 12 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.531 1.021 18901 6772 1 12 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.212 0.076 18901 6773 1 12 . 1 1 14 14 LYS H H 14 9.249 9.249 8.360 0.889 18901 6774 1 12 . 1 1 15 15 ILE N N 15 121.333 121.333 120.954 0.379 18901 6775 1 12 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.801 -0.217 18901 6776 1 12 . 1 1 15 15 ILE C C 15 175.983 175.983 175.495 0.488 18901 6777 1 12 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.294 0.514 18901 6778 1 12 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.923 -0.303 18901 6779 1 12 . 1 1 15 15 ILE H H 15 8.231 8.231 8.368 -0.137 18901 6780 1 12 . 1 1 16 16 SER N N 16 120.251 120.251 121.099 -0.848 18901 6781 1 12 . 1 1 16 16 SER HA H 16 4.933 4.933 5.027 -0.094 18901 6782 1 12 . 1 1 16 16 SER C C 16 173.725 173.725 172.746 0.979 18901 6783 1 12 . 1 1 16 16 SER CA C 16 56.656 56.656 56.672 -0.016 18901 6784 1 12 . 1 1 16 16 SER CB C 16 65.750 65.750 65.436 0.314 18901 6785 1 12 . 1 1 16 16 SER H H 16 8.694 8.694 8.382 0.312 18901 6786 1 12 . 1 1 17 17 LYS N N 17 124.155 124.155 120.562 3.593 18901 6787 1 12 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.880 -0.220 18901 6788 1 12 . 1 1 17 17 LYS C C 17 175.815 175.815 175.767 0.048 18901 6789 1 12 . 1 1 17 17 LYS CA C 17 57.275 57.275 55.699 1.576 18901 6790 1 12 . 1 1 17 17 LYS CB C 17 34.566 34.566 35.604 -1.038 18901 6791 1 12 . 1 1 17 17 LYS H H 17 8.985 8.985 8.490 0.495 18901 6792 1 12 . 1 1 18 18 SER N N 18 121.663 121.663 117.762 3.901 18901 6793 1 12 . 1 1 18 18 SER HA H 18 5.076 5.076 4.867 0.209 18901 6794 1 12 . 1 1 18 18 SER CA C 18 56.676 56.676 56.712 -0.036 18901 6795 1 12 . 1 1 18 18 SER CB C 18 64.993 64.993 65.059 -0.066 18901 6796 1 12 . 1 1 18 18 SER H H 18 8.555 8.555 8.312 0.243 18901 6797 1 12 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.435 -0.101 18901 6798 1 12 . 1 1 19 19 PRO C C 19 177.406 177.406 176.322 1.084 18901 6799 1 12 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.981 0.508 18901 6800 1 12 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.272 -0.207 18901 6801 1 12 . 1 1 20 20 ASP N N 20 110.573 110.573 116.989 -6.416 18901 6802 1 12 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.597 0.082 18901 6803 1 12 . 1 1 20 20 ASP C C 20 176.667 176.667 176.708 -0.041 18901 6804 1 12 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.961 -1.403 18901 6805 1 12 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.826 -0.403 18901 6806 1 12 . 1 1 20 20 ASP H H 20 8.019 8.019 8.343 -0.324 18901 6807 1 12 . 1 1 21 21 GLY N N 21 107.592 107.592 104.415 3.177 18901 6808 1 12 . 1 1 21 21 GLY C C 21 172.365 172.365 171.777 0.588 18901 6809 1 12 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.502 1.228 18901 6810 1 12 . 1 1 21 21 GLY H H 21 7.623 7.623 7.579 0.044 18901 6811 1 12 . 1 1 22 22 ALA N N 22 123.764 123.764 120.607 3.157 18901 6812 1 12 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.905 -0.118 18901 6813 1 12 . 1 1 22 22 ALA C C 22 175.801 175.801 175.730 0.071 18901 6814 1 12 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.347 0.432 18901 6815 1 12 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.679 -0.545 18901 6816 1 12 . 1 1 22 22 ALA H H 22 8.704 8.704 7.943 0.761 18901 6817 1 12 . 1 1 23 23 HIS N N 23 120.666 120.666 122.946 -2.280 18901 6818 1 12 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.611 0.370 18901 6819 1 12 . 1 1 23 23 HIS C C 23 174.199 174.199 174.472 -0.273 18901 6820 1 12 . 1 1 23 23 HIS CA C 23 54.267 54.267 55.444 -1.177 18901 6821 1 12 . 1 1 23 23 HIS CB C 23 29.989 29.989 29.713 0.276 18901 6822 1 12 . 1 1 23 23 HIS H H 23 9.088 9.088 8.212 0.876 18901 6823 1 12 . 1 1 24 24 LEU N N 24 127.467 127.467 128.039 -0.572 18901 6824 1 12 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.593 0.587 18901 6825 1 12 . 1 1 24 24 LEU C C 24 176.430 176.430 175.136 1.294 18901 6826 1 12 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.060 2.468 18901 6827 1 12 . 1 1 24 24 LEU CB C 24 44.957 44.957 42.192 2.765 18901 6828 1 12 . 1 1 24 24 LEU H H 24 8.702 8.702 7.906 0.796 18901 6829 1 12 . 1 1 25 25 THR N N 25 111.459 111.459 113.806 -2.347 18901 6830 1 12 . 1 1 25 25 THR HA H 25 4.186 4.186 3.777 0.409 18901 6831 1 12 . 1 1 25 25 THR C C 25 172.720 172.720 171.651 1.069 18901 6832 1 12 . 1 1 25 25 THR CA C 25 60.798 60.798 59.890 0.908 18901 6833 1 12 . 1 1 25 25 THR CB C 25 72.021 72.021 71.463 0.558 18901 6834 1 12 . 1 1 25 25 THR H H 25 8.643 8.643 7.679 0.964 18901 6835 1 12 . 1 1 26 26 TRP N N 26 117.073 117.073 119.890 -2.817 18901 6836 1 12 . 1 1 26 26 TRP HA H 26 5.033 5.033 4.886 0.147 18901 6837 1 12 . 1 1 26 26 TRP C C 26 173.425 173.425 175.473 -2.048 18901 6838 1 12 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.257 0.430 18901 6839 1 12 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.231 -2.074 18901 6840 1 12 . 1 1 26 26 TRP H H 26 7.301 7.301 7.996 -0.695 18901 6841 1 12 . 1 1 27 27 GLU N N 27 115.563 115.563 120.801 -5.238 18901 6842 1 12 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.881 -0.059 18901 6843 1 12 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.484 -1.595 18901 6844 1 12 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.379 0.451 18901 6845 1 12 . 1 1 27 27 GLU H H 27 8.753 8.753 8.382 0.371 18901 6846 1 12 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.424 -0.085 18901 6847 1 12 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.330 4.218 18901 6848 1 12 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.639 1.502 18901 6849 1 12 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.530 -0.245 18901 6850 1 12 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.469 -1.489 18901 6851 1 12 . 1 1 29 29 PRO CB C 29 32.884 32.884 31.660 1.224 18901 6852 1 12 . 1 1 30 30 SER N N 30 110.838 110.838 121.060 -10.222 18901 6853 1 12 . 1 1 30 30 SER HA H 30 3.910 3.910 4.636 -0.726 18901 6854 1 12 . 1 1 30 30 SER CA C 30 56.967 56.967 59.523 -2.556 18901 6855 1 12 . 1 1 30 30 SER CB C 30 64.771 64.771 63.834 0.937 18901 6856 1 12 . 1 1 30 30 SER H H 30 8.317 8.317 8.906 -0.589 18901 6857 1 12 . 1 1 31 31 VAL N N 31 114.209 114.209 119.536 -5.327 18901 6858 1 12 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.122 0.086 18901 6859 1 12 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.557 -1.777 18901 6860 1 12 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.579 0.192 18901 6861 1 12 . 1 1 31 31 VAL H H 31 8.320 8.320 7.840 0.480 18901 6862 1 12 . 1 1 32 32 THR N N 32 119.600 119.600 112.965 6.635 18901 6863 1 12 . 1 1 32 32 THR HA H 32 4.179 4.179 4.493 -0.314 18901 6864 1 12 . 1 1 32 32 THR CA C 32 60.465 60.465 60.351 0.114 18901 6865 1 12 . 1 1 32 32 THR CB C 32 63.211 63.211 70.038 -6.827 18901 6866 1 12 . 1 1 32 32 THR H H 32 7.828 7.828 7.785 0.043 18901 6867 1 12 . 1 1 33 33 SER N N 33 115.967 115.967 118.397 -2.430 18901 6868 1 12 . 1 1 33 33 SER HA H 33 4.179 4.179 4.416 -0.237 18901 6869 1 12 . 1 1 33 33 SER C C 33 174.332 174.332 175.401 -1.069 18901 6870 1 12 . 1 1 33 33 SER CA C 33 60.428 60.428 59.513 0.915 18901 6871 1 12 . 1 1 33 33 SER CB C 33 62.209 62.209 63.450 -1.241 18901 6872 1 12 . 1 1 33 33 SER H H 33 8.292 8.292 8.505 -0.213 18901 6873 1 12 . 1 1 34 34 GLY N N 34 106.879 106.879 109.666 -2.787 18901 6874 1 12 . 1 1 34 34 GLY C C 34 173.709 173.709 173.507 0.202 18901 6875 1 12 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.797 -0.426 18901 6876 1 12 . 1 1 34 34 GLY H H 34 7.848 7.848 8.246 -0.398 18901 6877 1 12 . 1 1 35 35 LYS N N 35 122.205 122.205 120.696 1.509 18901 6878 1 12 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.498 -0.188 18901 6879 1 12 . 1 1 35 35 LYS C C 35 176.262 176.262 175.562 0.700 18901 6880 1 12 . 1 1 35 35 LYS CA C 35 55.671 55.671 54.894 0.777 18901 6881 1 12 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.633 1.614 18901 6882 1 12 . 1 1 35 35 LYS H H 35 8.628 8.628 8.375 0.253 18901 6883 1 12 . 1 1 36 36 ILE N N 36 120.178 120.178 122.780 -2.602 18901 6884 1 12 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.001 0.120 18901 6885 1 12 . 1 1 36 36 ILE C C 36 177.751 177.751 177.084 0.667 18901 6886 1 12 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.709 -3.788 18901 6887 1 12 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.651 -3.339 18901 6888 1 12 . 1 1 36 36 ILE H H 36 8.344 8.344 8.508 -0.164 18901 6889 1 12 . 1 1 37 37 ILE N N 37 122.285 122.285 121.292 0.993 18901 6890 1 12 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.562 -0.345 18901 6891 1 12 . 1 1 37 37 ILE C C 37 176.085 176.085 175.967 0.118 18901 6892 1 12 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.478 -0.536 18901 6893 1 12 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.328 -0.529 18901 6894 1 12 . 1 1 37 37 ILE H H 37 8.460 8.460 9.066 -0.606 18901 6895 1 12 . 1 1 38 38 GLU N N 38 116.489 116.489 118.610 -2.121 18901 6896 1 12 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.600 -0.431 18901 6897 1 12 . 1 1 38 38 GLU C C 38 171.864 171.864 174.002 -2.138 18901 6898 1 12 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.642 0.334 18901 6899 1 12 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.560 1.920 18901 6900 1 12 . 1 1 38 38 GLU H H 38 7.143 7.143 7.704 -0.561 18901 6901 1 12 . 1 1 39 39 TYR N N 39 118.418 118.418 117.214 1.204 18901 6902 1 12 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.118 0.577 18901 6903 1 12 . 1 1 39 39 TYR C C 39 176.190 176.190 174.955 1.235 18901 6904 1 12 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.542 -0.631 18901 6905 1 12 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.622 1.114 18901 6906 1 12 . 1 1 39 39 TYR H H 39 8.860 8.860 8.617 0.243 18901 6907 1 12 . 1 1 40 40 SER N N 40 111.613 111.613 112.628 -1.015 18901 6908 1 12 . 1 1 40 40 SER HA H 40 5.497 5.497 4.813 0.684 18901 6909 1 12 . 1 1 40 40 SER C C 40 172.888 172.888 172.142 0.746 18901 6910 1 12 . 1 1 40 40 SER CA C 40 58.729 58.729 56.350 2.379 18901 6911 1 12 . 1 1 40 40 SER CB C 40 69.596 69.596 66.611 2.985 18901 6912 1 12 . 1 1 40 40 SER H H 40 8.705 8.705 8.747 -0.042 18901 6913 1 12 . 1 1 41 41 VAL N N 41 119.202 119.202 120.684 -1.482 18901 6914 1 12 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.571 0.265 18901 6915 1 12 . 1 1 41 41 VAL C C 41 175.106 175.106 174.418 0.688 18901 6916 1 12 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.324 -0.658 18901 6917 1 12 . 1 1 41 41 VAL CB C 41 34.691 34.691 35.100 -0.409 18901 6918 1 12 . 1 1 41 41 VAL H H 41 8.428 8.428 8.621 -0.193 18901 6919 1 12 . 1 1 42 42 TYR N N 42 124.792 124.792 124.500 0.292 18901 6920 1 12 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.475 0.021 18901 6921 1 12 . 1 1 42 42 TYR C C 42 174.659 174.659 174.477 0.182 18901 6922 1 12 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.242 0.518 18901 6923 1 12 . 1 1 42 42 TYR CB C 42 42.396 42.396 40.921 1.475 18901 6924 1 12 . 1 1 42 42 TYR H H 42 9.773 9.773 8.814 0.959 18901 6925 1 12 . 1 1 43 43 LEU N N 43 123.210 123.210 122.991 0.219 18901 6926 1 12 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.681 0.572 18901 6927 1 12 . 1 1 43 43 LEU C C 43 176.296 176.296 175.033 1.263 18901 6928 1 12 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.473 0.873 18901 6929 1 12 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.791 1.758 18901 6930 1 12 . 1 1 43 43 LEU H H 43 9.368 9.368 8.861 0.507 18901 6931 1 12 . 1 1 44 44 ALA N N 44 127.556 127.556 128.785 -1.229 18901 6932 1 12 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.765 -0.441 18901 6933 1 12 . 1 1 44 44 ALA C C 44 178.318 178.318 176.514 1.804 18901 6934 1 12 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.075 -0.331 18901 6935 1 12 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.540 -0.891 18901 6936 1 12 . 1 1 44 44 ALA H H 44 8.366 8.366 8.176 0.190 18901 6937 1 12 . 1 1 45 45 ILE N N 45 119.672 119.672 119.207 0.465 18901 6938 1 12 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.068 -0.325 18901 6939 1 12 . 1 1 45 45 ILE C C 45 175.937 175.937 174.658 1.279 18901 6940 1 12 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.227 1.893 18901 6941 1 12 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.770 0.019 18901 6942 1 12 . 1 1 45 45 ILE H H 45 8.599 8.599 8.003 0.596 18901 6943 1 12 . 1 1 46 46 GLN N N 46 120.248 120.248 121.638 -1.390 18901 6944 1 12 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.224 0.183 18901 6945 1 12 . 1 1 46 46 GLN C C 46 176.355 176.355 174.869 1.486 18901 6946 1 12 . 1 1 46 46 GLN CA C 46 55.814 55.814 55.968 -0.154 18901 6947 1 12 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.768 2.072 18901 6948 1 12 . 1 1 46 46 GLN H H 46 8.207 8.207 8.240 -0.033 18901 6949 1 12 . 1 1 47 47 SER N N 47 117.541 117.541 118.397 -0.856 18901 6950 1 12 . 1 1 47 47 SER HA H 47 4.445 4.445 4.686 -0.241 18901 6951 1 12 . 1 1 47 47 SER C C 47 175.100 175.100 172.737 2.363 18901 6952 1 12 . 1 1 47 47 SER CA C 47 57.957 57.957 57.812 0.145 18901 6953 1 12 . 1 1 47 47 SER CB C 47 64.188 64.188 64.707 -0.519 18901 6954 1 12 . 1 1 47 47 SER H H 47 8.316 8.316 8.287 0.029 18901 6955 1 12 . 1 1 48 48 SER N N 48 116.421 116.421 115.680 0.741 18901 6956 1 12 . 1 1 48 48 SER HA H 48 4.446 4.446 4.597 -0.151 18901 6957 1 12 . 1 1 48 48 SER CA C 48 58.395 58.395 57.738 0.657 18901 6958 1 12 . 1 1 48 48 SER CB C 48 63.932 63.932 64.210 -0.278 18901 6959 1 12 . 1 1 48 48 SER H H 48 8.096 8.096 8.340 -0.244 18901 6960 1 12 . 1 1 49 49 GLN N N 49 120.755 120.755 119.348 1.407 18901 6961 1 12 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.050 0.261 18901 6962 1 12 . 1 1 49 49 GLN C C 49 176.420 176.420 173.904 2.516 18901 6963 1 12 . 1 1 49 49 GLN CA C 49 55.842 55.842 56.826 -0.984 18901 6964 1 12 . 1 1 49 49 GLN CB C 49 29.751 29.751 27.537 2.215 18901 6965 1 12 . 1 1 49 49 GLN H H 49 8.308 8.308 8.508 -0.200 18901 6966 1 12 . 1 1 50 50 ALA N N 50 124.199 124.199 125.099 -0.900 18901 6967 1 12 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.551 -0.239 18901 6968 1 12 . 1 1 50 50 ALA C C 50 178.375 178.375 175.310 3.065 18901 6969 1 12 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.707 0.913 18901 6970 1 12 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.319 -1.865 18901 6971 1 12 . 1 1 50 50 ALA H H 50 8.219 8.219 8.203 0.016 18901 6972 1 12 . 1 1 51 51 SER N N 51 113.652 113.652 113.428 0.224 18901 6973 1 12 . 1 1 51 51 SER HA H 51 4.307 4.307 4.561 -0.254 18901 6974 1 12 . 1 1 51 51 SER C C 51 175.739 175.739 173.356 2.383 18901 6975 1 12 . 1 1 51 51 SER CA C 51 52.695 52.695 58.386 -5.691 18901 6976 1 12 . 1 1 51 51 SER CB C 51 62.104 62.104 65.044 -2.940 18901 6977 1 12 . 1 1 51 51 SER H H 51 8.148 8.148 8.099 0.049 18901 6978 1 12 . 1 1 52 52 GLY N N 52 109.442 109.442 109.150 0.292 18901 6979 1 12 . 1 1 52 52 GLY C C 52 174.511 174.511 173.249 1.262 18901 6980 1 12 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.832 -0.434 18901 6981 1 12 . 1 1 52 52 GLY H H 52 8.267 8.267 8.675 -0.408 18901 6982 1 12 . 1 1 53 53 GLU N N 53 120.137 120.137 121.511 -1.374 18901 6983 1 12 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.828 -0.275 18901 6984 1 12 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.743 0.312 18901 6985 1 12 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.344 0.500 18901 6986 1 12 . 1 1 53 53 GLU H H 53 7.951 7.951 8.063 -0.112 18901 6987 1 12 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.436 -0.071 18901 6988 1 12 . 1 1 54 54 PRO C C 54 177.830 177.830 176.460 1.370 18901 6989 1 12 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.637 1.073 18901 6990 1 12 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.179 0.533 18901 6991 1 12 . 1 1 55 55 LYS N N 55 119.406 119.406 117.428 1.978 18901 6992 1 12 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.022 0.243 18901 6993 1 12 . 1 1 55 55 LYS C C 55 177.347 177.347 177.249 0.098 18901 6994 1 12 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.411 -0.714 18901 6995 1 12 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.077 1.169 18901 6996 1 12 . 1 1 55 55 LYS H H 55 8.315 8.315 8.685 -0.370 18901 6997 1 12 . 1 1 56 56 SER N N 56 114.624 114.624 113.051 1.573 18901 6998 1 12 . 1 1 56 56 SER HA H 56 4.564 4.564 3.969 0.595 18901 6999 1 12 . 1 1 56 56 SER C C 56 175.285 175.285 175.406 -0.121 18901 7000 1 12 . 1 1 56 56 SER CA C 56 60.090 60.090 61.154 -1.064 18901 7001 1 12 . 1 1 56 56 SER CB C 56 63.305 63.305 62.203 1.102 18901 7002 1 12 . 1 1 56 56 SER H H 56 8.090 8.090 8.437 -0.347 18901 7003 1 12 . 1 1 57 57 SER N N 57 116.016 116.016 116.134 -0.118 18901 7004 1 12 . 1 1 57 57 SER HA H 57 4.455 4.455 4.108 0.347 18901 7005 1 12 . 1 1 57 57 SER C C 57 174.988 174.988 173.962 1.026 18901 7006 1 12 . 1 1 57 57 SER CA C 57 58.332 58.332 60.558 -2.226 18901 7007 1 12 . 1 1 57 57 SER CB C 57 63.876 63.876 62.835 1.041 18901 7008 1 12 . 1 1 57 57 SER H H 57 8.224 8.224 8.514 -0.290 18901 7009 1 12 . 1 1 58 58 THR N N 58 116.090 116.090 114.874 1.216 18901 7010 1 12 . 1 1 58 58 THR HA H 58 4.602 4.602 4.668 -0.066 18901 7011 1 12 . 1 1 58 58 THR CA C 58 59.935 59.935 60.742 -0.807 18901 7012 1 12 . 1 1 58 58 THR CB C 58 69.773 69.773 70.633 -0.860 18901 7013 1 12 . 1 1 58 58 THR H H 58 7.939 7.939 7.885 0.054 18901 7014 1 12 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.496 -0.215 18901 7015 1 12 . 1 1 59 59 PRO C C 59 177.272 177.272 175.981 1.291 18901 7016 1 12 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.089 -0.013 18901 7017 1 12 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.492 2.286 18901 7018 1 12 . 1 1 60 60 ALA N N 60 122.319 122.319 126.059 -3.740 18901 7019 1 12 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.021 0.198 18901 7020 1 12 . 1 1 60 60 ALA C C 60 178.277 178.277 178.331 -0.054 18901 7021 1 12 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.686 -0.186 18901 7022 1 12 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.854 1.605 18901 7023 1 12 . 1 1 60 60 ALA H H 60 8.156 8.156 8.277 -0.121 18901 7024 1 12 . 1 1 61 61 GLN N N 61 117.680 117.680 122.565 -4.885 18901 7025 1 12 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.196 0.082 18901 7026 1 12 . 1 1 61 61 GLN C C 61 176.148 176.148 175.104 1.044 18901 7027 1 12 . 1 1 61 61 GLN CA C 61 55.525 55.525 56.050 -0.525 18901 7028 1 12 . 1 1 61 61 GLN CB C 61 30.044 30.044 27.835 2.209 18901 7029 1 12 . 1 1 61 61 GLN H H 61 8.016 8.016 8.715 -0.699 18901 7030 1 12 . 1 1 62 62 LEU N N 62 121.805 121.805 118.140 3.665 18901 7031 1 12 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.397 -0.268 18901 7032 1 12 . 1 1 62 62 LEU C C 62 176.202 176.202 174.689 1.513 18901 7033 1 12 . 1 1 62 62 LEU CA C 62 54.574 54.574 52.898 1.676 18901 7034 1 12 . 1 1 62 62 LEU CB C 62 43.290 43.290 44.424 -1.134 18901 7035 1 12 . 1 1 62 62 LEU H H 62 7.968 7.968 7.420 0.548 18901 7036 1 12 . 1 1 63 63 ALA N N 63 124.947 124.947 123.900 1.047 18901 7037 1 12 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.506 -0.010 18901 7038 1 12 . 1 1 63 63 ALA C C 63 176.252 176.252 175.851 0.401 18901 7039 1 12 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.029 -0.231 18901 7040 1 12 . 1 1 63 63 ALA CB C 63 20.646 20.646 19.922 0.725 18901 7041 1 12 . 1 1 63 63 ALA H H 63 8.434 8.434 8.043 0.391 18901 7042 1 12 . 1 1 64 64 PHE N N 64 117.099 117.099 121.485 -4.386 18901 7043 1 12 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.206 -0.122 18901 7044 1 12 . 1 1 64 64 PHE C C 64 176.403 176.403 174.795 1.608 18901 7045 1 12 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.342 2.391 18901 7046 1 12 . 1 1 64 64 PHE CB C 64 42.810 42.810 43.273 -0.462 18901 7047 1 12 . 1 1 64 64 PHE H H 64 8.446 8.446 8.352 0.094 18901 7048 1 12 . 1 1 65 65 MET N N 65 120.470 120.470 121.142 -0.672 18901 7049 1 12 . 1 1 65 65 MET HA H 65 4.902 4.902 4.856 0.046 18901 7050 1 12 . 1 1 65 65 MET CA C 65 53.984 53.984 54.300 -0.316 18901 7051 1 12 . 1 1 65 65 MET CB C 65 36.825 36.825 36.356 0.469 18901 7052 1 12 . 1 1 65 65 MET H H 65 9.050 9.050 9.164 -0.114 18901 7053 1 12 . 1 1 66 66 ARG N N 66 120.685 120.685 129.539 -8.854 18901 7054 1 12 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.745 -0.602 18901 7055 1 12 . 1 1 66 66 ARG C C 66 176.916 176.916 176.168 0.748 18901 7056 1 12 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.642 1.320 18901 7057 1 12 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.849 2.223 18901 7058 1 12 . 1 1 66 66 ARG H H 66 7.540 7.540 8.863 -1.323 18901 7059 1 12 . 1 1 67 67 VAL N N 67 117.677 117.677 119.673 -1.996 18901 7060 1 12 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.960 0.754 18901 7061 1 12 . 1 1 67 67 VAL C C 67 175.777 175.777 176.509 -0.732 18901 7062 1 12 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.520 -3.601 18901 7063 1 12 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.029 1.385 18901 7064 1 12 . 1 1 67 67 VAL H H 67 8.859 8.859 8.065 0.794 18901 7065 1 12 . 1 1 68 68 TYR N N 68 120.707 120.707 122.759 -2.052 18901 7066 1 12 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.400 0.377 18901 7067 1 12 . 1 1 68 68 TYR C C 68 173.712 173.712 174.066 -0.354 18901 7068 1 12 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.500 -1.195 18901 7069 1 12 . 1 1 68 68 TYR CB C 68 43.056 43.056 36.611 6.445 18901 7070 1 12 . 1 1 68 68 TYR H H 68 7.539 7.539 7.670 -0.131 18901 7071 1 12 . 1 1 69 69 CYS N N 69 127.927 127.927 124.563 3.364 18901 7072 1 12 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.593 0.476 18901 7073 1 12 . 1 1 69 69 CYS C C 69 174.094 174.094 173.086 1.008 18901 7074 1 12 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.895 -1.705 18901 7075 1 12 . 1 1 69 69 CYS CB C 69 27.990 27.990 27.593 0.397 18901 7076 1 12 . 1 1 69 69 CYS H H 69 7.601 7.601 8.280 -0.679 18901 7077 1 12 . 1 1 70 70 GLY N N 70 114.822 114.822 111.733 3.089 18901 7078 1 12 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.873 1.273 18901 7079 1 12 . 1 1 70 70 GLY H H 70 8.336 8.336 7.499 0.837 18901 7080 1 12 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.444 0.104 18901 7081 1 12 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.301 0.363 18901 7082 1 12 . 1 1 72 72 SER N N 72 112.451 112.451 117.800 -5.349 18901 7083 1 12 . 1 1 72 72 SER HA H 72 4.850 4.850 4.373 0.477 18901 7084 1 12 . 1 1 72 72 SER CA C 72 56.874 56.874 57.538 -0.664 18901 7085 1 12 . 1 1 72 72 SER CB C 72 63.248 63.248 63.125 0.123 18901 7086 1 12 . 1 1 72 72 SER H H 72 7.327 7.327 7.731 -0.404 18901 7087 1 12 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.489 -0.296 18901 7088 1 12 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.386 0.169 18901 7089 1 12 . 1 1 73 73 PRO CB C 73 32.236 32.236 31.337 0.899 18901 7090 1 12 . 1 1 74 74 SER N N 74 111.450 111.450 117.454 -6.004 18901 7091 1 12 . 1 1 74 74 SER HA H 74 3.907 3.907 4.317 -0.410 18901 7092 1 12 . 1 1 74 74 SER CA C 74 56.710 56.710 60.825 -4.115 18901 7093 1 12 . 1 1 74 74 SER CB C 74 64.647 64.647 62.047 2.600 18901 7094 1 12 . 1 1 74 74 SER H H 74 6.909 6.909 8.692 -1.783 18901 7095 1 12 . 1 1 75 75 CYS N N 75 124.103 124.103 119.624 4.479 18901 7096 1 12 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.609 -1.050 18901 7097 1 12 . 1 1 75 75 CYS C C 75 171.568 171.568 173.209 -1.641 18901 7098 1 12 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.704 3.496 18901 7099 1 12 . 1 1 75 75 CYS CB C 75 26.251 26.251 31.237 -4.986 18901 7100 1 12 . 1 1 75 75 CYS H H 75 6.017 6.017 8.066 -2.049 18901 7101 1 12 . 1 1 76 76 LEU N N 76 121.191 121.191 126.871 -5.680 18901 7102 1 12 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.566 0.257 18901 7103 1 12 . 1 1 76 76 LEU C C 76 176.786 176.786 175.195 1.591 18901 7104 1 12 . 1 1 76 76 LEU CA C 76 53.365 53.365 53.967 -0.602 18901 7105 1 12 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.539 1.687 18901 7106 1 12 . 1 1 76 76 LEU H H 76 8.015 8.015 8.452 -0.437 18901 7107 1 12 . 1 1 77 77 VAL N N 77 126.347 126.347 127.724 -1.377 18901 7108 1 12 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.239 0.013 18901 7109 1 12 . 1 1 77 77 VAL C C 77 175.529 175.529 174.830 0.699 18901 7110 1 12 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.564 0.087 18901 7111 1 12 . 1 1 77 77 VAL CB C 77 32.676 32.676 33.071 -0.395 18901 7112 1 12 . 1 1 77 77 VAL H H 77 9.084 9.084 7.978 1.106 18901 7113 1 12 . 1 1 78 78 GLN N N 78 124.566 124.566 128.233 -3.667 18901 7114 1 12 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.293 0.222 18901 7115 1 12 . 1 1 78 78 GLN C C 78 178.805 178.805 177.875 0.930 18901 7116 1 12 . 1 1 78 78 GLN CA C 78 56.916 56.916 57.133 -0.217 18901 7117 1 12 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.436 0.962 18901 7118 1 12 . 1 1 78 78 GLN H H 78 8.908 8.908 8.877 0.031 18901 7119 1 12 . 1 1 79 79 SER N N 79 116.974 116.974 120.706 -3.732 18901 7120 1 12 . 1 1 79 79 SER HA H 79 4.087 4.087 4.133 -0.046 18901 7121 1 12 . 1 1 79 79 SER C C 79 177.179 177.179 176.075 1.104 18901 7122 1 12 . 1 1 79 79 SER CA C 79 62.454 62.454 62.531 -0.077 18901 7123 1 12 . 1 1 79 79 SER CB C 79 62.787 62.787 62.944 -0.157 18901 7124 1 12 . 1 1 79 79 SER H H 79 8.458 8.458 8.776 -0.318 18901 7125 1 12 . 1 1 80 80 SER N N 80 114.734 114.734 116.477 -1.743 18901 7126 1 12 . 1 1 80 80 SER HA H 80 4.211 4.211 4.263 -0.052 18901 7127 1 12 . 1 1 80 80 SER C C 80 177.853 177.853 175.962 1.891 18901 7128 1 12 . 1 1 80 80 SER CA C 80 61.190 61.190 60.585 0.605 18901 7129 1 12 . 1 1 80 80 SER CB C 80 62.358 62.358 62.610 -0.252 18901 7130 1 12 . 1 1 80 80 SER H H 80 8.537 8.537 8.344 0.194 18901 7131 1 12 . 1 1 81 81 SER N N 81 117.137 117.137 116.654 0.483 18901 7132 1 12 . 1 1 81 81 SER HA H 81 4.455 4.455 4.343 0.112 18901 7133 1 12 . 1 1 81 81 SER C C 81 175.702 175.702 176.715 -1.013 18901 7134 1 12 . 1 1 81 81 SER CA C 81 61.433 61.433 60.481 0.952 18901 7135 1 12 . 1 1 81 81 SER CB C 81 63.130 63.130 63.361 -0.231 18901 7136 1 12 . 1 1 81 81 SER H H 81 7.514 7.514 7.802 -0.288 18901 7137 1 12 . 1 1 82 82 LEU N N 82 117.548 117.548 121.915 -4.367 18901 7138 1 12 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.084 -0.051 18901 7139 1 12 . 1 1 82 82 LEU C C 82 179.445 179.445 179.075 0.370 18901 7140 1 12 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.625 -0.923 18901 7141 1 12 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.608 0.180 18901 7142 1 12 . 1 1 82 82 LEU H H 82 7.629 7.629 7.464 0.165 18901 7143 1 12 . 1 1 83 83 SER N N 83 113.258 113.258 115.264 -2.006 18901 7144 1 12 . 1 1 83 83 SER HA H 83 4.214 4.214 4.245 -0.031 18901 7145 1 12 . 1 1 83 83 SER C C 83 175.256 175.256 175.459 -0.203 18901 7146 1 12 . 1 1 83 83 SER CA C 83 61.192 61.192 60.775 0.417 18901 7147 1 12 . 1 1 83 83 SER CB C 83 63.544 63.544 62.910 0.634 18901 7148 1 12 . 1 1 83 83 SER H H 83 7.805 7.805 8.351 -0.546 18901 7149 1 12 . 1 1 84 84 ASN N N 84 116.565 116.565 117.904 -1.339 18901 7150 1 12 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.914 0.008 18901 7151 1 12 . 1 1 84 84 ASN C C 84 175.063 175.063 173.758 1.305 18901 7152 1 12 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.094 -0.422 18901 7153 1 12 . 1 1 84 84 ASN CB C 84 39.691 39.691 40.350 -0.659 18901 7154 1 12 . 1 1 84 84 ASN H H 84 7.612 7.612 7.660 -0.048 18901 7155 1 12 . 1 1 85 85 ALA N N 85 119.819 119.819 122.888 -3.069 18901 7156 1 12 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.536 -0.287 18901 7157 1 12 . 1 1 85 85 ALA C C 85 178.113 178.113 176.822 1.291 18901 7158 1 12 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.653 0.412 18901 7159 1 12 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.626 0.194 18901 7160 1 12 . 1 1 85 85 ALA H H 85 7.558 7.558 7.625 -0.067 18901 7161 1 12 . 1 1 86 86 HIS N N 86 118.388 118.388 120.438 -2.050 18901 7162 1 12 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.745 -0.340 18901 7163 1 12 . 1 1 86 86 HIS C C 86 175.333 175.333 173.410 1.923 18901 7164 1 12 . 1 1 86 86 HIS CA C 86 55.619 55.619 54.416 1.203 18901 7165 1 12 . 1 1 86 86 HIS CB C 86 29.198 29.198 33.261 -4.064 18901 7166 1 12 . 1 1 86 86 HIS H H 86 8.280 8.280 8.669 -0.389 18901 7167 1 12 . 1 1 87 87 ILE N N 87 126.618 126.618 121.498 5.120 18901 7168 1 12 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.253 -0.198 18901 7169 1 12 . 1 1 87 87 ILE C C 87 174.718 174.718 175.725 -1.007 18901 7170 1 12 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.850 0.577 18901 7171 1 12 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.974 -1.532 18901 7172 1 12 . 1 1 87 87 ILE H H 87 7.873 7.873 8.005 -0.132 18901 7173 1 12 . 1 1 88 88 ASP N N 88 124.684 124.684 126.909 -2.225 18901 7174 1 12 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.703 -0.191 18901 7175 1 12 . 1 1 88 88 ASP C C 88 176.506 176.506 176.299 0.207 18901 7176 1 12 . 1 1 88 88 ASP CA C 88 53.237 53.237 52.493 0.744 18901 7177 1 12 . 1 1 88 88 ASP CB C 88 43.761 43.761 39.765 3.996 18901 7178 1 12 . 1 1 88 88 ASP H H 88 8.572 8.572 8.846 -0.274 18901 7179 1 12 . 1 1 89 89 TYR N N 89 122.959 122.959 119.011 3.948 18901 7180 1 12 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.395 -0.016 18901 7181 1 12 . 1 1 89 89 TYR C C 89 176.631 176.631 176.862 -0.231 18901 7182 1 12 . 1 1 89 89 TYR CA C 89 58.629 58.629 59.189 -0.560 18901 7183 1 12 . 1 1 89 89 TYR CB C 89 38.462 38.462 37.528 0.934 18901 7184 1 12 . 1 1 89 89 TYR H H 89 8.533 8.533 7.472 1.061 18901 7185 1 12 . 1 1 90 90 THR N N 90 115.232 115.232 110.708 4.524 18901 7186 1 12 . 1 1 90 90 THR HA H 90 3.974 3.974 4.152 -0.178 18901 7187 1 12 . 1 1 90 90 THR C C 90 176.298 176.298 175.091 1.207 18901 7188 1 12 . 1 1 90 90 THR CA C 90 65.610 65.610 64.154 1.456 18901 7189 1 12 . 1 1 90 90 THR CB C 90 68.758 68.758 68.820 -0.062 18901 7190 1 12 . 1 1 90 90 THR H H 90 8.024 8.024 8.252 -0.228 18901 7191 1 12 . 1 1 91 91 THR N N 91 112.253 112.253 115.067 -2.814 18901 7192 1 12 . 1 1 91 91 THR HA H 91 4.290 4.290 4.488 -0.198 18901 7193 1 12 . 1 1 91 91 THR C C 91 174.644 174.644 173.873 0.771 18901 7194 1 12 . 1 1 91 91 THR CA C 91 61.288 61.288 63.114 -1.826 18901 7195 1 12 . 1 1 91 91 THR CB C 91 69.418 69.418 70.946 -1.528 18901 7196 1 12 . 1 1 91 91 THR H H 91 8.013 8.013 8.079 -0.066 18901 7197 1 12 . 1 1 92 92 LYS N N 92 121.833 121.833 120.170 1.663 18901 7198 1 12 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.833 -0.374 18901 7199 1 12 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.802 0.630 18901 7200 1 12 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.483 -6.060 18901 7201 1 12 . 1 1 92 92 LYS H H 92 7.883 7.883 8.078 -0.195 18901 7202 1 12 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.373 -0.163 18901 7203 1 12 . 1 1 93 93 PRO C C 93 176.775 176.775 174.911 1.864 18901 7204 1 12 . 1 1 93 93 PRO CA C 93 63.385 63.385 63.472 -0.087 18901 7205 1 12 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.341 1.873 18901 7206 1 12 . 1 1 94 94 ALA N N 94 122.487 122.487 125.264 -2.777 18901 7207 1 12 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.280 -0.415 18901 7208 1 12 . 1 1 94 94 ALA C C 94 175.790 175.790 176.583 -0.793 18901 7209 1 12 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.669 0.343 18901 7210 1 12 . 1 1 94 94 ALA CB C 94 22.840 22.840 23.012 -0.172 18901 7211 1 12 . 1 1 94 94 ALA H H 94 8.072 8.072 7.709 0.363 18901 7212 1 12 . 1 1 95 95 ILE N N 95 120.526 120.526 122.653 -2.127 18901 7213 1 12 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.255 0.036 18901 7214 1 12 . 1 1 95 95 ILE C C 95 175.063 175.063 175.456 -0.393 18901 7215 1 12 . 1 1 95 95 ILE CA C 95 60.430 60.430 62.451 -2.021 18901 7216 1 12 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.170 1.486 18901 7217 1 12 . 1 1 95 95 ILE H H 95 8.099 8.099 8.859 -0.760 18901 7218 1 12 . 1 1 96 96 ILE N N 96 126.053 126.053 114.815 11.238 18901 7219 1 12 . 1 1 96 96 ILE HA H 96 4.954 4.954 3.888 1.066 18901 7220 1 12 . 1 1 96 96 ILE C C 96 175.609 175.609 174.565 1.044 18901 7221 1 12 . 1 1 96 96 ILE CA C 96 60.290 60.290 62.263 -1.973 18901 7222 1 12 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.046 2.853 18901 7223 1 12 . 1 1 96 96 ILE H H 96 9.393 9.393 7.617 1.776 18901 7224 1 12 . 1 1 97 97 PHE N N 97 120.455 120.455 121.426 -0.971 18901 7225 1 12 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.109 0.908 18901 7226 1 12 . 1 1 97 97 PHE C C 97 177.044 177.044 174.948 2.096 18901 7227 1 12 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.738 -0.969 18901 7228 1 12 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.074 0.612 18901 7229 1 12 . 1 1 97 97 PHE H H 97 8.626 8.626 8.055 0.571 18901 7230 1 12 . 1 1 98 98 ARG N N 98 117.253 117.253 122.084 -4.831 18901 7231 1 12 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.674 0.767 18901 7232 1 12 . 1 1 98 98 ARG C C 98 176.125 176.125 174.536 1.589 18901 7233 1 12 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.588 0.375 18901 7234 1 12 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.596 5.025 18901 7235 1 12 . 1 1 98 98 ARG H H 98 9.041 9.041 8.855 0.186 18901 7236 1 12 . 1 1 99 99 ILE N N 99 120.894 120.894 125.276 -4.382 18901 7237 1 12 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.607 0.412 18901 7238 1 12 . 1 1 99 99 ILE C C 99 174.486 174.486 173.997 0.489 18901 7239 1 12 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.347 0.587 18901 7240 1 12 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.053 1.362 18901 7241 1 12 . 1 1 99 99 ILE H H 99 8.499 8.499 7.762 0.737 18901 7242 1 12 . 1 1 100 100 ALA N N 100 127.368 127.368 128.284 -0.916 18901 7243 1 12 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.600 0.288 18901 7244 1 12 . 1 1 100 100 ALA C C 100 175.044 175.044 174.679 0.365 18901 7245 1 12 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.217 1.139 18901 7246 1 12 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.410 2.180 18901 7247 1 12 . 1 1 100 100 ALA H H 100 8.779 8.779 8.273 0.506 18901 7248 1 12 . 1 1 101 101 ALA N N 101 123.472 123.472 122.483 0.989 18901 7249 1 12 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.980 2.138 18901 7250 1 12 . 1 1 101 101 ALA C C 101 174.314 174.314 177.196 -2.882 18901 7251 1 12 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.539 0.029 18901 7252 1 12 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.671 5.950 18901 7253 1 12 . 1 1 101 101 ALA H H 101 9.955 9.955 7.985 1.970 18901 7254 1 12 . 1 1 102 102 ARG N N 102 119.295 119.295 124.897 -5.602 18901 7255 1 12 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.378 0.213 18901 7256 1 12 . 1 1 102 102 ARG C C 102 176.649 176.649 175.231 1.418 18901 7257 1 12 . 1 1 102 102 ARG CA C 102 54.071 54.071 56.381 -2.310 18901 7258 1 12 . 1 1 102 102 ARG CB C 102 33.170 33.170 30.398 2.772 18901 7259 1 12 . 1 1 102 102 ARG H H 102 8.474 8.474 7.957 0.517 18901 7260 1 12 . 1 1 103 103 ASN N N 103 124.198 124.198 121.906 2.292 18901 7261 1 12 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.334 0.120 18901 7262 1 12 . 1 1 103 103 ASN C C 103 176.327 176.327 175.596 0.731 18901 7263 1 12 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.028 0.276 18901 7264 1 12 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.704 -1.045 18901 7265 1 12 . 1 1 103 103 ASN H H 103 7.816 7.816 8.176 -0.360 18901 7266 1 12 . 1 1 104 104 GLU N N 104 115.270 115.270 119.160 -3.890 18901 7267 1 12 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.159 -0.306 18901 7268 1 12 . 1 1 104 104 GLU C C 104 177.716 177.716 177.729 -0.013 18901 7269 1 12 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.765 1.140 18901 7270 1 12 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.715 -0.551 18901 7271 1 12 . 1 1 104 104 GLU H H 104 9.416 9.416 8.354 1.062 18901 7272 1 12 . 1 1 105 105 LYS N N 105 116.576 116.576 117.214 -0.638 18901 7273 1 12 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.280 -0.018 18901 7274 1 12 . 1 1 105 105 LYS C C 105 177.667 177.667 177.078 0.589 18901 7275 1 12 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.586 0.469 18901 7276 1 12 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.550 0.500 18901 7277 1 12 . 1 1 105 105 LYS H H 105 7.737 7.737 8.110 -0.373 18901 7278 1 12 . 1 1 106 106 GLY N N 106 104.067 104.067 107.323 -3.256 18901 7279 1 12 . 1 1 106 106 GLY C C 106 172.796 172.796 173.904 -1.108 18901 7280 1 12 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.618 1.298 18901 7281 1 12 . 1 1 106 106 GLY H H 106 7.906 7.906 8.191 -0.285 18901 7282 1 12 . 1 1 107 107 TYR N N 107 117.296 117.296 123.137 -5.841 18901 7283 1 12 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.394 0.355 18901 7284 1 12 . 1 1 107 107 TYR C C 107 178.772 178.772 176.301 2.471 18901 7285 1 12 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.467 1.333 18901 7286 1 12 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.014 4.552 18901 7287 1 12 . 1 1 107 107 TYR H H 107 8.378 8.378 9.010 -0.632 18901 7288 1 12 . 1 1 108 108 GLY N N 108 107.379 107.379 111.550 -4.171 18901 7289 1 12 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.606 -0.344 18901 7290 1 12 . 1 1 108 108 GLY H H 108 8.651 8.651 7.929 0.722 18901 7291 1 12 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.360 -0.415 18901 7292 1 12 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.388 0.483 18901 7293 1 12 . 1 1 110 110 ALA C C 110 179.404 179.404 176.735 2.669 18901 7294 1 12 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.876 -1.608 18901 7295 1 12 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.159 -1.044 18901 7296 1 12 . 1 1 111 111 THR N N 111 118.432 118.432 120.813 -2.381 18901 7297 1 12 . 1 1 111 111 THR HA H 111 4.396 4.396 4.169 0.227 18901 7298 1 12 . 1 1 111 111 THR C C 111 173.449 173.449 174.105 -0.656 18901 7299 1 12 . 1 1 111 111 THR CA C 111 61.721 61.721 63.074 -1.353 18901 7300 1 12 . 1 1 111 111 THR CB C 111 69.967 69.967 68.346 1.621 18901 7301 1 12 . 1 1 111 111 THR H H 111 8.810 8.810 8.622 0.188 18901 7302 1 12 . 1 1 112 112 GLN N N 112 127.590 127.590 129.647 -2.057 18901 7303 1 12 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.647 0.690 18901 7304 1 12 . 1 1 112 112 GLN C C 112 175.442 175.442 175.629 -0.187 18901 7305 1 12 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.170 -0.367 18901 7306 1 12 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.299 3.454 18901 7307 1 12 . 1 1 112 112 GLN H H 112 8.698 8.698 8.085 0.613 18901 7308 1 12 . 1 1 113 113 VAL N N 113 123.646 123.646 121.325 2.321 18901 7309 1 12 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.325 0.249 18901 7310 1 12 . 1 1 113 113 VAL C C 113 173.891 173.891 174.516 -0.625 18901 7311 1 12 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.222 -0.938 18901 7312 1 12 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.340 2.724 18901 7313 1 12 . 1 1 113 113 VAL H H 113 9.101 9.101 7.805 1.296 18901 7314 1 12 . 1 1 114 114 ARG N N 114 122.944 122.944 120.774 2.170 18901 7315 1 12 . 1 1 114 114 ARG HA H 114 4.933 4.933 4.735 0.198 18901 7316 1 12 . 1 1 114 114 ARG C C 114 175.683 175.683 174.606 1.077 18901 7317 1 12 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.960 -0.211 18901 7318 1 12 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.637 -0.584 18901 7319 1 12 . 1 1 114 114 ARG H H 114 8.434 8.434 8.332 0.102 18901 7320 1 12 . 1 1 115 115 TRP N N 115 126.067 126.067 124.740 1.327 18901 7321 1 12 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.948 0.309 18901 7322 1 12 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.280 -0.759 18901 7323 1 12 . 1 1 115 115 TRP CB C 115 30.048 30.048 30.310 -0.262 18901 7324 1 12 . 1 1 115 115 TRP H H 115 9.944 9.944 8.811 1.133 18901 7325 1 12 . 1 1 116 116 LEU N N 116 130.031 130.031 126.039 3.992 18901 7326 1 12 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.729 -0.466 18901 7327 1 12 . 1 1 116 116 LEU CA C 116 55.697 55.697 53.393 2.304 18901 7328 1 12 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.396 0.331 18901 7329 1 12 . 1 1 116 116 LEU H H 116 8.722 8.722 8.509 0.213 18901 7330 1 12 . 1 1 117 117 GLN N N 117 124.737 124.737 116.467 8.270 18901 7331 1 12 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.971 0.077 18901 7332 1 12 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.382 1.054 18901 7333 1 12 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.934 3.733 18901 7334 1 12 . 1 1 117 117 GLN H H 117 7.453 7.453 7.630 -0.177 18901 7335 1 12 . 1 1 118 118 GLU N N 118 118.531 118.531 120.856 -2.325 18901 7336 1 12 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.173 -0.778 18901 7337 1 12 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.430 -1.748 18901 7338 1 12 . 1 1 118 118 GLU CB C 118 29.372 29.372 27.942 1.430 18901 7339 1 12 . 1 1 118 118 GLU H H 118 7.891 7.891 8.042 -0.151 18901 7340 1 12 . 1 1 119 119 THR N N 119 121.831 121.831 111.718 10.113 18901 7341 1 12 . 1 1 119 119 THR HA H 119 4.267 4.267 4.525 -0.258 18901 7342 1 12 . 1 1 119 119 THR CA C 119 55.604 55.604 60.113 -4.509 18901 7343 1 12 . 1 1 119 119 THR CB C 119 69.285 69.285 70.885 -1.600 18901 7344 1 12 . 1 1 119 119 THR H H 119 7.892 7.892 7.655 0.237 18901 7345 1 13 . 1 1 6 6 PHE N N 6 117.872 117.872 120.066 -2.194 18901 7346 1 13 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.543 0.247 18901 7347 1 13 . 1 1 6 6 PHE CA C 6 56.026 56.026 55.452 0.574 18901 7348 1 13 . 1 1 6 6 PHE CB C 6 38.260 38.260 38.943 -0.683 18901 7349 1 13 . 1 1 6 6 PHE H H 6 7.818 7.818 8.434 -0.616 18901 7350 1 13 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.798 -58.612 18901 7351 1 13 . 1 1 8 8 GLY N N 8 101.657 101.657 108.210 -6.553 18901 7352 1 13 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.547 -0.371 18901 7353 1 13 . 1 1 8 8 GLY H H 8 7.927 7.927 8.509 -0.582 18901 7354 1 13 . 1 1 9 9 ALA N N 9 120.767 120.767 122.603 -1.836 18901 7355 1 13 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.188 0.677 18901 7356 1 13 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.686 -1.488 18901 7357 1 13 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.956 0.981 18901 7358 1 13 . 1 1 9 9 ALA H H 9 8.235 8.235 8.147 0.088 18901 7359 1 13 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.870 -0.513 18901 7360 1 13 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.995 0.317 18901 7361 1 13 . 1 1 10 10 PRO CB C 10 32.811 32.811 31.939 0.872 18901 7362 1 13 . 1 1 11 11 CYS N N 11 114.905 114.905 121.764 -6.859 18901 7363 1 13 . 1 1 11 11 CYS HA H 11 4.938 4.938 5.113 -0.175 18901 7364 1 13 . 1 1 11 11 CYS C C 11 172.706 172.706 174.331 -1.625 18901 7365 1 13 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.354 -0.516 18901 7366 1 13 . 1 1 11 11 CYS CB C 11 32.139 32.139 32.141 -0.002 18901 7367 1 13 . 1 1 11 11 CYS H H 11 8.084 8.084 7.929 0.155 18901 7368 1 13 . 1 1 12 12 ALA N N 12 120.844 120.844 121.645 -0.801 18901 7369 1 13 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.936 -0.009 18901 7370 1 13 . 1 1 12 12 ALA C C 12 176.005 176.005 176.626 -0.621 18901 7371 1 13 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.263 -0.499 18901 7372 1 13 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.860 -0.264 18901 7373 1 13 . 1 1 12 12 ALA H H 12 8.535 8.535 8.816 -0.281 18901 7374 1 13 . 1 1 13 13 ILE N N 13 116.800 116.800 118.718 -1.918 18901 7375 1 13 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.716 -0.263 18901 7376 1 13 . 1 1 13 13 ILE C C 13 177.506 177.506 176.695 0.811 18901 7377 1 13 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.251 0.084 18901 7378 1 13 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.699 -0.831 18901 7379 1 13 . 1 1 13 13 ILE H H 13 7.802 7.802 7.898 -0.096 18901 7380 1 13 . 1 1 14 14 LYS N N 14 129.030 129.030 127.885 1.145 18901 7381 1 13 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.746 -0.149 18901 7382 1 13 . 1 1 14 14 LYS C C 14 175.508 175.508 174.736 0.772 18901 7383 1 13 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.724 0.828 18901 7384 1 13 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.487 -1.199 18901 7385 1 13 . 1 1 14 14 LYS H H 14 9.249 9.249 8.626 0.623 18901 7386 1 13 . 1 1 15 15 ILE N N 15 121.333 121.333 122.387 -1.054 18901 7387 1 13 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.678 -0.094 18901 7388 1 13 . 1 1 15 15 ILE C C 15 175.983 175.983 175.353 0.630 18901 7389 1 13 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.549 0.259 18901 7390 1 13 . 1 1 15 15 ILE CB C 15 40.620 40.620 39.002 1.618 18901 7391 1 13 . 1 1 15 15 ILE H H 15 8.231 8.231 8.610 -0.379 18901 7392 1 13 . 1 1 16 16 SER N N 16 120.251 120.251 123.658 -3.407 18901 7393 1 13 . 1 1 16 16 SER HA H 16 4.933 4.933 4.654 0.279 18901 7394 1 13 . 1 1 16 16 SER C C 16 173.725 173.725 173.623 0.102 18901 7395 1 13 . 1 1 16 16 SER CA C 16 56.656 56.656 58.031 -1.375 18901 7396 1 13 . 1 1 16 16 SER CB C 16 65.750 65.750 63.652 2.098 18901 7397 1 13 . 1 1 16 16 SER H H 16 8.694 8.694 8.673 0.021 18901 7398 1 13 . 1 1 17 17 LYS N N 17 124.155 124.155 129.114 -4.959 18901 7399 1 13 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.459 0.201 18901 7400 1 13 . 1 1 17 17 LYS C C 17 175.815 175.815 176.240 -0.425 18901 7401 1 13 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.406 0.869 18901 7402 1 13 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.715 0.851 18901 7403 1 13 . 1 1 17 17 LYS H H 17 8.985 8.985 8.759 0.226 18901 7404 1 13 . 1 1 18 18 SER N N 18 121.663 121.663 120.991 0.672 18901 7405 1 13 . 1 1 18 18 SER HA H 18 5.076 5.076 5.103 -0.027 18901 7406 1 13 . 1 1 18 18 SER CA C 18 56.676 56.676 56.029 0.647 18901 7407 1 13 . 1 1 18 18 SER CB C 18 64.993 64.993 64.494 0.499 18901 7408 1 13 . 1 1 18 18 SER H H 18 8.555 8.555 8.780 -0.225 18901 7409 1 13 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.249 0.085 18901 7410 1 13 . 1 1 19 19 PRO C C 19 177.406 177.406 177.879 -0.473 18901 7411 1 13 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.410 0.079 18901 7412 1 13 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.810 0.255 18901 7413 1 13 . 1 1 20 20 ASP N N 20 110.573 110.573 116.921 -6.348 18901 7414 1 13 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.429 0.250 18901 7415 1 13 . 1 1 20 20 ASP C C 20 176.667 176.667 177.089 -0.422 18901 7416 1 13 . 1 1 20 20 ASP CA C 20 53.558 53.558 56.635 -3.077 18901 7417 1 13 . 1 1 20 20 ASP CB C 20 41.423 41.423 40.910 0.513 18901 7418 1 13 . 1 1 20 20 ASP H H 20 8.019 8.019 8.512 -0.493 18901 7419 1 13 . 1 1 21 21 GLY N N 21 107.592 107.592 104.993 2.599 18901 7420 1 13 . 1 1 21 21 GLY C C 21 172.365 172.365 172.309 0.056 18901 7421 1 13 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.240 0.490 18901 7422 1 13 . 1 1 21 21 GLY H H 21 7.623 7.623 7.404 0.219 18901 7423 1 13 . 1 1 22 22 ALA N N 22 123.764 123.764 124.757 -0.993 18901 7424 1 13 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.234 -0.447 18901 7425 1 13 . 1 1 22 22 ALA C C 22 175.801 175.801 175.263 0.538 18901 7426 1 13 . 1 1 22 22 ALA CA C 22 50.779 50.779 51.432 -0.653 18901 7427 1 13 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.337 -0.203 18901 7428 1 13 . 1 1 22 22 ALA H H 22 8.704 8.704 8.062 0.642 18901 7429 1 13 . 1 1 23 23 HIS N N 23 120.666 120.666 123.965 -3.299 18901 7430 1 13 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.460 0.521 18901 7431 1 13 . 1 1 23 23 HIS C C 23 174.199 174.199 174.425 -0.226 18901 7432 1 13 . 1 1 23 23 HIS CA C 23 54.267 54.267 57.094 -2.827 18901 7433 1 13 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.390 -0.400 18901 7434 1 13 . 1 1 23 23 HIS H H 23 9.088 9.088 8.841 0.247 18901 7435 1 13 . 1 1 24 24 LEU N N 24 127.467 127.467 124.985 2.482 18901 7436 1 13 . 1 1 24 24 LEU HA H 24 5.180 5.180 5.200 -0.020 18901 7437 1 13 . 1 1 24 24 LEU C C 24 176.430 176.430 176.013 0.417 18901 7438 1 13 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.164 2.364 18901 7439 1 13 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.322 0.635 18901 7440 1 13 . 1 1 24 24 LEU H H 24 8.702 8.702 8.395 0.307 18901 7441 1 13 . 1 1 25 25 THR N N 25 111.459 111.459 112.079 -0.620 18901 7442 1 13 . 1 1 25 25 THR HA H 25 4.186 4.186 3.985 0.201 18901 7443 1 13 . 1 1 25 25 THR C C 25 172.720 172.720 171.987 0.733 18901 7444 1 13 . 1 1 25 25 THR CA C 25 60.798 60.798 60.224 0.574 18901 7445 1 13 . 1 1 25 25 THR CB C 25 72.021 72.021 71.540 0.481 18901 7446 1 13 . 1 1 25 25 THR H H 25 8.643 8.643 8.391 0.252 18901 7447 1 13 . 1 1 26 26 TRP N N 26 117.073 117.073 117.201 -0.128 18901 7448 1 13 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.326 -0.293 18901 7449 1 13 . 1 1 26 26 TRP C C 26 173.425 173.425 174.471 -1.046 18901 7450 1 13 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.176 0.511 18901 7451 1 13 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.394 -1.237 18901 7452 1 13 . 1 1 26 26 TRP H H 26 7.301 7.301 7.481 -0.180 18901 7453 1 13 . 1 1 27 27 GLU N N 27 115.563 115.563 120.126 -4.563 18901 7454 1 13 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.945 -0.123 18901 7455 1 13 . 1 1 27 27 GLU CA C 27 52.889 52.889 54.023 -1.134 18901 7456 1 13 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.360 0.470 18901 7457 1 13 . 1 1 27 27 GLU H H 27 8.753 8.753 8.931 -0.178 18901 7458 1 13 . 1 1 28 28 PRO HA H 28 4.339 4.339 5.089 -0.750 18901 7459 1 13 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.242 4.305 18901 7460 1 13 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.332 0.809 18901 7461 1 13 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.544 -0.259 18901 7462 1 13 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.654 -0.674 18901 7463 1 13 . 1 1 29 29 PRO CB C 29 32.884 32.884 33.026 -0.142 18901 7464 1 13 . 1 1 30 30 SER N N 30 110.838 110.838 114.868 -4.030 18901 7465 1 13 . 1 1 30 30 SER HA H 30 3.910 3.910 4.183 -0.273 18901 7466 1 13 . 1 1 30 30 SER CA C 30 56.967 56.967 58.262 -1.295 18901 7467 1 13 . 1 1 30 30 SER CB C 30 64.771 64.771 64.332 0.439 18901 7468 1 13 . 1 1 30 30 SER H H 30 8.317 8.317 8.343 -0.026 18901 7469 1 13 . 1 1 31 31 VAL N N 31 114.209 114.209 123.129 -8.920 18901 7470 1 13 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.058 0.150 18901 7471 1 13 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.832 -2.052 18901 7472 1 13 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.982 0.789 18901 7473 1 13 . 1 1 31 31 VAL H H 31 8.320 8.320 8.488 -0.168 18901 7474 1 13 . 1 1 32 32 THR N N 32 119.600 119.600 111.551 8.049 18901 7475 1 13 . 1 1 32 32 THR HA H 32 4.179 4.179 4.497 -0.318 18901 7476 1 13 . 1 1 32 32 THR CA C 32 60.465 60.465 60.545 -0.080 18901 7477 1 13 . 1 1 32 32 THR CB C 32 63.211 63.211 70.789 -7.578 18901 7478 1 13 . 1 1 32 32 THR H H 32 7.828 7.828 7.403 0.425 18901 7479 1 13 . 1 1 33 33 SER N N 33 115.967 115.967 116.033 -0.066 18901 7480 1 13 . 1 1 33 33 SER HA H 33 4.179 4.179 4.173 0.006 18901 7481 1 13 . 1 1 33 33 SER C C 33 174.332 174.332 175.805 -1.473 18901 7482 1 13 . 1 1 33 33 SER CA C 33 60.428 60.428 59.911 0.517 18901 7483 1 13 . 1 1 33 33 SER CB C 33 62.209 62.209 62.914 -0.705 18901 7484 1 13 . 1 1 33 33 SER H H 33 8.292 8.292 8.441 -0.149 18901 7485 1 13 . 1 1 34 34 GLY N N 34 106.879 106.879 110.619 -3.740 18901 7486 1 13 . 1 1 34 34 GLY C C 34 173.709 173.709 173.916 -0.207 18901 7487 1 13 . 1 1 34 34 GLY CA C 34 44.371 44.371 45.159 -0.788 18901 7488 1 13 . 1 1 34 34 GLY H H 34 7.848 7.848 7.996 -0.148 18901 7489 1 13 . 1 1 35 35 LYS N N 35 122.205 122.205 121.041 1.164 18901 7490 1 13 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.490 -0.180 18901 7491 1 13 . 1 1 35 35 LYS C C 35 176.262 176.262 175.488 0.774 18901 7492 1 13 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.233 0.438 18901 7493 1 13 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.904 1.343 18901 7494 1 13 . 1 1 35 35 LYS H H 35 8.628 8.628 8.387 0.241 18901 7495 1 13 . 1 1 36 36 ILE N N 36 120.178 120.178 120.447 -0.269 18901 7496 1 13 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.038 0.083 18901 7497 1 13 . 1 1 36 36 ILE C C 36 177.751 177.751 177.117 0.634 18901 7498 1 13 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.471 -3.550 18901 7499 1 13 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.450 -3.138 18901 7500 1 13 . 1 1 36 36 ILE H H 36 8.344 8.344 8.253 0.091 18901 7501 1 13 . 1 1 37 37 ILE N N 37 122.285 122.285 120.554 1.731 18901 7502 1 13 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.543 -0.326 18901 7503 1 13 . 1 1 37 37 ILE C C 37 176.085 176.085 175.564 0.521 18901 7504 1 13 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.018 -0.076 18901 7505 1 13 . 1 1 37 37 ILE CB C 37 39.799 39.799 39.999 -0.200 18901 7506 1 13 . 1 1 37 37 ILE H H 37 8.460 8.460 8.936 -0.476 18901 7507 1 13 . 1 1 38 38 GLU N N 38 116.489 116.489 117.656 -1.167 18901 7508 1 13 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.653 -0.484 18901 7509 1 13 . 1 1 38 38 GLU C C 38 171.864 171.864 173.707 -1.843 18901 7510 1 13 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.999 -0.023 18901 7511 1 13 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.232 2.248 18901 7512 1 13 . 1 1 38 38 GLU H H 38 7.143 7.143 7.670 -0.527 18901 7513 1 13 . 1 1 39 39 TYR N N 39 118.418 118.418 118.151 0.267 18901 7514 1 13 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.855 0.840 18901 7515 1 13 . 1 1 39 39 TYR C C 39 176.190 176.190 173.678 2.512 18901 7516 1 13 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.606 -0.695 18901 7517 1 13 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.123 0.613 18901 7518 1 13 . 1 1 39 39 TYR H H 39 8.860 8.860 8.486 0.374 18901 7519 1 13 . 1 1 40 40 SER N N 40 111.613 111.613 112.792 -1.179 18901 7520 1 13 . 1 1 40 40 SER HA H 40 5.497 5.497 4.272 1.225 18901 7521 1 13 . 1 1 40 40 SER C C 40 172.888 172.888 172.038 0.850 18901 7522 1 13 . 1 1 40 40 SER CA C 40 58.729 58.729 56.289 2.440 18901 7523 1 13 . 1 1 40 40 SER CB C 40 69.596 69.596 64.639 4.957 18901 7524 1 13 . 1 1 40 40 SER H H 40 8.705 8.705 8.656 0.049 18901 7525 1 13 . 1 1 41 41 VAL N N 41 119.202 119.202 122.771 -3.569 18901 7526 1 13 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.333 0.503 18901 7527 1 13 . 1 1 41 41 VAL C C 41 175.106 175.106 174.171 0.935 18901 7528 1 13 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.292 -0.626 18901 7529 1 13 . 1 1 41 41 VAL CB C 41 34.691 34.691 32.315 2.376 18901 7530 1 13 . 1 1 41 41 VAL H H 41 8.428 8.428 8.217 0.211 18901 7531 1 13 . 1 1 42 42 TYR N N 42 124.792 124.792 125.689 -0.897 18901 7532 1 13 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.206 0.290 18901 7533 1 13 . 1 1 42 42 TYR C C 42 174.659 174.659 174.389 0.270 18901 7534 1 13 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.767 -1.007 18901 7535 1 13 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.896 2.500 18901 7536 1 13 . 1 1 42 42 TYR H H 42 9.773 9.773 8.899 0.874 18901 7537 1 13 . 1 1 43 43 LEU N N 43 123.210 123.210 123.986 -0.776 18901 7538 1 13 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.673 0.580 18901 7539 1 13 . 1 1 43 43 LEU C C 43 176.296 176.296 174.763 1.533 18901 7540 1 13 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.855 0.491 18901 7541 1 13 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.230 2.319 18901 7542 1 13 . 1 1 43 43 LEU H H 43 9.368 9.368 8.776 0.592 18901 7543 1 13 . 1 1 44 44 ALA N N 44 127.556 127.556 127.560 -0.004 18901 7544 1 13 . 1 1 44 44 ALA HA H 44 4.324 4.324 3.982 0.342 18901 7545 1 13 . 1 1 44 44 ALA C C 44 178.318 178.318 176.072 2.246 18901 7546 1 13 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.985 -0.241 18901 7547 1 13 . 1 1 44 44 ALA CB C 44 18.649 18.649 18.645 0.004 18901 7548 1 13 . 1 1 44 44 ALA H H 44 8.366 8.366 8.200 0.166 18901 7549 1 13 . 1 1 45 45 ILE N N 45 119.672 119.672 117.700 1.972 18901 7550 1 13 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.124 -0.381 18901 7551 1 13 . 1 1 45 45 ILE C C 45 175.937 175.937 175.174 0.763 18901 7552 1 13 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.393 1.727 18901 7553 1 13 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.923 -0.134 18901 7554 1 13 . 1 1 45 45 ILE H H 45 8.599 8.599 8.102 0.497 18901 7555 1 13 . 1 1 46 46 GLN N N 46 120.248 120.248 121.300 -1.052 18901 7556 1 13 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.226 0.181 18901 7557 1 13 . 1 1 46 46 GLN C C 46 176.355 176.355 175.288 1.067 18901 7558 1 13 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.675 -0.861 18901 7559 1 13 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.862 1.978 18901 7560 1 13 . 1 1 46 46 GLN H H 46 8.207 8.207 8.597 -0.390 18901 7561 1 13 . 1 1 47 47 SER N N 47 117.541 117.541 118.498 -0.957 18901 7562 1 13 . 1 1 47 47 SER HA H 47 4.445 4.445 4.681 -0.236 18901 7563 1 13 . 1 1 47 47 SER C C 47 175.100 175.100 172.567 2.533 18901 7564 1 13 . 1 1 47 47 SER CA C 47 57.957 57.957 58.003 -0.046 18901 7565 1 13 . 1 1 47 47 SER CB C 47 64.188 64.188 64.281 -0.093 18901 7566 1 13 . 1 1 47 47 SER H H 47 8.316 8.316 8.038 0.278 18901 7567 1 13 . 1 1 48 48 SER N N 48 116.421 116.421 115.031 1.390 18901 7568 1 13 . 1 1 48 48 SER HA H 48 4.446 4.446 4.775 -0.329 18901 7569 1 13 . 1 1 48 48 SER CA C 48 58.395 58.395 57.763 0.632 18901 7570 1 13 . 1 1 48 48 SER CB C 48 63.932 63.932 63.910 0.022 18901 7571 1 13 . 1 1 48 48 SER H H 48 8.096 8.096 8.348 -0.252 18901 7572 1 13 . 1 1 49 49 GLN N N 49 120.755 120.755 121.372 -0.617 18901 7573 1 13 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.570 -0.259 18901 7574 1 13 . 1 1 49 49 GLN C C 49 176.420 176.420 174.476 1.944 18901 7575 1 13 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.578 0.264 18901 7576 1 13 . 1 1 49 49 GLN CB C 49 29.751 29.751 31.564 -1.813 18901 7577 1 13 . 1 1 49 49 GLN H H 49 8.308 8.308 8.360 -0.052 18901 7578 1 13 . 1 1 50 50 ALA N N 50 124.199 124.199 125.918 -1.719 18901 7579 1 13 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.339 -0.027 18901 7580 1 13 . 1 1 50 50 ALA C C 50 178.375 178.375 176.807 1.568 18901 7581 1 13 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.920 -0.300 18901 7582 1 13 . 1 1 50 50 ALA CB C 50 19.453 19.453 17.656 1.797 18901 7583 1 13 . 1 1 50 50 ALA H H 50 8.219 8.219 8.571 -0.352 18901 7584 1 13 . 1 1 51 51 SER N N 51 113.652 113.652 117.857 -4.205 18901 7585 1 13 . 1 1 51 51 SER HA H 51 4.307 4.307 4.529 -0.222 18901 7586 1 13 . 1 1 51 51 SER C C 51 175.739 175.739 174.443 1.296 18901 7587 1 13 . 1 1 51 51 SER CA C 51 52.695 52.695 58.344 -5.649 18901 7588 1 13 . 1 1 51 51 SER CB C 51 62.104 62.104 64.813 -2.709 18901 7589 1 13 . 1 1 51 51 SER H H 51 8.148 8.148 8.156 -0.008 18901 7590 1 13 . 1 1 52 52 GLY N N 52 109.442 109.442 112.944 -3.502 18901 7591 1 13 . 1 1 52 52 GLY C C 52 174.511 174.511 173.443 1.068 18901 7592 1 13 . 1 1 52 52 GLY CA C 52 45.398 45.398 44.536 0.862 18901 7593 1 13 . 1 1 52 52 GLY H H 52 8.267 8.267 8.326 -0.059 18901 7594 1 13 . 1 1 53 53 GLU N N 53 120.137 120.137 118.333 1.804 18901 7595 1 13 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.641 -0.088 18901 7596 1 13 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.761 0.294 18901 7597 1 13 . 1 1 53 53 GLU CB C 53 29.844 29.844 32.376 -2.532 18901 7598 1 13 . 1 1 53 53 GLU H H 53 7.951 7.951 8.043 -0.092 18901 7599 1 13 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.253 0.112 18901 7600 1 13 . 1 1 54 54 PRO C C 54 177.830 177.830 176.474 1.356 18901 7601 1 13 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.949 0.761 18901 7602 1 13 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.163 0.549 18901 7603 1 13 . 1 1 55 55 LYS N N 55 119.406 119.406 116.557 2.849 18901 7604 1 13 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.948 0.317 18901 7605 1 13 . 1 1 55 55 LYS C C 55 177.347 177.347 175.688 1.659 18901 7606 1 13 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.530 0.167 18901 7607 1 13 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.845 1.401 18901 7608 1 13 . 1 1 55 55 LYS H H 55 8.315 8.315 8.557 -0.242 18901 7609 1 13 . 1 1 56 56 SER N N 56 114.624 114.624 112.838 1.786 18901 7610 1 13 . 1 1 56 56 SER HA H 56 4.564 4.564 4.162 0.402 18901 7611 1 13 . 1 1 56 56 SER C C 56 175.285 175.285 175.392 -0.107 18901 7612 1 13 . 1 1 56 56 SER CA C 56 60.090 60.090 59.378 0.712 18901 7613 1 13 . 1 1 56 56 SER CB C 56 63.305 63.305 62.007 1.298 18901 7614 1 13 . 1 1 56 56 SER H H 56 8.090 8.090 8.649 -0.559 18901 7615 1 13 . 1 1 57 57 SER N N 57 116.016 116.016 113.141 2.875 18901 7616 1 13 . 1 1 57 57 SER HA H 57 4.455 4.455 4.213 0.242 18901 7617 1 13 . 1 1 57 57 SER C C 57 174.988 174.988 174.430 0.558 18901 7618 1 13 . 1 1 57 57 SER CA C 57 58.332 58.332 60.613 -2.281 18901 7619 1 13 . 1 1 57 57 SER CB C 57 63.876 63.876 63.177 0.699 18901 7620 1 13 . 1 1 57 57 SER H H 57 8.224 8.224 8.747 -0.523 18901 7621 1 13 . 1 1 58 58 THR N N 58 116.090 116.090 116.048 0.042 18901 7622 1 13 . 1 1 58 58 THR HA H 58 4.602 4.602 4.045 0.557 18901 7623 1 13 . 1 1 58 58 THR CA C 58 59.935 59.935 63.935 -4.000 18901 7624 1 13 . 1 1 58 58 THR CB C 58 69.773 69.773 68.949 0.824 18901 7625 1 13 . 1 1 58 58 THR H H 58 7.939 7.939 7.965 -0.026 18901 7626 1 13 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.411 -0.130 18901 7627 1 13 . 1 1 59 59 PRO C C 59 177.272 177.272 175.768 1.504 18901 7628 1 13 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.902 -0.826 18901 7629 1 13 . 1 1 59 59 PRO CB C 59 32.778 32.778 31.999 0.779 18901 7630 1 13 . 1 1 60 60 ALA N N 60 122.319 122.319 120.490 1.829 18901 7631 1 13 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.018 0.201 18901 7632 1 13 . 1 1 60 60 ALA C C 60 178.277 178.277 177.256 1.021 18901 7633 1 13 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.971 -0.471 18901 7634 1 13 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.482 1.977 18901 7635 1 13 . 1 1 60 60 ALA H H 60 8.156 8.156 8.406 -0.250 18901 7636 1 13 . 1 1 61 61 GLN N N 61 117.680 117.680 117.380 0.300 18901 7637 1 13 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.196 0.082 18901 7638 1 13 . 1 1 61 61 GLN C C 61 176.148 176.148 176.177 -0.029 18901 7639 1 13 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.520 0.005 18901 7640 1 13 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.456 0.588 18901 7641 1 13 . 1 1 61 61 GLN H H 61 8.016 8.016 8.017 -0.001 18901 7642 1 13 . 1 1 62 62 LEU N N 62 121.805 121.805 119.388 2.417 18901 7643 1 13 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.357 -0.228 18901 7644 1 13 . 1 1 62 62 LEU C C 62 176.202 176.202 175.122 1.080 18901 7645 1 13 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.215 1.359 18901 7646 1 13 . 1 1 62 62 LEU CB C 62 43.290 43.290 42.699 0.591 18901 7647 1 13 . 1 1 62 62 LEU H H 62 7.968 7.968 8.108 -0.140 18901 7648 1 13 . 1 1 63 63 ALA N N 63 124.947 124.947 122.973 1.974 18901 7649 1 13 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.291 0.205 18901 7650 1 13 . 1 1 63 63 ALA C C 63 176.252 176.252 175.923 0.329 18901 7651 1 13 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.400 -0.602 18901 7652 1 13 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.457 0.189 18901 7653 1 13 . 1 1 63 63 ALA H H 63 8.434 8.434 7.750 0.684 18901 7654 1 13 . 1 1 64 64 PHE N N 64 117.099 117.099 120.114 -3.015 18901 7655 1 13 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.727 0.357 18901 7656 1 13 . 1 1 64 64 PHE C C 64 176.403 176.403 175.247 1.156 18901 7657 1 13 . 1 1 64 64 PHE CA C 64 57.733 57.733 54.793 2.940 18901 7658 1 13 . 1 1 64 64 PHE CB C 64 42.810 42.810 41.740 1.069 18901 7659 1 13 . 1 1 64 64 PHE H H 64 8.446 8.446 8.089 0.357 18901 7660 1 13 . 1 1 65 65 MET N N 65 120.470 120.470 119.966 0.504 18901 7661 1 13 . 1 1 65 65 MET HA H 65 4.902 4.902 4.866 0.036 18901 7662 1 13 . 1 1 65 65 MET CA C 65 53.984 53.984 55.882 -1.898 18901 7663 1 13 . 1 1 65 65 MET CB C 65 36.825 36.825 34.297 2.527 18901 7664 1 13 . 1 1 65 65 MET H H 65 9.050 9.050 9.109 -0.059 18901 7665 1 13 . 1 1 66 66 ARG N N 66 120.685 120.685 122.731 -2.046 18901 7666 1 13 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.865 -0.722 18901 7667 1 13 . 1 1 66 66 ARG C C 66 176.916 176.916 176.606 0.310 18901 7668 1 13 . 1 1 66 66 ARG CA C 66 57.962 57.962 55.659 2.303 18901 7669 1 13 . 1 1 66 66 ARG CB C 66 31.072 31.072 30.298 0.774 18901 7670 1 13 . 1 1 66 66 ARG H H 66 7.540 7.540 8.676 -1.136 18901 7671 1 13 . 1 1 67 67 VAL N N 67 117.677 117.677 121.022 -3.345 18901 7672 1 13 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.958 0.756 18901 7673 1 13 . 1 1 67 67 VAL C C 67 175.777 175.777 176.034 -0.257 18901 7674 1 13 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.192 -3.273 18901 7675 1 13 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.181 1.233 18901 7676 1 13 . 1 1 67 67 VAL H H 67 8.859 8.859 8.116 0.743 18901 7677 1 13 . 1 1 68 68 TYR N N 68 120.707 120.707 123.144 -2.437 18901 7678 1 13 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.295 0.482 18901 7679 1 13 . 1 1 68 68 TYR C C 68 173.712 173.712 175.304 -1.592 18901 7680 1 13 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.740 -1.435 18901 7681 1 13 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.114 4.942 18901 7682 1 13 . 1 1 68 68 TYR H H 68 7.539 7.539 7.707 -0.168 18901 7683 1 13 . 1 1 69 69 CYS N N 69 127.927 127.927 122.694 5.233 18901 7684 1 13 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.542 0.527 18901 7685 1 13 . 1 1 69 69 CYS C C 69 174.094 174.094 173.996 0.098 18901 7686 1 13 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.493 -0.303 18901 7687 1 13 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.953 -0.963 18901 7688 1 13 . 1 1 69 69 CYS H H 69 7.601 7.601 8.384 -0.783 18901 7689 1 13 . 1 1 70 70 GLY N N 70 114.822 114.822 110.840 3.982 18901 7690 1 13 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.156 2.990 18901 7691 1 13 . 1 1 70 70 GLY H H 70 8.336 8.336 7.292 1.044 18901 7692 1 13 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.424 0.124 18901 7693 1 13 . 1 1 71 71 PRO CB C 71 32.664 32.664 31.979 0.685 18901 7694 1 13 . 1 1 72 72 SER N N 72 112.451 112.451 114.254 -1.803 18901 7695 1 13 . 1 1 72 72 SER HA H 72 4.850 4.850 4.563 0.287 18901 7696 1 13 . 1 1 72 72 SER CA C 72 56.874 56.874 55.979 0.895 18901 7697 1 13 . 1 1 72 72 SER CB C 72 63.248 63.248 63.238 0.010 18901 7698 1 13 . 1 1 72 72 SER H H 72 7.327 7.327 7.987 -0.660 18901 7699 1 13 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.748 -0.555 18901 7700 1 13 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.777 -0.222 18901 7701 1 13 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.044 0.193 18901 7702 1 13 . 1 1 74 74 SER N N 74 111.450 111.450 114.502 -3.052 18901 7703 1 13 . 1 1 74 74 SER HA H 74 3.907 3.907 3.473 0.434 18901 7704 1 13 . 1 1 74 74 SER CA C 74 56.710 56.710 57.275 -0.565 18901 7705 1 13 . 1 1 74 74 SER CB C 74 64.647 64.647 60.978 3.669 18901 7706 1 13 . 1 1 74 74 SER H H 74 6.909 6.909 7.758 -0.849 18901 7707 1 13 . 1 1 75 75 CYS N N 75 124.103 124.103 120.396 3.707 18901 7708 1 13 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.291 -0.732 18901 7709 1 13 . 1 1 75 75 CYS C C 75 171.568 171.568 173.003 -1.435 18901 7710 1 13 . 1 1 75 75 CYS CA C 75 62.200 62.200 57.790 4.410 18901 7711 1 13 . 1 1 75 75 CYS CB C 75 26.251 26.251 29.675 -3.425 18901 7712 1 13 . 1 1 75 75 CYS H H 75 6.017 6.017 7.901 -1.884 18901 7713 1 13 . 1 1 76 76 LEU N N 76 121.191 121.191 118.227 2.964 18901 7714 1 13 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.939 -0.116 18901 7715 1 13 . 1 1 76 76 LEU C C 76 176.786 176.786 175.475 1.311 18901 7716 1 13 . 1 1 76 76 LEU CA C 76 53.365 53.365 53.480 -0.115 18901 7717 1 13 . 1 1 76 76 LEU CB C 76 44.226 44.226 44.638 -0.412 18901 7718 1 13 . 1 1 76 76 LEU H H 76 8.015 8.015 7.968 0.047 18901 7719 1 13 . 1 1 77 77 VAL N N 77 126.347 126.347 120.731 5.616 18901 7720 1 13 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.396 -0.144 18901 7721 1 13 . 1 1 77 77 VAL C C 77 175.529 175.529 175.410 0.119 18901 7722 1 13 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.994 0.657 18901 7723 1 13 . 1 1 77 77 VAL CB C 77 32.676 32.676 33.116 -0.440 18901 7724 1 13 . 1 1 77 77 VAL H H 77 9.084 9.084 8.655 0.429 18901 7725 1 13 . 1 1 78 78 GLN N N 78 124.566 124.566 126.347 -1.781 18901 7726 1 13 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.675 -0.160 18901 7727 1 13 . 1 1 78 78 GLN C C 78 178.805 178.805 177.895 0.910 18901 7728 1 13 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.147 0.769 18901 7729 1 13 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.538 0.860 18901 7730 1 13 . 1 1 78 78 GLN H H 78 8.908 8.908 8.845 0.063 18901 7731 1 13 . 1 1 79 79 SER N N 79 116.974 116.974 120.281 -3.307 18901 7732 1 13 . 1 1 79 79 SER HA H 79 4.087 4.087 4.095 -0.008 18901 7733 1 13 . 1 1 79 79 SER C C 79 177.179 177.179 176.313 0.866 18901 7734 1 13 . 1 1 79 79 SER CA C 79 62.454 62.454 61.967 0.487 18901 7735 1 13 . 1 1 79 79 SER CB C 79 62.787 62.787 62.922 -0.135 18901 7736 1 13 . 1 1 79 79 SER H H 79 8.458 8.458 8.717 -0.259 18901 7737 1 13 . 1 1 80 80 SER N N 80 114.734 114.734 117.374 -2.640 18901 7738 1 13 . 1 1 80 80 SER HA H 80 4.211 4.211 4.149 0.062 18901 7739 1 13 . 1 1 80 80 SER C C 80 177.853 177.853 176.804 1.049 18901 7740 1 13 . 1 1 80 80 SER CA C 80 61.190 61.190 61.460 -0.270 18901 7741 1 13 . 1 1 80 80 SER CB C 80 62.358 62.358 62.708 -0.350 18901 7742 1 13 . 1 1 80 80 SER H H 80 8.537 8.537 8.828 -0.291 18901 7743 1 13 . 1 1 81 81 SER N N 81 117.137 117.137 119.093 -1.956 18901 7744 1 13 . 1 1 81 81 SER HA H 81 4.455 4.455 4.293 0.162 18901 7745 1 13 . 1 1 81 81 SER C C 81 175.702 175.702 176.825 -1.123 18901 7746 1 13 . 1 1 81 81 SER CA C 81 61.433 61.433 61.082 0.351 18901 7747 1 13 . 1 1 81 81 SER CB C 81 63.130 63.130 62.746 0.384 18901 7748 1 13 . 1 1 81 81 SER H H 81 7.514 7.514 8.396 -0.882 18901 7749 1 13 . 1 1 82 82 LEU N N 82 117.548 117.548 121.753 -4.205 18901 7750 1 13 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.155 -0.122 18901 7751 1 13 . 1 1 82 82 LEU C C 82 179.445 179.445 178.892 0.553 18901 7752 1 13 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.198 -0.496 18901 7753 1 13 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.467 0.321 18901 7754 1 13 . 1 1 82 82 LEU H H 82 7.629 7.629 8.397 -0.768 18901 7755 1 13 . 1 1 83 83 SER N N 83 113.258 113.258 114.332 -1.074 18901 7756 1 13 . 1 1 83 83 SER HA H 83 4.214 4.214 4.266 -0.052 18901 7757 1 13 . 1 1 83 83 SER C C 83 175.256 175.256 175.526 -0.270 18901 7758 1 13 . 1 1 83 83 SER CA C 83 61.192 61.192 60.602 0.591 18901 7759 1 13 . 1 1 83 83 SER CB C 83 63.544 63.544 63.180 0.364 18901 7760 1 13 . 1 1 83 83 SER H H 83 7.805 7.805 7.968 -0.163 18901 7761 1 13 . 1 1 84 84 ASN N N 84 116.565 116.565 117.633 -1.068 18901 7762 1 13 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.832 0.090 18901 7763 1 13 . 1 1 84 84 ASN C C 84 175.063 175.063 174.024 1.039 18901 7764 1 13 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.367 -0.695 18901 7765 1 13 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.814 -0.123 18901 7766 1 13 . 1 1 84 84 ASN H H 84 7.612 7.612 7.650 -0.038 18901 7767 1 13 . 1 1 85 85 ALA N N 85 119.819 119.819 122.953 -3.134 18901 7768 1 13 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.336 -0.087 18901 7769 1 13 . 1 1 85 85 ALA C C 85 178.113 178.113 176.977 1.136 18901 7770 1 13 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.284 0.781 18901 7771 1 13 . 1 1 85 85 ALA CB C 85 19.820 19.820 18.780 1.040 18901 7772 1 13 . 1 1 85 85 ALA H H 85 7.558 7.558 7.367 0.191 18901 7773 1 13 . 1 1 86 86 HIS N N 86 118.388 118.388 125.109 -6.721 18901 7774 1 13 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.530 -0.125 18901 7775 1 13 . 1 1 86 86 HIS C C 86 175.333 175.333 174.923 0.410 18901 7776 1 13 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.489 0.131 18901 7777 1 13 . 1 1 86 86 HIS CB C 86 29.198 29.198 32.109 -2.911 18901 7778 1 13 . 1 1 86 86 HIS H H 86 8.280 8.280 8.499 -0.219 18901 7779 1 13 . 1 1 87 87 ILE N N 87 126.618 126.618 123.786 2.832 18901 7780 1 13 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.424 -0.369 18901 7781 1 13 . 1 1 87 87 ILE C C 87 174.718 174.718 176.192 -1.474 18901 7782 1 13 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.286 1.141 18901 7783 1 13 . 1 1 87 87 ILE CB C 87 37.442 37.442 39.599 -2.156 18901 7784 1 13 . 1 1 87 87 ILE H H 87 7.873 7.873 8.028 -0.155 18901 7785 1 13 . 1 1 88 88 ASP N N 88 124.684 124.684 125.837 -1.153 18901 7786 1 13 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.556 -0.044 18901 7787 1 13 . 1 1 88 88 ASP C C 88 176.506 176.506 176.284 0.222 18901 7788 1 13 . 1 1 88 88 ASP CA C 88 53.237 53.237 52.992 0.245 18901 7789 1 13 . 1 1 88 88 ASP CB C 88 43.761 43.761 39.513 4.248 18901 7790 1 13 . 1 1 88 88 ASP H H 88 8.572 8.572 8.714 -0.142 18901 7791 1 13 . 1 1 89 89 TYR N N 89 122.959 122.959 126.639 -3.680 18901 7792 1 13 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.434 -0.055 18901 7793 1 13 . 1 1 89 89 TYR C C 89 176.631 176.631 175.467 1.164 18901 7794 1 13 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.691 0.938 18901 7795 1 13 . 1 1 89 89 TYR CB C 89 38.462 38.462 36.295 2.167 18901 7796 1 13 . 1 1 89 89 TYR H H 89 8.533 8.533 8.453 0.080 18901 7797 1 13 . 1 1 90 90 THR N N 90 115.232 115.232 112.114 3.118 18901 7798 1 13 . 1 1 90 90 THR HA H 90 3.974 3.974 4.494 -0.520 18901 7799 1 13 . 1 1 90 90 THR C C 90 176.298 176.298 175.565 0.733 18901 7800 1 13 . 1 1 90 90 THR CA C 90 65.610 65.610 63.003 2.607 18901 7801 1 13 . 1 1 90 90 THR CB C 90 68.758 68.758 70.582 -1.824 18901 7802 1 13 . 1 1 90 90 THR H H 90 8.024 8.024 8.338 -0.314 18901 7803 1 13 . 1 1 91 91 THR N N 91 112.253 112.253 117.225 -4.972 18901 7804 1 13 . 1 1 91 91 THR HA H 91 4.290 4.290 4.261 0.029 18901 7805 1 13 . 1 1 91 91 THR C C 91 174.644 174.644 173.758 0.886 18901 7806 1 13 . 1 1 91 91 THR CA C 91 61.288 61.288 64.190 -2.902 18901 7807 1 13 . 1 1 91 91 THR CB C 91 69.418 69.418 69.755 -0.337 18901 7808 1 13 . 1 1 91 91 THR H H 91 8.013 8.013 8.531 -0.518 18901 7809 1 13 . 1 1 92 92 LYS N N 92 121.833 121.833 119.850 1.983 18901 7810 1 13 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.646 -0.187 18901 7811 1 13 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.237 1.194 18901 7812 1 13 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.438 -6.016 18901 7813 1 13 . 1 1 92 92 LYS H H 92 7.883 7.883 7.662 0.221 18901 7814 1 13 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.477 -0.266 18901 7815 1 13 . 1 1 93 93 PRO C C 93 176.775 176.775 175.445 1.330 18901 7816 1 13 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.963 0.422 18901 7817 1 13 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.249 0.965 18901 7818 1 13 . 1 1 94 94 ALA N N 94 122.487 122.487 125.382 -2.895 18901 7819 1 13 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.849 0.016 18901 7820 1 13 . 1 1 94 94 ALA C C 94 175.790 175.790 175.532 0.258 18901 7821 1 13 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.434 0.577 18901 7822 1 13 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.560 0.280 18901 7823 1 13 . 1 1 94 94 ALA H H 94 8.072 8.072 7.688 0.384 18901 7824 1 13 . 1 1 95 95 ILE N N 95 120.526 120.526 120.855 -0.329 18901 7825 1 13 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.246 0.045 18901 7826 1 13 . 1 1 95 95 ILE C C 95 175.063 175.063 175.514 -0.451 18901 7827 1 13 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.550 -1.121 18901 7828 1 13 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.011 1.645 18901 7829 1 13 . 1 1 95 95 ILE H H 95 8.099 8.099 8.170 -0.071 18901 7830 1 13 . 1 1 96 96 ILE N N 96 126.053 126.053 124.387 1.666 18901 7831 1 13 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.983 -0.029 18901 7832 1 13 . 1 1 96 96 ILE C C 96 175.609 175.609 175.066 0.543 18901 7833 1 13 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.315 0.975 18901 7834 1 13 . 1 1 96 96 ILE CB C 96 39.899 39.899 39.936 -0.037 18901 7835 1 13 . 1 1 96 96 ILE H H 96 9.393 9.393 8.283 1.110 18901 7836 1 13 . 1 1 97 97 PHE N N 97 120.455 120.455 122.386 -1.931 18901 7837 1 13 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.811 1.206 18901 7838 1 13 . 1 1 97 97 PHE C C 97 177.044 177.044 174.611 2.433 18901 7839 1 13 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.952 -1.183 18901 7840 1 13 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.785 0.901 18901 7841 1 13 . 1 1 97 97 PHE H H 97 8.626 8.626 8.612 0.014 18901 7842 1 13 . 1 1 98 98 ARG N N 98 117.253 117.253 123.337 -6.084 18901 7843 1 13 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.720 0.721 18901 7844 1 13 . 1 1 98 98 ARG C C 98 176.125 176.125 174.727 1.398 18901 7845 1 13 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.110 -0.147 18901 7846 1 13 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.306 5.315 18901 7847 1 13 . 1 1 98 98 ARG H H 98 9.041 9.041 8.776 0.265 18901 7848 1 13 . 1 1 99 99 ILE N N 99 120.894 120.894 124.759 -3.865 18901 7849 1 13 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.537 0.482 18901 7850 1 13 . 1 1 99 99 ILE C C 99 174.486 174.486 174.175 0.311 18901 7851 1 13 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.763 0.171 18901 7852 1 13 . 1 1 99 99 ILE CB C 99 41.415 41.415 39.121 2.294 18901 7853 1 13 . 1 1 99 99 ILE H H 99 8.499 8.499 7.679 0.820 18901 7854 1 13 . 1 1 100 100 ALA N N 100 127.368 127.368 128.268 -0.900 18901 7855 1 13 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.738 0.150 18901 7856 1 13 . 1 1 100 100 ALA C C 100 175.044 175.044 174.766 0.278 18901 7857 1 13 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.706 0.650 18901 7858 1 13 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.127 1.463 18901 7859 1 13 . 1 1 100 100 ALA H H 100 8.779 8.779 8.261 0.518 18901 7860 1 13 . 1 1 101 101 ALA N N 101 123.472 123.472 123.112 0.360 18901 7861 1 13 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.539 2.579 18901 7862 1 13 . 1 1 101 101 ALA C C 101 174.314 174.314 176.458 -2.144 18901 7863 1 13 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.812 -0.244 18901 7864 1 13 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.243 5.378 18901 7865 1 13 . 1 1 101 101 ALA H H 101 9.955 9.955 8.349 1.606 18901 7866 1 13 . 1 1 102 102 ARG N N 102 119.295 119.295 121.870 -2.575 18901 7867 1 13 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.823 0.768 18901 7868 1 13 . 1 1 102 102 ARG C C 102 176.649 176.649 174.195 2.454 18901 7869 1 13 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.141 -0.070 18901 7870 1 13 . 1 1 102 102 ARG CB C 102 33.170 33.170 30.109 3.061 18901 7871 1 13 . 1 1 102 102 ARG H H 102 8.474 8.474 7.702 0.772 18901 7872 1 13 . 1 1 103 103 ASN N N 103 124.198 124.198 122.534 1.664 18901 7873 1 13 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.177 0.277 18901 7874 1 13 . 1 1 103 103 ASN C C 103 176.327 176.327 176.434 -0.107 18901 7875 1 13 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.262 0.042 18901 7876 1 13 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.303 -0.645 18901 7877 1 13 . 1 1 103 103 ASN H H 103 7.816 7.816 7.954 -0.138 18901 7878 1 13 . 1 1 104 104 GLU N N 104 115.270 115.270 119.405 -4.135 18901 7879 1 13 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.989 -0.136 18901 7880 1 13 . 1 1 104 104 GLU C C 104 177.716 177.716 177.909 -0.193 18901 7881 1 13 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.894 1.011 18901 7882 1 13 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.529 -0.365 18901 7883 1 13 . 1 1 104 104 GLU H H 104 9.416 9.416 8.629 0.787 18901 7884 1 13 . 1 1 105 105 LYS N N 105 116.576 116.576 115.962 0.614 18901 7885 1 13 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.232 0.030 18901 7886 1 13 . 1 1 105 105 LYS C C 105 177.667 177.667 177.679 -0.012 18901 7887 1 13 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.397 0.658 18901 7888 1 13 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.773 0.278 18901 7889 1 13 . 1 1 105 105 LYS H H 105 7.737 7.737 8.364 -0.627 18901 7890 1 13 . 1 1 106 106 GLY N N 106 104.067 104.067 107.203 -3.136 18901 7891 1 13 . 1 1 106 106 GLY C C 106 172.796 172.796 173.964 -1.168 18901 7892 1 13 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.730 1.186 18901 7893 1 13 . 1 1 106 106 GLY H H 106 7.906 7.906 7.543 0.363 18901 7894 1 13 . 1 1 107 107 TYR N N 107 117.296 117.296 117.232 0.064 18901 7895 1 13 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.106 0.643 18901 7896 1 13 . 1 1 107 107 TYR C C 107 178.772 178.772 175.674 3.098 18901 7897 1 13 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.778 1.022 18901 7898 1 13 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.401 4.165 18901 7899 1 13 . 1 1 107 107 TYR H H 107 8.378 8.378 7.880 0.498 18901 7900 1 13 . 1 1 108 108 GLY N N 108 107.379 107.379 111.120 -3.741 18901 7901 1 13 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.066 -0.804 18901 7902 1 13 . 1 1 108 108 GLY H H 108 8.651 8.651 8.427 0.224 18901 7903 1 13 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.841 -0.896 18901 7904 1 13 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.871 -0.000 18901 7905 1 13 . 1 1 110 110 ALA C C 110 179.404 179.404 176.228 3.176 18901 7906 1 13 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.441 -1.173 18901 7907 1 13 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.566 -2.451 18901 7908 1 13 . 1 1 111 111 THR N N 111 118.432 118.432 117.841 0.591 18901 7909 1 13 . 1 1 111 111 THR HA H 111 4.396 4.396 4.466 -0.070 18901 7910 1 13 . 1 1 111 111 THR C C 111 173.449 173.449 173.939 -0.490 18901 7911 1 13 . 1 1 111 111 THR CA C 111 61.721 61.721 61.885 -0.163 18901 7912 1 13 . 1 1 111 111 THR CB C 111 69.967 69.967 69.480 0.487 18901 7913 1 13 . 1 1 111 111 THR H H 111 8.810 8.810 8.339 0.471 18901 7914 1 13 . 1 1 112 112 GLN N N 112 127.590 127.590 128.690 -1.100 18901 7915 1 13 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.585 0.752 18901 7916 1 13 . 1 1 112 112 GLN C C 112 175.442 175.442 175.409 0.033 18901 7917 1 13 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.522 -0.719 18901 7918 1 13 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.463 3.289 18901 7919 1 13 . 1 1 112 112 GLN H H 112 8.698 8.698 8.630 0.068 18901 7920 1 13 . 1 1 113 113 VAL N N 113 123.646 123.646 120.830 2.816 18901 7921 1 13 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.526 0.048 18901 7922 1 13 . 1 1 113 113 VAL C C 113 173.891 173.891 174.738 -0.847 18901 7923 1 13 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.785 -0.501 18901 7924 1 13 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.916 2.148 18901 7925 1 13 . 1 1 113 113 VAL H H 113 9.101 9.101 8.061 1.040 18901 7926 1 13 . 1 1 114 114 ARG N N 114 122.944 122.944 121.654 1.290 18901 7927 1 13 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.370 -0.437 18901 7928 1 13 . 1 1 114 114 ARG C C 114 175.683 175.683 175.360 0.323 18901 7929 1 13 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.199 0.550 18901 7930 1 13 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.569 -0.516 18901 7931 1 13 . 1 1 114 114 ARG H H 114 8.434 8.434 8.498 -0.064 18901 7932 1 13 . 1 1 115 115 TRP N N 115 126.067 126.067 126.676 -0.609 18901 7933 1 13 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.001 0.256 18901 7934 1 13 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.235 -1.714 18901 7935 1 13 . 1 1 115 115 TRP CB C 115 30.048 30.048 30.735 -0.687 18901 7936 1 13 . 1 1 115 115 TRP H H 115 9.944 9.944 9.299 0.645 18901 7937 1 13 . 1 1 116 116 LEU N N 116 130.031 130.031 128.247 1.784 18901 7938 1 13 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.452 -0.189 18901 7939 1 13 . 1 1 116 116 LEU CA C 116 55.697 55.697 55.359 0.338 18901 7940 1 13 . 1 1 116 116 LEU CB C 116 41.727 41.727 40.559 1.168 18901 7941 1 13 . 1 1 116 116 LEU H H 116 8.722 8.722 8.747 -0.025 18901 7942 1 13 . 1 1 117 117 GLN N N 117 124.737 124.737 118.175 6.562 18901 7943 1 13 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.190 -0.142 18901 7944 1 13 . 1 1 117 117 GLN CA C 117 57.436 57.436 54.841 2.595 18901 7945 1 13 . 1 1 117 117 GLN CB C 117 31.668 31.668 29.052 2.616 18901 7946 1 13 . 1 1 117 117 GLN H H 117 7.453 7.453 7.206 0.247 18901 7947 1 13 . 1 1 118 118 GLU N N 118 118.531 118.531 119.187 -0.656 18901 7948 1 13 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.994 -0.599 18901 7949 1 13 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.875 -2.193 18901 7950 1 13 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.131 0.241 18901 7951 1 13 . 1 1 118 118 GLU H H 118 7.891 7.891 7.603 0.288 18901 7952 1 13 . 1 1 119 119 THR N N 119 121.831 121.831 115.705 6.126 18901 7953 1 13 . 1 1 119 119 THR HA H 119 4.267 4.267 4.287 -0.020 18901 7954 1 13 . 1 1 119 119 THR CA C 119 55.604 55.604 63.335 -7.731 18901 7955 1 13 . 1 1 119 119 THR CB C 119 69.285 69.285 69.432 -0.147 18901 7956 1 13 . 1 1 119 119 THR H H 119 7.892 7.892 7.770 0.122 18901 7957 1 14 . 1 1 6 6 PHE N N 6 117.872 117.872 119.697 -1.825 18901 7958 1 14 . 1 1 6 6 PHE HA H 6 4.790 4.790 5.085 -0.295 18901 7959 1 14 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.951 2.075 18901 7960 1 14 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.131 -0.871 18901 7961 1 14 . 1 1 6 6 PHE H H 6 7.818 7.818 8.314 -0.496 18901 7962 1 14 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.291 -59.105 18901 7963 1 14 . 1 1 8 8 GLY N N 8 101.657 101.657 108.629 -6.972 18901 7964 1 14 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.767 -0.591 18901 7965 1 14 . 1 1 8 8 GLY H H 8 7.927 7.927 7.939 -0.012 18901 7966 1 14 . 1 1 9 9 ALA N N 9 120.767 120.767 123.087 -2.320 18901 7967 1 14 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.757 0.108 18901 7968 1 14 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.477 -0.279 18901 7969 1 14 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.612 -1.675 18901 7970 1 14 . 1 1 9 9 ALA H H 9 8.235 8.235 8.181 0.054 18901 7971 1 14 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.701 -0.344 18901 7972 1 14 . 1 1 10 10 PRO CA C 10 63.312 63.312 63.173 0.139 18901 7973 1 14 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.095 0.716 18901 7974 1 14 . 1 1 11 11 CYS N N 11 114.905 114.905 120.355 -5.450 18901 7975 1 14 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.675 0.263 18901 7976 1 14 . 1 1 11 11 CYS C C 11 172.706 172.706 174.817 -2.111 18901 7977 1 14 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.243 -0.405 18901 7978 1 14 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.094 1.045 18901 7979 1 14 . 1 1 11 11 CYS H H 11 8.084 8.084 8.527 -0.443 18901 7980 1 14 . 1 1 12 12 ALA N N 12 120.844 120.844 122.395 -1.551 18901 7981 1 14 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.986 -0.059 18901 7982 1 14 . 1 1 12 12 ALA C C 12 176.005 176.005 176.857 -0.852 18901 7983 1 14 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.088 -0.324 18901 7984 1 14 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.465 0.131 18901 7985 1 14 . 1 1 12 12 ALA H H 12 8.535 8.535 8.576 -0.041 18901 7986 1 14 . 1 1 13 13 ILE N N 13 116.800 116.800 117.959 -1.159 18901 7987 1 14 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.171 0.282 18901 7988 1 14 . 1 1 13 13 ILE C C 13 177.506 177.506 176.228 1.278 18901 7989 1 14 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.421 -0.086 18901 7990 1 14 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.312 -0.444 18901 7991 1 14 . 1 1 13 13 ILE H H 13 7.802 7.802 7.697 0.105 18901 7992 1 14 . 1 1 14 14 LYS N N 14 129.030 129.030 127.596 1.434 18901 7993 1 14 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.512 0.085 18901 7994 1 14 . 1 1 14 14 LYS C C 14 175.508 175.508 174.384 1.124 18901 7995 1 14 . 1 1 14 14 LYS CA C 14 55.552 55.552 53.947 1.605 18901 7996 1 14 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.619 -0.331 18901 7997 1 14 . 1 1 14 14 LYS H H 14 9.249 9.249 8.676 0.573 18901 7998 1 14 . 1 1 15 15 ILE N N 15 121.333 121.333 122.624 -1.291 18901 7999 1 14 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.446 0.138 18901 8000 1 14 . 1 1 15 15 ILE C C 15 175.983 175.983 174.855 1.128 18901 8001 1 14 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.961 0.847 18901 8002 1 14 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.550 0.070 18901 8003 1 14 . 1 1 15 15 ILE H H 15 8.231 8.231 8.335 -0.104 18901 8004 1 14 . 1 1 16 16 SER N N 16 120.251 120.251 120.820 -0.569 18901 8005 1 14 . 1 1 16 16 SER HA H 16 4.933 4.933 4.920 0.013 18901 8006 1 14 . 1 1 16 16 SER C C 16 173.725 173.725 172.915 0.810 18901 8007 1 14 . 1 1 16 16 SER CA C 16 56.656 56.656 57.106 -0.451 18901 8008 1 14 . 1 1 16 16 SER CB C 16 65.750 65.750 66.612 -0.862 18901 8009 1 14 . 1 1 16 16 SER H H 16 8.694 8.694 8.007 0.687 18901 8010 1 14 . 1 1 17 17 LYS N N 17 124.155 124.155 125.380 -1.225 18901 8011 1 14 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.532 0.128 18901 8012 1 14 . 1 1 17 17 LYS C C 17 175.815 175.815 175.957 -0.142 18901 8013 1 14 . 1 1 17 17 LYS CA C 17 57.275 57.275 57.495 -0.220 18901 8014 1 14 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.386 1.180 18901 8015 1 14 . 1 1 17 17 LYS H H 17 8.985 8.985 8.944 0.041 18901 8016 1 14 . 1 1 18 18 SER N N 18 121.663 121.663 118.827 2.836 18901 8017 1 14 . 1 1 18 18 SER HA H 18 5.076 5.076 4.929 0.147 18901 8018 1 14 . 1 1 18 18 SER CA C 18 56.676 56.676 54.772 1.904 18901 8019 1 14 . 1 1 18 18 SER CB C 18 64.993 64.993 64.923 0.070 18901 8020 1 14 . 1 1 18 18 SER H H 18 8.555 8.555 8.654 -0.099 18901 8021 1 14 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.440 -0.106 18901 8022 1 14 . 1 1 19 19 PRO C C 19 177.406 177.406 176.411 0.995 18901 8023 1 14 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.296 1.193 18901 8024 1 14 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.171 -0.106 18901 8025 1 14 . 1 1 20 20 ASP N N 20 110.573 110.573 115.466 -4.893 18901 8026 1 14 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.665 0.014 18901 8027 1 14 . 1 1 20 20 ASP C C 20 176.667 176.667 175.808 0.859 18901 8028 1 14 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.218 -0.660 18901 8029 1 14 . 1 1 20 20 ASP CB C 20 41.423 41.423 42.695 -1.272 18901 8030 1 14 . 1 1 20 20 ASP H H 20 8.019 8.019 8.216 -0.197 18901 8031 1 14 . 1 1 21 21 GLY N N 21 107.592 107.592 107.073 0.519 18901 8032 1 14 . 1 1 21 21 GLY C C 21 172.365 172.365 171.867 0.498 18901 8033 1 14 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.646 0.084 18901 8034 1 14 . 1 1 21 21 GLY H H 21 7.623 7.623 7.518 0.105 18901 8035 1 14 . 1 1 22 22 ALA N N 22 123.764 123.764 123.990 -0.226 18901 8036 1 14 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.153 -0.366 18901 8037 1 14 . 1 1 22 22 ALA C C 22 175.801 175.801 175.550 0.251 18901 8038 1 14 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.649 0.130 18901 8039 1 14 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.596 -0.462 18901 8040 1 14 . 1 1 22 22 ALA H H 22 8.704 8.704 8.472 0.232 18901 8041 1 14 . 1 1 23 23 HIS N N 23 120.666 120.666 122.528 -1.862 18901 8042 1 14 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.443 0.538 18901 8043 1 14 . 1 1 23 23 HIS C C 23 174.199 174.199 173.837 0.362 18901 8044 1 14 . 1 1 23 23 HIS CA C 23 54.267 54.267 57.138 -2.871 18901 8045 1 14 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.703 -0.714 18901 8046 1 14 . 1 1 23 23 HIS H H 23 9.088 9.088 8.675 0.413 18901 8047 1 14 . 1 1 24 24 LEU N N 24 127.467 127.467 122.683 4.784 18901 8048 1 14 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.624 0.556 18901 8049 1 14 . 1 1 24 24 LEU C C 24 176.430 176.430 174.953 1.477 18901 8050 1 14 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.890 1.638 18901 8051 1 14 . 1 1 24 24 LEU CB C 24 44.957 44.957 45.376 -0.419 18901 8052 1 14 . 1 1 24 24 LEU H H 24 8.702 8.702 8.444 0.258 18901 8053 1 14 . 1 1 25 25 THR N N 25 111.459 111.459 113.371 -1.912 18901 8054 1 14 . 1 1 25 25 THR HA H 25 4.186 4.186 4.189 -0.003 18901 8055 1 14 . 1 1 25 25 THR C C 25 172.720 172.720 171.953 0.767 18901 8056 1 14 . 1 1 25 25 THR CA C 25 60.798 60.798 59.741 1.057 18901 8057 1 14 . 1 1 25 25 THR CB C 25 72.021 72.021 71.499 0.522 18901 8058 1 14 . 1 1 25 25 THR H H 25 8.643 8.643 8.027 0.616 18901 8059 1 14 . 1 1 26 26 TRP N N 26 117.073 117.073 119.837 -2.764 18901 8060 1 14 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.029 0.004 18901 8061 1 14 . 1 1 26 26 TRP C C 26 173.425 173.425 174.660 -1.235 18901 8062 1 14 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.246 0.441 18901 8063 1 14 . 1 1 26 26 TRP CB C 26 30.157 30.157 32.968 -2.811 18901 8064 1 14 . 1 1 26 26 TRP H H 26 7.301 7.301 8.404 -1.103 18901 8065 1 14 . 1 1 27 27 GLU N N 27 115.563 115.563 118.188 -2.625 18901 8066 1 14 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.978 -0.156 18901 8067 1 14 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.555 -0.666 18901 8068 1 14 . 1 1 27 27 GLU CB C 27 30.830 30.830 32.889 -2.059 18901 8069 1 14 . 1 1 27 27 GLU H H 27 8.753 8.753 8.777 -0.024 18901 8070 1 14 . 1 1 28 28 PRO HA H 28 4.339 4.339 5.056 -0.717 18901 8071 1 14 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.323 4.224 18901 8072 1 14 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.380 0.761 18901 8073 1 14 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.387 -0.102 18901 8074 1 14 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.875 -1.895 18901 8075 1 14 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.150 0.734 18901 8076 1 14 . 1 1 30 30 SER N N 30 110.838 110.838 111.115 -0.277 18901 8077 1 14 . 1 1 30 30 SER HA H 30 3.910 3.910 4.236 -0.326 18901 8078 1 14 . 1 1 30 30 SER CA C 30 56.967 56.967 59.402 -2.435 18901 8079 1 14 . 1 1 30 30 SER CB C 30 64.771 64.771 62.837 1.934 18901 8080 1 14 . 1 1 30 30 SER H H 30 8.317 8.317 8.643 -0.326 18901 8081 1 14 . 1 1 31 31 VAL N N 31 114.209 114.209 114.178 0.031 18901 8082 1 14 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.201 0.007 18901 8083 1 14 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.387 -1.607 18901 8084 1 14 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.195 0.576 18901 8085 1 14 . 1 1 31 31 VAL H H 31 8.320 8.320 7.833 0.487 18901 8086 1 14 . 1 1 32 32 THR N N 32 119.600 119.600 118.184 1.416 18901 8087 1 14 . 1 1 32 32 THR HA H 32 4.179 4.179 4.323 -0.144 18901 8088 1 14 . 1 1 32 32 THR CA C 32 60.465 60.465 62.775 -2.310 18901 8089 1 14 . 1 1 32 32 THR CB C 32 63.211 63.211 69.327 -6.116 18901 8090 1 14 . 1 1 32 32 THR H H 32 7.828 7.828 7.819 0.009 18901 8091 1 14 . 1 1 33 33 SER N N 33 115.967 115.967 122.087 -6.120 18901 8092 1 14 . 1 1 33 33 SER HA H 33 4.179 4.179 4.539 -0.360 18901 8093 1 14 . 1 1 33 33 SER C C 33 174.332 174.332 173.547 0.785 18901 8094 1 14 . 1 1 33 33 SER CA C 33 60.428 60.428 57.937 2.491 18901 8095 1 14 . 1 1 33 33 SER CB C 33 62.209 62.209 62.755 -0.546 18901 8096 1 14 . 1 1 33 33 SER H H 33 8.292 8.292 8.527 -0.235 18901 8097 1 14 . 1 1 34 34 GLY N N 34 106.879 106.879 108.778 -1.899 18901 8098 1 14 . 1 1 34 34 GLY C C 34 173.709 173.709 173.272 0.437 18901 8099 1 14 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.336 0.035 18901 8100 1 14 . 1 1 34 34 GLY H H 34 7.848 7.848 7.498 0.350 18901 8101 1 14 . 1 1 35 35 LYS N N 35 122.205 122.205 126.560 -4.355 18901 8102 1 14 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.308 0.002 18901 8103 1 14 . 1 1 35 35 LYS C C 35 176.262 176.262 175.796 0.466 18901 8104 1 14 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.220 0.451 18901 8105 1 14 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.349 1.898 18901 8106 1 14 . 1 1 35 35 LYS H H 35 8.628 8.628 8.455 0.173 18901 8107 1 14 . 1 1 36 36 ILE N N 36 120.178 120.178 125.498 -5.320 18901 8108 1 14 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.850 0.271 18901 8109 1 14 . 1 1 36 36 ILE C C 36 177.751 177.751 176.737 1.014 18901 8110 1 14 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.842 -3.921 18901 8111 1 14 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.093 -2.781 18901 8112 1 14 . 1 1 36 36 ILE H H 36 8.344 8.344 8.013 0.331 18901 8113 1 14 . 1 1 37 37 ILE N N 37 122.285 122.285 123.200 -0.915 18901 8114 1 14 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.529 -0.312 18901 8115 1 14 . 1 1 37 37 ILE C C 37 176.085 176.085 175.964 0.121 18901 8116 1 14 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.424 -0.482 18901 8117 1 14 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.153 -0.354 18901 8118 1 14 . 1 1 37 37 ILE H H 37 8.460 8.460 8.857 -0.397 18901 8119 1 14 . 1 1 38 38 GLU N N 38 116.489 116.489 118.500 -2.011 18901 8120 1 14 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.580 -0.411 18901 8121 1 14 . 1 1 38 38 GLU C C 38 171.864 171.864 174.182 -2.318 18901 8122 1 14 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.622 0.354 18901 8123 1 14 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.714 1.766 18901 8124 1 14 . 1 1 38 38 GLU H H 38 7.143 7.143 7.704 -0.561 18901 8125 1 14 . 1 1 39 39 TYR N N 39 118.418 118.418 117.107 1.311 18901 8126 1 14 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.044 0.651 18901 8127 1 14 . 1 1 39 39 TYR C C 39 176.190 176.190 174.191 1.999 18901 8128 1 14 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.409 -0.498 18901 8129 1 14 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.745 0.992 18901 8130 1 14 . 1 1 39 39 TYR H H 39 8.860 8.860 8.042 0.818 18901 8131 1 14 . 1 1 40 40 SER N N 40 111.613 111.613 113.722 -2.109 18901 8132 1 14 . 1 1 40 40 SER HA H 40 5.497 5.497 4.128 1.369 18901 8133 1 14 . 1 1 40 40 SER C C 40 172.888 172.888 171.926 0.962 18901 8134 1 14 . 1 1 40 40 SER CA C 40 58.729 58.729 56.516 2.213 18901 8135 1 14 . 1 1 40 40 SER CB C 40 69.596 69.596 65.255 4.341 18901 8136 1 14 . 1 1 40 40 SER H H 40 8.705 8.705 8.259 0.446 18901 8137 1 14 . 1 1 41 41 VAL N N 41 119.202 119.202 122.194 -2.992 18901 8138 1 14 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.583 0.253 18901 8139 1 14 . 1 1 41 41 VAL C C 41 175.106 175.106 174.111 0.995 18901 8140 1 14 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.402 -0.736 18901 8141 1 14 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.215 0.476 18901 8142 1 14 . 1 1 41 41 VAL H H 41 8.428 8.428 7.919 0.509 18901 8143 1 14 . 1 1 42 42 TYR N N 42 124.792 124.792 125.665 -0.873 18901 8144 1 14 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.917 0.579 18901 8145 1 14 . 1 1 42 42 TYR C C 42 174.659 174.659 174.282 0.377 18901 8146 1 14 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.553 -0.793 18901 8147 1 14 . 1 1 42 42 TYR CB C 42 42.396 42.396 42.088 0.308 18901 8148 1 14 . 1 1 42 42 TYR H H 42 9.773 9.773 9.206 0.567 18901 8149 1 14 . 1 1 43 43 LEU N N 43 123.210 123.210 122.748 0.462 18901 8150 1 14 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.555 0.698 18901 8151 1 14 . 1 1 43 43 LEU C C 43 176.296 176.296 174.903 1.393 18901 8152 1 14 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.515 -0.169 18901 8153 1 14 . 1 1 43 43 LEU CB C 43 48.549 48.549 45.910 2.639 18901 8154 1 14 . 1 1 43 43 LEU H H 43 9.368 9.368 8.707 0.661 18901 8155 1 14 . 1 1 44 44 ALA N N 44 127.556 127.556 128.799 -1.243 18901 8156 1 14 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.448 -0.124 18901 8157 1 14 . 1 1 44 44 ALA C C 44 178.318 178.318 176.565 1.753 18901 8158 1 14 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.492 -0.748 18901 8159 1 14 . 1 1 44 44 ALA CB C 44 18.649 18.649 18.936 -0.287 18901 8160 1 14 . 1 1 44 44 ALA H H 44 8.366 8.366 7.768 0.598 18901 8161 1 14 . 1 1 45 45 ILE N N 45 119.672 119.672 119.257 0.415 18901 8162 1 14 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.337 -0.594 18901 8163 1 14 . 1 1 45 45 ILE C C 45 175.937 175.937 174.863 1.074 18901 8164 1 14 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.377 0.743 18901 8165 1 14 . 1 1 45 45 ILE CB C 45 41.789 41.789 42.441 -0.652 18901 8166 1 14 . 1 1 45 45 ILE H H 45 8.599 8.599 8.025 0.574 18901 8167 1 14 . 1 1 46 46 GLN N N 46 120.248 120.248 119.031 1.217 18901 8168 1 14 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.649 -0.242 18901 8169 1 14 . 1 1 46 46 GLN C C 46 176.355 176.355 174.901 1.454 18901 8170 1 14 . 1 1 46 46 GLN CA C 46 55.814 55.814 55.161 0.652 18901 8171 1 14 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.563 1.277 18901 8172 1 14 . 1 1 46 46 GLN H H 46 8.207 8.207 8.483 -0.276 18901 8173 1 14 . 1 1 47 47 SER N N 47 117.541 117.541 117.269 0.272 18901 8174 1 14 . 1 1 47 47 SER HA H 47 4.445 4.445 4.632 -0.187 18901 8175 1 14 . 1 1 47 47 SER C C 47 175.100 175.100 173.572 1.528 18901 8176 1 14 . 1 1 47 47 SER CA C 47 57.957 57.957 57.742 0.215 18901 8177 1 14 . 1 1 47 47 SER CB C 47 64.188 64.188 64.913 -0.725 18901 8178 1 14 . 1 1 47 47 SER H H 47 8.316 8.316 7.594 0.722 18901 8179 1 14 . 1 1 48 48 SER N N 48 116.421 116.421 116.726 -0.305 18901 8180 1 14 . 1 1 48 48 SER HA H 48 4.446 4.446 4.191 0.255 18901 8181 1 14 . 1 1 48 48 SER CA C 48 58.395 58.395 59.755 -1.360 18901 8182 1 14 . 1 1 48 48 SER CB C 48 63.932 63.932 63.408 0.524 18901 8183 1 14 . 1 1 48 48 SER H H 48 8.096 8.096 8.569 -0.473 18901 8184 1 14 . 1 1 49 49 GLN N N 49 120.755 120.755 120.749 0.006 18901 8185 1 14 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.472 -0.161 18901 8186 1 14 . 1 1 49 49 GLN C C 49 176.420 176.420 174.281 2.139 18901 8187 1 14 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.194 0.648 18901 8188 1 14 . 1 1 49 49 GLN CB C 49 29.751 29.751 31.721 -1.970 18901 8189 1 14 . 1 1 49 49 GLN H H 49 8.308 8.308 8.231 0.077 18901 8190 1 14 . 1 1 50 50 ALA N N 50 124.199 124.199 123.768 0.431 18901 8191 1 14 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.819 -0.507 18901 8192 1 14 . 1 1 50 50 ALA C C 50 178.375 178.375 176.041 2.334 18901 8193 1 14 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.100 1.520 18901 8194 1 14 . 1 1 50 50 ALA CB C 50 19.453 19.453 20.653 -1.200 18901 8195 1 14 . 1 1 50 50 ALA H H 50 8.219 8.219 8.557 -0.338 18901 8196 1 14 . 1 1 51 51 SER N N 51 113.652 113.652 114.698 -1.046 18901 8197 1 14 . 1 1 51 51 SER HA H 51 4.307 4.307 4.636 -0.329 18901 8198 1 14 . 1 1 51 51 SER C C 51 175.739 175.739 173.007 2.732 18901 8199 1 14 . 1 1 51 51 SER CA C 51 52.695 52.695 58.233 -5.538 18901 8200 1 14 . 1 1 51 51 SER CB C 51 62.104 62.104 65.692 -3.587 18901 8201 1 14 . 1 1 51 51 SER H H 51 8.148 8.148 8.530 -0.382 18901 8202 1 14 . 1 1 52 52 GLY N N 52 109.442 109.442 110.893 -1.451 18901 8203 1 14 . 1 1 52 52 GLY C C 52 174.511 174.511 172.282 2.229 18901 8204 1 14 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.332 0.066 18901 8205 1 14 . 1 1 52 52 GLY H H 52 8.267 8.267 8.038 0.229 18901 8206 1 14 . 1 1 53 53 GLU N N 53 120.137 120.137 121.808 -1.671 18901 8207 1 14 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.877 -0.324 18901 8208 1 14 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.129 -0.074 18901 8209 1 14 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.072 -0.228 18901 8210 1 14 . 1 1 53 53 GLU H H 53 7.951 7.951 8.373 -0.422 18901 8211 1 14 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.572 -0.207 18901 8212 1 14 . 1 1 54 54 PRO C C 54 177.830 177.830 177.920 -0.090 18901 8213 1 14 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.578 1.131 18901 8214 1 14 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.377 0.335 18901 8215 1 14 . 1 1 55 55 LYS N N 55 119.406 119.406 120.617 -1.211 18901 8216 1 14 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.329 -0.064 18901 8217 1 14 . 1 1 55 55 LYS C C 55 177.347 177.347 175.828 1.519 18901 8218 1 14 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.258 0.439 18901 8219 1 14 . 1 1 55 55 LYS CB C 55 33.246 33.246 30.232 3.014 18901 8220 1 14 . 1 1 55 55 LYS H H 55 8.315 8.315 8.582 -0.267 18901 8221 1 14 . 1 1 56 56 SER N N 56 114.624 114.624 115.391 -0.767 18901 8222 1 14 . 1 1 56 56 SER HA H 56 4.564 4.564 4.205 0.359 18901 8223 1 14 . 1 1 56 56 SER C C 56 175.285 175.285 173.760 1.525 18901 8224 1 14 . 1 1 56 56 SER CA C 56 60.090 60.090 58.607 1.483 18901 8225 1 14 . 1 1 56 56 SER CB C 56 63.305 63.305 62.252 1.053 18901 8226 1 14 . 1 1 56 56 SER H H 56 8.090 8.090 8.311 -0.221 18901 8227 1 14 . 1 1 57 57 SER N N 57 116.016 116.016 119.164 -3.148 18901 8228 1 14 . 1 1 57 57 SER HA H 57 4.455 4.455 4.598 -0.143 18901 8229 1 14 . 1 1 57 57 SER C C 57 174.988 174.988 173.524 1.464 18901 8230 1 14 . 1 1 57 57 SER CA C 57 58.332 58.332 58.539 -0.207 18901 8231 1 14 . 1 1 57 57 SER CB C 57 63.876 63.876 64.114 -0.238 18901 8232 1 14 . 1 1 57 57 SER H H 57 8.224 8.224 8.462 -0.238 18901 8233 1 14 . 1 1 58 58 THR N N 58 116.090 116.090 118.696 -2.606 18901 8234 1 14 . 1 1 58 58 THR HA H 58 4.602 4.602 4.805 -0.203 18901 8235 1 14 . 1 1 58 58 THR CA C 58 59.935 59.935 60.433 -0.498 18901 8236 1 14 . 1 1 58 58 THR CB C 58 69.773 69.773 69.472 0.301 18901 8237 1 14 . 1 1 58 58 THR H H 58 7.939 7.939 7.987 -0.048 18901 8238 1 14 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.557 -0.276 18901 8239 1 14 . 1 1 59 59 PRO C C 59 177.272 177.272 175.406 1.866 18901 8240 1 14 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.662 -0.586 18901 8241 1 14 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.098 2.680 18901 8242 1 14 . 1 1 60 60 ALA N N 60 122.319 122.319 125.826 -3.507 18901 8243 1 14 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.367 -0.148 18901 8244 1 14 . 1 1 60 60 ALA C C 60 178.277 178.277 175.724 2.553 18901 8245 1 14 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.896 0.604 18901 8246 1 14 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.512 -1.053 18901 8247 1 14 . 1 1 60 60 ALA H H 60 8.156 8.156 7.642 0.514 18901 8248 1 14 . 1 1 61 61 GLN N N 61 117.680 117.680 121.733 -4.053 18901 8249 1 14 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.146 0.132 18901 8250 1 14 . 1 1 61 61 GLN C C 61 176.148 176.148 174.554 1.594 18901 8251 1 14 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.995 -0.470 18901 8252 1 14 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.240 0.804 18901 8253 1 14 . 1 1 61 61 GLN H H 61 8.016 8.016 8.194 -0.178 18901 8254 1 14 . 1 1 62 62 LEU N N 62 121.805 121.805 121.042 0.763 18901 8255 1 14 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.391 -0.262 18901 8256 1 14 . 1 1 62 62 LEU C C 62 176.202 176.202 174.813 1.389 18901 8257 1 14 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.373 1.201 18901 8258 1 14 . 1 1 62 62 LEU CB C 62 43.290 43.290 43.869 -0.579 18901 8259 1 14 . 1 1 62 62 LEU H H 62 7.968 7.968 7.943 0.025 18901 8260 1 14 . 1 1 63 63 ALA N N 63 124.947 124.947 123.576 1.371 18901 8261 1 14 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.466 0.030 18901 8262 1 14 . 1 1 63 63 ALA C C 63 176.252 176.252 175.891 0.361 18901 8263 1 14 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.782 -0.984 18901 8264 1 14 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.239 0.407 18901 8265 1 14 . 1 1 63 63 ALA H H 63 8.434 8.434 7.898 0.536 18901 8266 1 14 . 1 1 64 64 PHE N N 64 117.099 117.099 121.034 -3.935 18901 8267 1 14 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.073 0.011 18901 8268 1 14 . 1 1 64 64 PHE C C 64 176.403 176.403 174.877 1.526 18901 8269 1 14 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.241 2.492 18901 8270 1 14 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.815 -0.005 18901 8271 1 14 . 1 1 64 64 PHE H H 64 8.446 8.446 8.439 0.007 18901 8272 1 14 . 1 1 65 65 MET N N 65 120.470 120.470 119.995 0.475 18901 8273 1 14 . 1 1 65 65 MET HA H 65 4.902 4.902 4.451 0.451 18901 8274 1 14 . 1 1 65 65 MET CA C 65 53.984 53.984 56.398 -2.414 18901 8275 1 14 . 1 1 65 65 MET CB C 65 36.825 36.825 33.351 3.474 18901 8276 1 14 . 1 1 65 65 MET H H 65 9.050 9.050 8.419 0.631 18901 8277 1 14 . 1 1 66 66 ARG N N 66 120.685 120.685 116.954 3.731 18901 8278 1 14 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.135 0.008 18901 8279 1 14 . 1 1 66 66 ARG C C 66 176.916 176.916 175.574 1.342 18901 8280 1 14 . 1 1 66 66 ARG CA C 66 57.962 57.962 57.029 0.933 18901 8281 1 14 . 1 1 66 66 ARG CB C 66 31.072 31.072 27.142 3.930 18901 8282 1 14 . 1 1 66 66 ARG H H 66 7.540 7.540 8.398 -0.858 18901 8283 1 14 . 1 1 67 67 VAL N N 67 117.677 117.677 111.909 5.768 18901 8284 1 14 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.926 0.788 18901 8285 1 14 . 1 1 67 67 VAL C C 67 175.777 175.777 175.609 0.168 18901 8286 1 14 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.668 -2.749 18901 8287 1 14 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.221 2.193 18901 8288 1 14 . 1 1 67 67 VAL H H 67 8.859 8.859 7.979 0.880 18901 8289 1 14 . 1 1 68 68 TYR N N 68 120.707 120.707 120.175 0.532 18901 8290 1 14 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.279 0.498 18901 8291 1 14 . 1 1 68 68 TYR C C 68 173.712 173.712 176.706 -2.994 18901 8292 1 14 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.889 -1.584 18901 8293 1 14 . 1 1 68 68 TYR CB C 68 43.056 43.056 39.640 3.416 18901 8294 1 14 . 1 1 68 68 TYR H H 68 7.539 7.539 7.552 -0.013 18901 8295 1 14 . 1 1 69 69 CYS N N 69 127.927 127.927 117.096 10.831 18901 8296 1 14 . 1 1 69 69 CYS HA H 69 5.069 5.069 3.686 1.383 18901 8297 1 14 . 1 1 69 69 CYS C C 69 174.094 174.094 174.486 -0.392 18901 8298 1 14 . 1 1 69 69 CYS CA C 69 57.190 57.190 59.066 -1.876 18901 8299 1 14 . 1 1 69 69 CYS CB C 69 27.990 27.990 25.633 2.357 18901 8300 1 14 . 1 1 69 69 CYS H H 69 7.601 7.601 6.932 0.669 18901 8301 1 14 . 1 1 70 70 GLY N N 70 114.822 114.822 109.298 5.524 18901 8302 1 14 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.663 2.483 18901 8303 1 14 . 1 1 70 70 GLY H H 70 8.336 8.336 7.792 0.544 18901 8304 1 14 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.393 0.155 18901 8305 1 14 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.000 0.664 18901 8306 1 14 . 1 1 72 72 SER N N 72 112.451 112.451 113.494 -1.043 18901 8307 1 14 . 1 1 72 72 SER HA H 72 4.850 4.850 4.750 0.100 18901 8308 1 14 . 1 1 72 72 SER CA C 72 56.874 56.874 54.621 2.253 18901 8309 1 14 . 1 1 72 72 SER CB C 72 63.248 63.248 64.291 -1.043 18901 8310 1 14 . 1 1 72 72 SER H H 72 7.327 7.327 7.597 -0.270 18901 8311 1 14 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.657 -0.464 18901 8312 1 14 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.967 0.588 18901 8313 1 14 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.340 -0.104 18901 8314 1 14 . 1 1 74 74 SER N N 74 111.450 111.450 109.988 1.462 18901 8315 1 14 . 1 1 74 74 SER HA H 74 3.907 3.907 4.281 -0.374 18901 8316 1 14 . 1 1 74 74 SER CA C 74 56.710 56.710 58.936 -2.226 18901 8317 1 14 . 1 1 74 74 SER CB C 74 64.647 64.647 61.391 3.256 18901 8318 1 14 . 1 1 74 74 SER H H 74 6.909 6.909 8.769 -1.860 18901 8319 1 14 . 1 1 75 75 CYS N N 75 124.103 124.103 116.703 7.400 18901 8320 1 14 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.459 -0.900 18901 8321 1 14 . 1 1 75 75 CYS C C 75 171.568 171.568 175.728 -4.160 18901 8322 1 14 . 1 1 75 75 CYS CA C 75 62.200 62.200 57.938 4.263 18901 8323 1 14 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.138 -1.887 18901 8324 1 14 . 1 1 75 75 CYS H H 75 6.017 6.017 7.975 -1.958 18901 8325 1 14 . 1 1 76 76 LEU N N 76 121.191 121.191 127.094 -5.903 18901 8326 1 14 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.354 0.469 18901 8327 1 14 . 1 1 76 76 LEU C C 76 176.786 176.786 176.448 0.338 18901 8328 1 14 . 1 1 76 76 LEU CA C 76 53.365 53.365 55.630 -2.265 18901 8329 1 14 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.803 1.423 18901 8330 1 14 . 1 1 76 76 LEU H H 76 8.015 8.015 8.521 -0.506 18901 8331 1 14 . 1 1 77 77 VAL N N 77 126.347 126.347 125.206 1.141 18901 8332 1 14 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.397 -0.145 18901 8333 1 14 . 1 1 77 77 VAL C C 77 175.529 175.529 174.776 0.753 18901 8334 1 14 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.433 0.218 18901 8335 1 14 . 1 1 77 77 VAL CB C 77 32.676 32.676 33.814 -1.138 18901 8336 1 14 . 1 1 77 77 VAL H H 77 9.084 9.084 8.944 0.140 18901 8337 1 14 . 1 1 78 78 GLN N N 78 124.566 124.566 127.072 -2.506 18901 8338 1 14 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.463 0.052 18901 8339 1 14 . 1 1 78 78 GLN C C 78 178.805 178.805 177.681 1.124 18901 8340 1 14 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.743 0.173 18901 8341 1 14 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.470 0.928 18901 8342 1 14 . 1 1 78 78 GLN H H 78 8.908 8.908 8.967 -0.059 18901 8343 1 14 . 1 1 79 79 SER N N 79 116.974 116.974 118.650 -1.676 18901 8344 1 14 . 1 1 79 79 SER HA H 79 4.087 4.087 4.213 -0.126 18901 8345 1 14 . 1 1 79 79 SER C C 79 177.179 177.179 176.296 0.883 18901 8346 1 14 . 1 1 79 79 SER CA C 79 62.454 62.454 61.575 0.879 18901 8347 1 14 . 1 1 79 79 SER CB C 79 62.787 62.787 63.051 -0.264 18901 8348 1 14 . 1 1 79 79 SER H H 79 8.458 8.458 9.025 -0.567 18901 8349 1 14 . 1 1 80 80 SER N N 80 114.734 114.734 119.014 -4.280 18901 8350 1 14 . 1 1 80 80 SER HA H 80 4.211 4.211 4.140 0.071 18901 8351 1 14 . 1 1 80 80 SER C C 80 177.853 177.853 176.057 1.796 18901 8352 1 14 . 1 1 80 80 SER CA C 80 61.190 61.190 61.123 0.067 18901 8353 1 14 . 1 1 80 80 SER CB C 80 62.358 62.358 62.910 -0.552 18901 8354 1 14 . 1 1 80 80 SER H H 80 8.537 8.537 8.728 -0.191 18901 8355 1 14 . 1 1 81 81 SER N N 81 117.137 117.137 115.967 1.170 18901 8356 1 14 . 1 1 81 81 SER HA H 81 4.455 4.455 4.374 0.081 18901 8357 1 14 . 1 1 81 81 SER C C 81 175.702 175.702 176.275 -0.573 18901 8358 1 14 . 1 1 81 81 SER CA C 81 61.433 61.433 61.135 0.298 18901 8359 1 14 . 1 1 81 81 SER CB C 81 63.130 63.130 63.597 -0.467 18901 8360 1 14 . 1 1 81 81 SER H H 81 7.514 7.514 7.700 -0.186 18901 8361 1 14 . 1 1 82 82 LEU N N 82 117.548 117.548 122.797 -5.249 18901 8362 1 14 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.159 -0.126 18901 8363 1 14 . 1 1 82 82 LEU C C 82 179.445 179.445 179.131 0.314 18901 8364 1 14 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.343 -0.641 18901 8365 1 14 . 1 1 82 82 LEU CB C 82 41.788 41.788 40.561 1.227 18901 8366 1 14 . 1 1 82 82 LEU H H 82 7.629 7.629 7.537 0.092 18901 8367 1 14 . 1 1 83 83 SER N N 83 113.258 113.258 115.810 -2.552 18901 8368 1 14 . 1 1 83 83 SER HA H 83 4.214 4.214 4.158 0.056 18901 8369 1 14 . 1 1 83 83 SER C C 83 175.256 175.256 175.536 -0.280 18901 8370 1 14 . 1 1 83 83 SER CA C 83 61.192 61.192 61.571 -0.379 18901 8371 1 14 . 1 1 83 83 SER CB C 83 63.544 63.544 63.130 0.414 18901 8372 1 14 . 1 1 83 83 SER H H 83 7.805 7.805 8.792 -0.987 18901 8373 1 14 . 1 1 84 84 ASN N N 84 116.565 116.565 116.849 -0.284 18901 8374 1 14 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.715 0.207 18901 8375 1 14 . 1 1 84 84 ASN C C 84 175.063 175.063 174.587 0.476 18901 8376 1 14 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.753 -1.081 18901 8377 1 14 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.444 0.247 18901 8378 1 14 . 1 1 84 84 ASN H H 84 7.612 7.612 7.860 -0.248 18901 8379 1 14 . 1 1 85 85 ALA N N 85 119.819 119.819 122.975 -3.156 18901 8380 1 14 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.449 -0.200 18901 8381 1 14 . 1 1 85 85 ALA C C 85 178.113 178.113 176.927 1.186 18901 8382 1 14 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.313 0.752 18901 8383 1 14 . 1 1 85 85 ALA CB C 85 19.820 19.820 18.822 0.998 18901 8384 1 14 . 1 1 85 85 ALA H H 85 7.558 7.558 7.390 0.168 18901 8385 1 14 . 1 1 86 86 HIS N N 86 118.388 118.388 125.212 -6.824 18901 8386 1 14 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.711 -0.306 18901 8387 1 14 . 1 1 86 86 HIS C C 86 175.333 175.333 174.586 0.747 18901 8388 1 14 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.178 0.441 18901 8389 1 14 . 1 1 86 86 HIS CB C 86 29.198 29.198 32.448 -3.250 18901 8390 1 14 . 1 1 86 86 HIS H H 86 8.280 8.280 8.598 -0.318 18901 8391 1 14 . 1 1 87 87 ILE N N 87 126.618 126.618 123.895 2.723 18901 8392 1 14 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.432 -0.377 18901 8393 1 14 . 1 1 87 87 ILE C C 87 174.718 174.718 175.492 -0.774 18901 8394 1 14 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.252 1.175 18901 8395 1 14 . 1 1 87 87 ILE CB C 87 37.442 37.442 39.001 -1.559 18901 8396 1 14 . 1 1 87 87 ILE H H 87 7.873 7.873 7.934 -0.061 18901 8397 1 14 . 1 1 88 88 ASP N N 88 124.684 124.684 125.984 -1.300 18901 8398 1 14 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.462 0.050 18901 8399 1 14 . 1 1 88 88 ASP C C 88 176.506 176.506 175.351 1.155 18901 8400 1 14 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.395 -1.159 18901 8401 1 14 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.145 2.616 18901 8402 1 14 . 1 1 88 88 ASP H H 88 8.572 8.572 8.856 -0.284 18901 8403 1 14 . 1 1 89 89 TYR N N 89 122.959 122.959 126.155 -3.196 18901 8404 1 14 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.611 -0.232 18901 8405 1 14 . 1 1 89 89 TYR C C 89 176.631 176.631 176.056 0.575 18901 8406 1 14 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.609 1.020 18901 8407 1 14 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.724 -0.262 18901 8408 1 14 . 1 1 89 89 TYR H H 89 8.533 8.533 8.523 0.010 18901 8409 1 14 . 1 1 90 90 THR N N 90 115.232 115.232 111.954 3.278 18901 8410 1 14 . 1 1 90 90 THR HA H 90 3.974 3.974 4.567 -0.593 18901 8411 1 14 . 1 1 90 90 THR C C 90 176.298 176.298 175.493 0.805 18901 8412 1 14 . 1 1 90 90 THR CA C 90 65.610 65.610 63.041 2.568 18901 8413 1 14 . 1 1 90 90 THR CB C 90 68.758 68.758 69.844 -1.086 18901 8414 1 14 . 1 1 90 90 THR H H 90 8.024 8.024 8.873 -0.849 18901 8415 1 14 . 1 1 91 91 THR N N 91 112.253 112.253 114.309 -2.056 18901 8416 1 14 . 1 1 91 91 THR HA H 91 4.290 4.290 4.529 -0.239 18901 8417 1 14 . 1 1 91 91 THR C C 91 174.644 174.644 174.070 0.574 18901 8418 1 14 . 1 1 91 91 THR CA C 91 61.288 61.288 62.466 -1.178 18901 8419 1 14 . 1 1 91 91 THR CB C 91 69.418 69.418 70.776 -1.358 18901 8420 1 14 . 1 1 91 91 THR H H 91 8.013 8.013 8.317 -0.304 18901 8421 1 14 . 1 1 92 92 LYS N N 92 121.833 121.833 121.214 0.619 18901 8422 1 14 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.721 -0.262 18901 8423 1 14 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.188 1.244 18901 8424 1 14 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.212 -5.789 18901 8425 1 14 . 1 1 92 92 LYS H H 92 7.883 7.883 8.346 -0.463 18901 8426 1 14 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.588 -0.377 18901 8427 1 14 . 1 1 93 93 PRO C C 93 176.775 176.775 175.568 1.207 18901 8428 1 14 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.829 0.556 18901 8429 1 14 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.957 1.257 18901 8430 1 14 . 1 1 94 94 ALA N N 94 122.487 122.487 124.987 -2.500 18901 8431 1 14 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.806 0.059 18901 8432 1 14 . 1 1 94 94 ALA C C 94 175.790 175.790 175.343 0.447 18901 8433 1 14 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.528 0.483 18901 8434 1 14 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.583 0.257 18901 8435 1 14 . 1 1 94 94 ALA H H 94 8.072 8.072 7.675 0.397 18901 8436 1 14 . 1 1 95 95 ILE N N 95 120.526 120.526 121.228 -0.702 18901 8437 1 14 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.294 -0.003 18901 8438 1 14 . 1 1 95 95 ILE C C 95 175.063 175.063 175.597 -0.534 18901 8439 1 14 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.912 -0.482 18901 8440 1 14 . 1 1 95 95 ILE CB C 95 40.656 40.656 38.991 1.665 18901 8441 1 14 . 1 1 95 95 ILE H H 95 8.099 8.099 7.976 0.123 18901 8442 1 14 . 1 1 96 96 ILE N N 96 126.053 126.053 126.967 -0.914 18901 8443 1 14 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.395 0.559 18901 8444 1 14 . 1 1 96 96 ILE C C 96 175.609 175.609 175.267 0.342 18901 8445 1 14 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.771 0.519 18901 8446 1 14 . 1 1 96 96 ILE CB C 96 39.899 39.899 36.979 2.920 18901 8447 1 14 . 1 1 96 96 ILE H H 96 9.393 9.393 8.658 0.735 18901 8448 1 14 . 1 1 97 97 PHE N N 97 120.455 120.455 126.787 -6.332 18901 8449 1 14 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.089 0.928 18901 8450 1 14 . 1 1 97 97 PHE C C 97 177.044 177.044 174.812 2.232 18901 8451 1 14 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.563 -0.794 18901 8452 1 14 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.971 0.715 18901 8453 1 14 . 1 1 97 97 PHE H H 97 8.626 8.626 9.158 -0.532 18901 8454 1 14 . 1 1 98 98 ARG N N 98 117.253 117.253 122.631 -5.378 18901 8455 1 14 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.112 0.329 18901 8456 1 14 . 1 1 98 98 ARG C C 98 176.125 176.125 174.853 1.272 18901 8457 1 14 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.916 0.047 18901 8458 1 14 . 1 1 98 98 ARG CB C 98 35.621 35.621 32.264 3.357 18901 8459 1 14 . 1 1 98 98 ARG H H 98 9.041 9.041 8.668 0.373 18901 8460 1 14 . 1 1 99 99 ILE N N 99 120.894 120.894 124.773 -3.879 18901 8461 1 14 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.982 0.037 18901 8462 1 14 . 1 1 99 99 ILE C C 99 174.486 174.486 174.028 0.458 18901 8463 1 14 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.112 0.822 18901 8464 1 14 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.077 -0.662 18901 8465 1 14 . 1 1 99 99 ILE H H 99 8.499 8.499 8.282 0.217 18901 8466 1 14 . 1 1 100 100 ALA N N 100 127.368 127.368 127.378 -0.010 18901 8467 1 14 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.918 -0.030 18901 8468 1 14 . 1 1 100 100 ALA C C 100 175.044 175.044 175.184 -0.140 18901 8469 1 14 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.770 0.585 18901 8470 1 14 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.939 1.651 18901 8471 1 14 . 1 1 100 100 ALA H H 100 8.779 8.779 7.940 0.839 18901 8472 1 14 . 1 1 101 101 ALA N N 101 123.472 123.472 123.533 -0.061 18901 8473 1 14 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.692 2.426 18901 8474 1 14 . 1 1 101 101 ALA C C 101 174.314 174.314 177.342 -3.028 18901 8475 1 14 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.249 -0.681 18901 8476 1 14 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.858 5.763 18901 8477 1 14 . 1 1 101 101 ALA H H 101 9.955 9.955 8.322 1.633 18901 8478 1 14 . 1 1 102 102 ARG N N 102 119.295 119.295 126.802 -7.507 18901 8479 1 14 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.814 0.777 18901 8480 1 14 . 1 1 102 102 ARG C C 102 176.649 176.649 174.697 1.952 18901 8481 1 14 . 1 1 102 102 ARG CA C 102 54.071 54.071 53.794 0.277 18901 8482 1 14 . 1 1 102 102 ARG CB C 102 33.170 33.170 28.634 4.536 18901 8483 1 14 . 1 1 102 102 ARG H H 102 8.474 8.474 7.675 0.799 18901 8484 1 14 . 1 1 103 103 ASN N N 103 124.198 124.198 121.070 3.128 18901 8485 1 14 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.139 0.315 18901 8486 1 14 . 1 1 103 103 ASN C C 103 176.327 176.327 176.115 0.212 18901 8487 1 14 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.510 -0.206 18901 8488 1 14 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.753 -1.094 18901 8489 1 14 . 1 1 103 103 ASN H H 103 7.816 7.816 7.958 -0.142 18901 8490 1 14 . 1 1 104 104 GLU N N 104 115.270 115.270 120.316 -5.046 18901 8491 1 14 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.855 -0.002 18901 8492 1 14 . 1 1 104 104 GLU C C 104 177.716 177.716 176.779 0.937 18901 8493 1 14 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.422 0.483 18901 8494 1 14 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.300 -0.136 18901 8495 1 14 . 1 1 104 104 GLU H H 104 9.416 9.416 8.367 1.049 18901 8496 1 14 . 1 1 105 105 LYS N N 105 116.576 116.576 114.074 2.502 18901 8497 1 14 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.315 -0.053 18901 8498 1 14 . 1 1 105 105 LYS C C 105 177.667 177.667 176.678 0.989 18901 8499 1 14 . 1 1 105 105 LYS CA C 105 57.055 57.055 55.761 1.294 18901 8500 1 14 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.259 0.792 18901 8501 1 14 . 1 1 105 105 LYS H H 105 7.737 7.737 7.814 -0.077 18901 8502 1 14 . 1 1 106 106 GLY N N 106 104.067 104.067 106.929 -2.862 18901 8503 1 14 . 1 1 106 106 GLY C C 106 172.796 172.796 173.872 -1.076 18901 8504 1 14 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.191 1.725 18901 8505 1 14 . 1 1 106 106 GLY H H 106 7.906 7.906 7.813 0.093 18901 8506 1 14 . 1 1 107 107 TYR N N 107 117.296 117.296 122.079 -4.783 18901 8507 1 14 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.701 0.048 18901 8508 1 14 . 1 1 107 107 TYR C C 107 178.772 178.772 176.380 2.392 18901 8509 1 14 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.036 1.764 18901 8510 1 14 . 1 1 107 107 TYR CB C 107 40.566 40.566 35.849 4.717 18901 8511 1 14 . 1 1 107 107 TYR H H 107 8.378 8.378 8.677 -0.299 18901 8512 1 14 . 1 1 108 108 GLY N N 108 107.379 107.379 109.179 -1.800 18901 8513 1 14 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.408 -1.146 18901 8514 1 14 . 1 1 108 108 GLY H H 108 8.651 8.651 8.130 0.521 18901 8515 1 14 . 1 1 109 109 PRO CA C 109 61.945 61.945 63.049 -1.104 18901 8516 1 14 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.584 0.287 18901 8517 1 14 . 1 1 110 110 ALA C C 110 179.404 179.404 176.732 2.672 18901 8518 1 14 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.518 -1.250 18901 8519 1 14 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.646 -1.532 18901 8520 1 14 . 1 1 111 111 THR N N 111 118.432 118.432 121.885 -3.453 18901 8521 1 14 . 1 1 111 111 THR HA H 111 4.396 4.396 4.395 0.001 18901 8522 1 14 . 1 1 111 111 THR C C 111 173.449 173.449 174.064 -0.615 18901 8523 1 14 . 1 1 111 111 THR CA C 111 61.721 61.721 62.106 -0.385 18901 8524 1 14 . 1 1 111 111 THR CB C 111 69.967 69.967 69.471 0.496 18901 8525 1 14 . 1 1 111 111 THR H H 111 8.810 8.810 8.665 0.145 18901 8526 1 14 . 1 1 112 112 GLN N N 112 127.590 127.590 128.871 -1.281 18901 8527 1 14 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.524 0.813 18901 8528 1 14 . 1 1 112 112 GLN C C 112 175.442 175.442 175.196 0.246 18901 8529 1 14 . 1 1 112 112 GLN CA C 112 54.803 54.803 56.770 -1.968 18901 8530 1 14 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.384 2.369 18901 8531 1 14 . 1 1 112 112 GLN H H 112 8.698 8.698 8.727 -0.029 18901 8532 1 14 . 1 1 113 113 VAL N N 113 123.646 123.646 127.064 -3.418 18901 8533 1 14 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.588 -0.014 18901 8534 1 14 . 1 1 113 113 VAL C C 113 173.891 173.891 174.638 -0.747 18901 8535 1 14 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.727 -0.443 18901 8536 1 14 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.172 0.892 18901 8537 1 14 . 1 1 113 113 VAL H H 113 9.101 9.101 9.209 -0.108 18901 8538 1 14 . 1 1 114 114 ARG N N 114 122.944 122.944 122.307 0.637 18901 8539 1 14 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.468 -0.535 18901 8540 1 14 . 1 1 114 114 ARG C C 114 175.683 175.683 175.622 0.061 18901 8541 1 14 . 1 1 114 114 ARG CA C 114 54.749 54.749 55.106 -0.357 18901 8542 1 14 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.817 -0.764 18901 8543 1 14 . 1 1 114 114 ARG H H 114 8.434 8.434 8.687 -0.253 18901 8544 1 14 . 1 1 115 115 TRP N N 115 126.067 126.067 125.432 0.635 18901 8545 1 14 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.966 0.291 18901 8546 1 14 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.337 -0.816 18901 8547 1 14 . 1 1 115 115 TRP CB C 115 30.048 30.048 29.466 0.582 18901 8548 1 14 . 1 1 115 115 TRP H H 115 9.944 9.944 8.851 1.093 18901 8549 1 14 . 1 1 116 116 LEU N N 116 130.031 130.031 126.238 3.793 18901 8550 1 14 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.195 0.068 18901 8551 1 14 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.740 0.956 18901 8552 1 14 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.763 -1.036 18901 8553 1 14 . 1 1 116 116 LEU H H 116 8.722 8.722 8.208 0.514 18901 8554 1 14 . 1 1 117 117 GLN N N 117 124.737 124.737 114.963 9.774 18901 8555 1 14 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.942 0.106 18901 8556 1 14 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.845 0.591 18901 8557 1 14 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.432 3.236 18901 8558 1 14 . 1 1 117 117 GLN H H 117 7.453 7.453 8.641 -1.188 18901 8559 1 14 . 1 1 118 118 GLU N N 118 118.531 118.531 118.037 0.494 18901 8560 1 14 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.268 -0.873 18901 8561 1 14 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.602 -0.920 18901 8562 1 14 . 1 1 118 118 GLU CB C 118 29.372 29.372 30.178 -0.806 18901 8563 1 14 . 1 1 118 118 GLU H H 118 7.891 7.891 8.165 -0.274 18901 8564 1 14 . 1 1 119 119 THR N N 119 121.831 121.831 112.021 9.810 18901 8565 1 14 . 1 1 119 119 THR HA H 119 4.267 4.267 4.653 -0.386 18901 8566 1 14 . 1 1 119 119 THR CA C 119 55.604 55.604 60.993 -5.389 18901 8567 1 14 . 1 1 119 119 THR CB C 119 69.285 69.285 70.785 -1.500 18901 8568 1 14 . 1 1 119 119 THR H H 119 7.892 7.892 7.778 0.114 18901 8569 1 15 . 1 1 6 6 PHE N N 6 117.872 117.872 120.812 -2.940 18901 8570 1 15 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.651 0.139 18901 8571 1 15 . 1 1 6 6 PHE CA C 6 56.026 56.026 56.730 -0.704 18901 8572 1 15 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.760 -1.500 18901 8573 1 15 . 1 1 6 6 PHE H H 6 7.818 7.818 8.730 -0.912 18901 8574 1 15 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.783 -58.597 18901 8575 1 15 . 1 1 8 8 GLY N N 8 101.657 101.657 110.528 -8.871 18901 8576 1 15 . 1 1 8 8 GLY CA C 8 44.176 44.176 45.678 -1.502 18901 8577 1 15 . 1 1 8 8 GLY H H 8 7.927 7.927 7.857 0.070 18901 8578 1 15 . 1 1 9 9 ALA N N 9 120.767 120.767 125.995 -5.228 18901 8579 1 15 . 1 1 9 9 ALA HA H 9 4.865 4.865 5.031 -0.166 18901 8580 1 15 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.210 -0.012 18901 8581 1 15 . 1 1 9 9 ALA CB C 9 18.937 18.937 21.164 -2.227 18901 8582 1 15 . 1 1 9 9 ALA H H 9 8.235 8.235 7.983 0.252 18901 8583 1 15 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.734 -0.377 18901 8584 1 15 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.584 0.729 18901 8585 1 15 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.625 0.186 18901 8586 1 15 . 1 1 11 11 CYS N N 11 114.905 114.905 116.821 -1.916 18901 8587 1 15 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.706 0.232 18901 8588 1 15 . 1 1 11 11 CYS C C 11 172.706 172.706 174.622 -1.916 18901 8589 1 15 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.622 -0.784 18901 8590 1 15 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.257 0.882 18901 8591 1 15 . 1 1 11 11 CYS H H 11 8.084 8.084 7.780 0.304 18901 8592 1 15 . 1 1 12 12 ALA N N 12 120.844 120.844 120.864 -0.020 18901 8593 1 15 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.057 -0.130 18901 8594 1 15 . 1 1 12 12 ALA C C 12 176.005 176.005 176.776 -0.771 18901 8595 1 15 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.369 -0.605 18901 8596 1 15 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.611 -0.015 18901 8597 1 15 . 1 1 12 12 ALA H H 12 8.535 8.535 8.543 -0.008 18901 8598 1 15 . 1 1 13 13 ILE N N 13 116.800 116.800 118.733 -1.933 18901 8599 1 15 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.010 0.443 18901 8600 1 15 . 1 1 13 13 ILE C C 13 177.506 177.506 175.834 1.672 18901 8601 1 15 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.455 -0.119 18901 8602 1 15 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.513 -0.645 18901 8603 1 15 . 1 1 13 13 ILE H H 13 7.802 7.802 7.800 0.002 18901 8604 1 15 . 1 1 14 14 LYS N N 14 129.030 129.030 127.540 1.490 18901 8605 1 15 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.613 -0.016 18901 8606 1 15 . 1 1 14 14 LYS C C 14 175.508 175.508 174.762 0.746 18901 8607 1 15 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.248 0.304 18901 8608 1 15 . 1 1 14 14 LYS CB C 14 35.288 35.288 34.656 0.632 18901 8609 1 15 . 1 1 14 14 LYS H H 14 9.249 9.249 8.439 0.810 18901 8610 1 15 . 1 1 15 15 ILE N N 15 121.333 121.333 125.201 -3.868 18901 8611 1 15 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.592 -0.008 18901 8612 1 15 . 1 1 15 15 ILE C C 15 175.983 175.983 175.741 0.242 18901 8613 1 15 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.938 0.870 18901 8614 1 15 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.036 0.584 18901 8615 1 15 . 1 1 15 15 ILE H H 15 8.231 8.231 8.572 -0.341 18901 8616 1 15 . 1 1 16 16 SER N N 16 120.251 120.251 122.051 -1.800 18901 8617 1 15 . 1 1 16 16 SER HA H 16 4.933 4.933 5.353 -0.420 18901 8618 1 15 . 1 1 16 16 SER C C 16 173.725 173.725 172.857 0.868 18901 8619 1 15 . 1 1 16 16 SER CA C 16 56.656 56.656 57.347 -0.691 18901 8620 1 15 . 1 1 16 16 SER CB C 16 65.750 65.750 66.900 -1.150 18901 8621 1 15 . 1 1 16 16 SER H H 16 8.694 8.694 8.669 0.025 18901 8622 1 15 . 1 1 17 17 LYS N N 17 124.155 124.155 124.827 -0.672 18901 8623 1 15 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.314 0.346 18901 8624 1 15 . 1 1 17 17 LYS C C 17 175.815 175.815 175.659 0.156 18901 8625 1 15 . 1 1 17 17 LYS CA C 17 57.275 57.275 57.070 0.205 18901 8626 1 15 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.910 0.656 18901 8627 1 15 . 1 1 17 17 LYS H H 17 8.985 8.985 9.039 -0.054 18901 8628 1 15 . 1 1 18 18 SER N N 18 121.663 121.663 116.593 5.070 18901 8629 1 15 . 1 1 18 18 SER HA H 18 5.076 5.076 4.745 0.331 18901 8630 1 15 . 1 1 18 18 SER CA C 18 56.676 56.676 55.780 0.896 18901 8631 1 15 . 1 1 18 18 SER CB C 18 64.993 64.993 64.659 0.334 18901 8632 1 15 . 1 1 18 18 SER H H 18 8.555 8.555 8.676 -0.121 18901 8633 1 15 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.269 0.065 18901 8634 1 15 . 1 1 19 19 PRO C C 19 177.406 177.406 177.569 -0.163 18901 8635 1 15 . 1 1 19 19 PRO CA C 19 65.489 65.489 65.410 0.078 18901 8636 1 15 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.879 0.186 18901 8637 1 15 . 1 1 20 20 ASP N N 20 110.573 110.573 117.897 -7.324 18901 8638 1 15 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.559 0.120 18901 8639 1 15 . 1 1 20 20 ASP C C 20 176.667 176.667 176.170 0.497 18901 8640 1 15 . 1 1 20 20 ASP CA C 20 53.558 53.558 55.049 -1.491 18901 8641 1 15 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.163 0.260 18901 8642 1 15 . 1 1 20 20 ASP H H 20 8.019 8.019 8.443 -0.424 18901 8643 1 15 . 1 1 21 21 GLY N N 21 107.592 107.592 104.450 3.142 18901 8644 1 15 . 1 1 21 21 GLY C C 21 172.365 172.365 171.896 0.469 18901 8645 1 15 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.947 0.783 18901 8646 1 15 . 1 1 21 21 GLY H H 21 7.623 7.623 7.307 0.316 18901 8647 1 15 . 1 1 22 22 ALA N N 22 123.764 123.764 123.110 0.654 18901 8648 1 15 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.130 -0.343 18901 8649 1 15 . 1 1 22 22 ALA C C 22 175.801 175.801 176.563 -0.762 18901 8650 1 15 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.186 0.593 18901 8651 1 15 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.715 0.419 18901 8652 1 15 . 1 1 22 22 ALA H H 22 8.704 8.704 8.463 0.241 18901 8653 1 15 . 1 1 23 23 HIS N N 23 120.666 120.666 124.122 -3.456 18901 8654 1 15 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.371 0.610 18901 8655 1 15 . 1 1 23 23 HIS C C 23 174.199 174.199 173.737 0.462 18901 8656 1 15 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.175 -1.908 18901 8657 1 15 . 1 1 23 23 HIS CB C 23 29.989 29.989 31.220 -1.231 18901 8658 1 15 . 1 1 23 23 HIS H H 23 9.088 9.088 8.853 0.235 18901 8659 1 15 . 1 1 24 24 LEU N N 24 127.467 127.467 124.902 2.565 18901 8660 1 15 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.194 0.986 18901 8661 1 15 . 1 1 24 24 LEU C C 24 176.430 176.430 174.987 1.443 18901 8662 1 15 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.850 1.678 18901 8663 1 15 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.591 0.366 18901 8664 1 15 . 1 1 24 24 LEU H H 24 8.702 8.702 8.143 0.559 18901 8665 1 15 . 1 1 25 25 THR N N 25 111.459 111.459 112.657 -1.198 18901 8666 1 15 . 1 1 25 25 THR HA H 25 4.186 4.186 4.108 0.078 18901 8667 1 15 . 1 1 25 25 THR C C 25 172.720 172.720 172.042 0.678 18901 8668 1 15 . 1 1 25 25 THR CA C 25 60.798 60.798 60.291 0.507 18901 8669 1 15 . 1 1 25 25 THR CB C 25 72.021 72.021 70.818 1.203 18901 8670 1 15 . 1 1 25 25 THR H H 25 8.643 8.643 7.831 0.812 18901 8671 1 15 . 1 1 26 26 TRP N N 26 117.073 117.073 121.387 -4.314 18901 8672 1 15 . 1 1 26 26 TRP HA H 26 5.033 5.033 4.850 0.183 18901 8673 1 15 . 1 1 26 26 TRP C C 26 173.425 173.425 175.797 -2.372 18901 8674 1 15 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.927 0.760 18901 8675 1 15 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.945 -1.788 18901 8676 1 15 . 1 1 26 26 TRP H H 26 7.301 7.301 8.038 -0.737 18901 8677 1 15 . 1 1 27 27 GLU N N 27 115.563 115.563 121.713 -6.150 18901 8678 1 15 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.493 0.329 18901 8679 1 15 . 1 1 27 27 GLU CA C 27 52.889 52.889 55.443 -2.554 18901 8680 1 15 . 1 1 27 27 GLU CB C 27 30.830 30.830 29.478 1.352 18901 8681 1 15 . 1 1 27 27 GLU H H 27 8.753 8.753 8.431 0.322 18901 8682 1 15 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.737 -0.398 18901 8683 1 15 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.331 4.216 18901 8684 1 15 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.534 0.607 18901 8685 1 15 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.486 -0.201 18901 8686 1 15 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.212 -1.232 18901 8687 1 15 . 1 1 29 29 PRO CB C 29 32.884 32.884 30.790 2.094 18901 8688 1 15 . 1 1 30 30 SER N N 30 110.838 110.838 118.609 -7.771 18901 8689 1 15 . 1 1 30 30 SER HA H 30 3.910 3.910 4.652 -0.742 18901 8690 1 15 . 1 1 30 30 SER CA C 30 56.967 56.967 58.490 -1.523 18901 8691 1 15 . 1 1 30 30 SER CB C 30 64.771 64.771 64.433 0.338 18901 8692 1 15 . 1 1 30 30 SER H H 30 8.317 8.317 8.409 -0.092 18901 8693 1 15 . 1 1 31 31 VAL N N 31 114.209 114.209 121.428 -7.219 18901 8694 1 15 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.319 -0.111 18901 8695 1 15 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.586 -0.806 18901 8696 1 15 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.953 -0.182 18901 8697 1 15 . 1 1 31 31 VAL H H 31 8.320 8.320 7.651 0.669 18901 8698 1 15 . 1 1 32 32 THR N N 32 119.600 119.600 112.088 7.512 18901 8699 1 15 . 1 1 32 32 THR HA H 32 4.179 4.179 4.455 -0.276 18901 8700 1 15 . 1 1 32 32 THR CA C 32 60.465 60.465 62.146 -1.681 18901 8701 1 15 . 1 1 32 32 THR CB C 32 63.211 63.211 69.991 -6.780 18901 8702 1 15 . 1 1 32 32 THR H H 32 7.828 7.828 8.412 -0.584 18901 8703 1 15 . 1 1 33 33 SER N N 33 115.967 115.967 118.648 -2.681 18901 8704 1 15 . 1 1 33 33 SER HA H 33 4.179 4.179 4.205 -0.026 18901 8705 1 15 . 1 1 33 33 SER C C 33 174.332 174.332 175.251 -0.919 18901 8706 1 15 . 1 1 33 33 SER CA C 33 60.428 60.428 59.312 1.116 18901 8707 1 15 . 1 1 33 33 SER CB C 33 62.209 62.209 62.766 -0.557 18901 8708 1 15 . 1 1 33 33 SER H H 33 8.292 8.292 8.329 -0.037 18901 8709 1 15 . 1 1 34 34 GLY N N 34 106.879 106.879 109.257 -2.378 18901 8710 1 15 . 1 1 34 34 GLY C C 34 173.709 173.709 173.617 0.092 18901 8711 1 15 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.553 -0.182 18901 8712 1 15 . 1 1 34 34 GLY H H 34 7.848 7.848 7.842 0.006 18901 8713 1 15 . 1 1 35 35 LYS N N 35 122.205 122.205 123.360 -1.155 18901 8714 1 15 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.332 -0.022 18901 8715 1 15 . 1 1 35 35 LYS C C 35 176.262 176.262 175.653 0.609 18901 8716 1 15 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.829 -0.158 18901 8717 1 15 . 1 1 35 35 LYS CB C 35 34.247 34.247 31.821 2.426 18901 8718 1 15 . 1 1 35 35 LYS H H 35 8.628 8.628 8.388 0.240 18901 8719 1 15 . 1 1 36 36 ILE N N 36 120.178 120.178 125.823 -5.645 18901 8720 1 15 . 1 1 36 36 ILE HA H 36 4.121 4.121 3.880 0.241 18901 8721 1 15 . 1 1 36 36 ILE C C 36 177.751 177.751 176.883 0.868 18901 8722 1 15 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.187 -3.265 18901 8723 1 15 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.360 -3.048 18901 8724 1 15 . 1 1 36 36 ILE H H 36 8.344 8.344 8.211 0.133 18901 8725 1 15 . 1 1 37 37 ILE N N 37 122.285 122.285 120.704 1.581 18901 8726 1 15 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.521 -0.304 18901 8727 1 15 . 1 1 37 37 ILE C C 37 176.085 176.085 175.336 0.749 18901 8728 1 15 . 1 1 37 37 ILE CA C 37 60.942 60.942 60.852 0.090 18901 8729 1 15 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.217 -0.418 18901 8730 1 15 . 1 1 37 37 ILE H H 37 8.460 8.460 8.794 -0.334 18901 8731 1 15 . 1 1 38 38 GLU N N 38 116.489 116.489 119.146 -2.657 18901 8732 1 15 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.577 -0.408 18901 8733 1 15 . 1 1 38 38 GLU C C 38 171.864 171.864 173.970 -2.106 18901 8734 1 15 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.572 0.404 18901 8735 1 15 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.854 1.626 18901 8736 1 15 . 1 1 38 38 GLU H H 38 7.143 7.143 7.515 -0.372 18901 8737 1 15 . 1 1 39 39 TYR N N 39 118.418 118.418 116.432 1.986 18901 8738 1 15 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.705 0.990 18901 8739 1 15 . 1 1 39 39 TYR C C 39 176.190 176.190 174.546 1.644 18901 8740 1 15 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.505 -0.594 18901 8741 1 15 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.039 0.697 18901 8742 1 15 . 1 1 39 39 TYR H H 39 8.860 8.860 8.591 0.270 18901 8743 1 15 . 1 1 40 40 SER N N 40 111.613 111.613 112.354 -0.741 18901 8744 1 15 . 1 1 40 40 SER HA H 40 5.497 5.497 4.694 0.803 18901 8745 1 15 . 1 1 40 40 SER C C 40 172.888 172.888 172.189 0.699 18901 8746 1 15 . 1 1 40 40 SER CA C 40 58.729 58.729 56.839 1.890 18901 8747 1 15 . 1 1 40 40 SER CB C 40 69.596 69.596 66.827 2.769 18901 8748 1 15 . 1 1 40 40 SER H H 40 8.705 8.705 8.167 0.538 18901 8749 1 15 . 1 1 41 41 VAL N N 41 119.202 119.202 121.281 -2.079 18901 8750 1 15 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.339 0.497 18901 8751 1 15 . 1 1 41 41 VAL C C 41 175.106 175.106 174.333 0.773 18901 8752 1 15 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.833 -1.167 18901 8753 1 15 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.302 0.389 18901 8754 1 15 . 1 1 41 41 VAL H H 41 8.428 8.428 8.350 0.078 18901 8755 1 15 . 1 1 42 42 TYR N N 42 124.792 124.792 126.108 -1.316 18901 8756 1 15 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.608 0.888 18901 8757 1 15 . 1 1 42 42 TYR C C 42 174.659 174.659 174.357 0.302 18901 8758 1 15 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.554 0.206 18901 8759 1 15 . 1 1 42 42 TYR CB C 42 42.396 42.396 36.984 5.412 18901 8760 1 15 . 1 1 42 42 TYR H H 42 9.773 9.773 8.138 1.635 18901 8761 1 15 . 1 1 43 43 LEU N N 43 123.210 123.210 125.881 -2.671 18901 8762 1 15 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.135 1.118 18901 8763 1 15 . 1 1 43 43 LEU C C 43 176.296 176.296 175.612 0.684 18901 8764 1 15 . 1 1 43 43 LEU CA C 43 53.346 53.346 54.847 -1.501 18901 8765 1 15 . 1 1 43 43 LEU CB C 43 48.549 48.549 43.396 5.153 18901 8766 1 15 . 1 1 43 43 LEU H H 43 9.368 9.368 8.362 1.006 18901 8767 1 15 . 1 1 44 44 ALA N N 44 127.556 127.556 128.005 -0.449 18901 8768 1 15 . 1 1 44 44 ALA HA H 44 4.324 4.324 5.250 -0.926 18901 8769 1 15 . 1 1 44 44 ALA C C 44 178.318 178.318 177.016 1.302 18901 8770 1 15 . 1 1 44 44 ALA CA C 44 51.744 51.744 50.931 0.813 18901 8771 1 15 . 1 1 44 44 ALA CB C 44 18.649 18.649 20.395 -1.746 18901 8772 1 15 . 1 1 44 44 ALA H H 44 8.366 8.366 8.253 0.113 18901 8773 1 15 . 1 1 45 45 ILE N N 45 119.672 119.672 115.888 3.784 18901 8774 1 15 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.051 -0.308 18901 8775 1 15 . 1 1 45 45 ILE C C 45 175.937 175.937 175.717 0.220 18901 8776 1 15 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.291 0.829 18901 8777 1 15 . 1 1 45 45 ILE CB C 45 41.789 41.789 40.605 1.184 18901 8778 1 15 . 1 1 45 45 ILE H H 45 8.599 8.599 7.863 0.736 18901 8779 1 15 . 1 1 46 46 GLN N N 46 120.248 120.248 119.943 0.305 18901 8780 1 15 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.315 0.092 18901 8781 1 15 . 1 1 46 46 GLN C C 46 176.355 176.355 175.849 0.506 18901 8782 1 15 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.621 -1.807 18901 8783 1 15 . 1 1 46 46 GLN CB C 46 29.840 29.840 29.302 0.538 18901 8784 1 15 . 1 1 46 46 GLN H H 46 8.207 8.207 8.527 -0.320 18901 8785 1 15 . 1 1 47 47 SER N N 47 117.541 117.541 114.113 3.428 18901 8786 1 15 . 1 1 47 47 SER HA H 47 4.445 4.445 4.243 0.202 18901 8787 1 15 . 1 1 47 47 SER C C 47 175.100 175.100 172.928 2.172 18901 8788 1 15 . 1 1 47 47 SER CA C 47 57.957 57.957 59.144 -1.187 18901 8789 1 15 . 1 1 47 47 SER CB C 47 64.188 64.188 63.085 1.103 18901 8790 1 15 . 1 1 47 47 SER H H 47 8.316 8.316 8.453 -0.137 18901 8791 1 15 . 1 1 48 48 SER N N 48 116.421 116.421 116.246 0.175 18901 8792 1 15 . 1 1 48 48 SER HA H 48 4.446 4.446 4.724 -0.278 18901 8793 1 15 . 1 1 48 48 SER CA C 48 58.395 58.395 58.234 0.161 18901 8794 1 15 . 1 1 48 48 SER CB C 48 63.932 63.932 64.072 -0.140 18901 8795 1 15 . 1 1 48 48 SER H H 48 8.096 8.096 8.422 -0.326 18901 8796 1 15 . 1 1 49 49 GLN N N 49 120.755 120.755 119.422 1.333 18901 8797 1 15 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.576 -0.265 18901 8798 1 15 . 1 1 49 49 GLN C C 49 176.420 176.420 174.737 1.683 18901 8799 1 15 . 1 1 49 49 GLN CA C 49 55.842 55.842 54.700 1.142 18901 8800 1 15 . 1 1 49 49 GLN CB C 49 29.751 29.751 32.058 -2.307 18901 8801 1 15 . 1 1 49 49 GLN H H 49 8.308 8.308 7.699 0.609 18901 8802 1 15 . 1 1 50 50 ALA N N 50 124.199 124.199 122.298 1.901 18901 8803 1 15 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.076 0.236 18901 8804 1 15 . 1 1 50 50 ALA C C 50 178.375 178.375 175.887 2.488 18901 8805 1 15 . 1 1 50 50 ALA CA C 50 52.620 52.620 53.386 -0.766 18901 8806 1 15 . 1 1 50 50 ALA CB C 50 19.453 19.453 17.152 2.301 18901 8807 1 15 . 1 1 50 50 ALA H H 50 8.219 8.219 8.457 -0.238 18901 8808 1 15 . 1 1 51 51 SER N N 51 113.652 113.652 112.964 0.688 18901 8809 1 15 . 1 1 51 51 SER HA H 51 4.307 4.307 4.457 -0.150 18901 8810 1 15 . 1 1 51 51 SER C C 51 175.739 175.739 173.328 2.411 18901 8811 1 15 . 1 1 51 51 SER CA C 51 52.695 52.695 56.628 -3.933 18901 8812 1 15 . 1 1 51 51 SER CB C 51 62.104 62.104 64.448 -2.344 18901 8813 1 15 . 1 1 51 51 SER H H 51 8.148 8.148 7.872 0.276 18901 8814 1 15 . 1 1 52 52 GLY N N 52 109.442 109.442 112.035 -2.593 18901 8815 1 15 . 1 1 52 52 GLY C C 52 174.511 174.511 173.088 1.423 18901 8816 1 15 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.703 -0.305 18901 8817 1 15 . 1 1 52 52 GLY H H 52 8.267 8.267 8.113 0.154 18901 8818 1 15 . 1 1 53 53 GLU N N 53 120.137 120.137 124.571 -4.434 18901 8819 1 15 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.406 0.147 18901 8820 1 15 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.682 0.373 18901 8821 1 15 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.525 0.319 18901 8822 1 15 . 1 1 53 53 GLU H H 53 7.951 7.951 8.000 -0.049 18901 8823 1 15 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.309 0.056 18901 8824 1 15 . 1 1 54 54 PRO C C 54 177.830 177.830 175.517 2.313 18901 8825 1 15 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.433 1.277 18901 8826 1 15 . 1 1 54 54 PRO CB C 54 32.712 32.712 30.300 2.412 18901 8827 1 15 . 1 1 55 55 LYS N N 55 119.406 119.406 121.546 -2.140 18901 8828 1 15 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.919 0.346 18901 8829 1 15 . 1 1 55 55 LYS C C 55 177.347 177.347 176.630 0.717 18901 8830 1 15 . 1 1 55 55 LYS CA C 55 56.697 56.697 55.184 1.513 18901 8831 1 15 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.803 0.443 18901 8832 1 15 . 1 1 55 55 LYS H H 55 8.315 8.315 8.096 0.219 18901 8833 1 15 . 1 1 56 56 SER N N 56 114.624 114.624 113.225 1.399 18901 8834 1 15 . 1 1 56 56 SER HA H 56 4.564 4.564 4.120 0.444 18901 8835 1 15 . 1 1 56 56 SER C C 56 175.285 175.285 173.373 1.912 18901 8836 1 15 . 1 1 56 56 SER CA C 56 60.090 60.090 59.771 0.319 18901 8837 1 15 . 1 1 56 56 SER CB C 56 63.305 63.305 62.750 0.555 18901 8838 1 15 . 1 1 56 56 SER H H 56 8.090 8.090 8.467 -0.377 18901 8839 1 15 . 1 1 57 57 SER N N 57 116.016 116.016 114.107 1.909 18901 8840 1 15 . 1 1 57 57 SER HA H 57 4.455 4.455 4.569 -0.114 18901 8841 1 15 . 1 1 57 57 SER C C 57 174.988 174.988 172.559 2.429 18901 8842 1 15 . 1 1 57 57 SER CA C 57 58.332 58.332 58.063 0.269 18901 8843 1 15 . 1 1 57 57 SER CB C 57 63.876 63.876 64.862 -0.986 18901 8844 1 15 . 1 1 57 57 SER H H 57 8.224 8.224 7.846 0.378 18901 8845 1 15 . 1 1 58 58 THR N N 58 116.090 116.090 118.189 -2.099 18901 8846 1 15 . 1 1 58 58 THR HA H 58 4.602 4.602 4.596 0.006 18901 8847 1 15 . 1 1 58 58 THR CA C 58 59.935 59.935 59.617 0.318 18901 8848 1 15 . 1 1 58 58 THR CB C 58 69.773 69.773 69.446 0.327 18901 8849 1 15 . 1 1 58 58 THR H H 58 7.939 7.939 8.405 -0.466 18901 8850 1 15 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.616 -0.335 18901 8851 1 15 . 1 1 59 59 PRO C C 59 177.272 177.272 175.675 1.597 18901 8852 1 15 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.460 -0.384 18901 8853 1 15 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.386 2.392 18901 8854 1 15 . 1 1 60 60 ALA N N 60 122.319 122.319 125.249 -2.930 18901 8855 1 15 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.321 -0.102 18901 8856 1 15 . 1 1 60 60 ALA C C 60 178.277 178.277 176.146 2.131 18901 8857 1 15 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.185 0.315 18901 8858 1 15 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.688 -1.229 18901 8859 1 15 . 1 1 60 60 ALA H H 60 8.156 8.156 7.738 0.418 18901 8860 1 15 . 1 1 61 61 GLN N N 61 117.680 117.680 124.829 -7.149 18901 8861 1 15 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.276 0.002 18901 8862 1 15 . 1 1 61 61 GLN C C 61 176.148 176.148 175.166 0.982 18901 8863 1 15 . 1 1 61 61 GLN CA C 61 55.525 55.525 54.844 0.681 18901 8864 1 15 . 1 1 61 61 GLN CB C 61 30.044 30.044 27.299 2.745 18901 8865 1 15 . 1 1 61 61 GLN H H 61 8.016 8.016 8.485 -0.469 18901 8866 1 15 . 1 1 62 62 LEU N N 62 121.805 121.805 121.380 0.425 18901 8867 1 15 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.022 0.107 18901 8868 1 15 . 1 1 62 62 LEU C C 62 176.202 176.202 175.969 0.233 18901 8869 1 15 . 1 1 62 62 LEU CA C 62 54.574 54.574 54.182 0.392 18901 8870 1 15 . 1 1 62 62 LEU CB C 62 43.290 43.290 41.780 1.510 18901 8871 1 15 . 1 1 62 62 LEU H H 62 7.968 7.968 7.409 0.559 18901 8872 1 15 . 1 1 63 63 ALA N N 63 124.947 124.947 119.150 5.797 18901 8873 1 15 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.539 -0.043 18901 8874 1 15 . 1 1 63 63 ALA C C 63 176.252 176.252 175.992 0.260 18901 8875 1 15 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.043 -0.245 18901 8876 1 15 . 1 1 63 63 ALA CB C 63 20.646 20.646 21.343 -0.697 18901 8877 1 15 . 1 1 63 63 ALA H H 63 8.434 8.434 7.676 0.758 18901 8878 1 15 . 1 1 64 64 PHE N N 64 117.099 117.099 121.524 -4.425 18901 8879 1 15 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.288 -0.204 18901 8880 1 15 . 1 1 64 64 PHE C C 64 176.403 176.403 174.629 1.774 18901 8881 1 15 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.363 1.370 18901 8882 1 15 . 1 1 64 64 PHE CB C 64 42.810 42.810 43.190 -0.380 18901 8883 1 15 . 1 1 64 64 PHE H H 64 8.446 8.446 7.950 0.496 18901 8884 1 15 . 1 1 65 65 MET N N 65 120.470 120.470 120.886 -0.416 18901 8885 1 15 . 1 1 65 65 MET HA H 65 4.902 4.902 4.581 0.321 18901 8886 1 15 . 1 1 65 65 MET CA C 65 53.984 53.984 56.690 -2.706 18901 8887 1 15 . 1 1 65 65 MET CB C 65 36.825 36.825 34.522 2.303 18901 8888 1 15 . 1 1 65 65 MET H H 65 9.050 9.050 9.072 -0.022 18901 8889 1 15 . 1 1 66 66 ARG N N 66 120.685 120.685 120.968 -0.283 18901 8890 1 15 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.388 -0.245 18901 8891 1 15 . 1 1 66 66 ARG C C 66 176.916 176.916 176.182 0.734 18901 8892 1 15 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.753 1.209 18901 8893 1 15 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.788 2.284 18901 8894 1 15 . 1 1 66 66 ARG H H 66 7.540 7.540 8.493 -0.953 18901 8895 1 15 . 1 1 67 67 VAL N N 67 117.677 117.677 116.251 1.426 18901 8896 1 15 . 1 1 67 67 VAL HA H 67 4.714 4.714 4.213 0.501 18901 8897 1 15 . 1 1 67 67 VAL C C 67 175.777 175.777 175.360 0.417 18901 8898 1 15 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.222 -2.303 18901 8899 1 15 . 1 1 67 67 VAL CB C 67 33.414 33.414 32.067 1.347 18901 8900 1 15 . 1 1 67 67 VAL H H 67 8.859 8.859 8.144 0.715 18901 8901 1 15 . 1 1 68 68 TYR N N 68 120.707 120.707 121.514 -0.807 18901 8902 1 15 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.791 -0.014 18901 8903 1 15 . 1 1 68 68 TYR C C 68 173.712 173.712 173.935 -0.223 18901 8904 1 15 . 1 1 68 68 TYR CA C 68 58.305 58.305 58.222 0.083 18901 8905 1 15 . 1 1 68 68 TYR CB C 68 43.056 43.056 39.585 3.471 18901 8906 1 15 . 1 1 68 68 TYR H H 68 7.539 7.539 7.650 -0.111 18901 8907 1 15 . 1 1 69 69 CYS N N 69 127.927 127.927 123.686 4.241 18901 8908 1 15 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.769 0.300 18901 8909 1 15 . 1 1 69 69 CYS C C 69 174.094 174.094 173.569 0.525 18901 8910 1 15 . 1 1 69 69 CYS CA C 69 57.190 57.190 59.071 -1.881 18901 8911 1 15 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.071 -0.081 18901 8912 1 15 . 1 1 69 69 CYS H H 69 7.601 7.601 8.824 -1.223 18901 8913 1 15 . 1 1 70 70 GLY N N 70 114.822 114.822 110.036 4.786 18901 8914 1 15 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.062 2.084 18901 8915 1 15 . 1 1 70 70 GLY H H 70 8.336 8.336 7.792 0.544 18901 8916 1 15 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.558 -0.010 18901 8917 1 15 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.257 0.407 18901 8918 1 15 . 1 1 72 72 SER N N 72 112.451 112.451 118.227 -5.776 18901 8919 1 15 . 1 1 72 72 SER HA H 72 4.850 4.850 4.390 0.460 18901 8920 1 15 . 1 1 72 72 SER CA C 72 56.874 56.874 58.347 -1.473 18901 8921 1 15 . 1 1 72 72 SER CB C 72 63.248 63.248 63.042 0.206 18901 8922 1 15 . 1 1 72 72 SER H H 72 7.327 7.327 8.199 -0.872 18901 8923 1 15 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.574 -0.381 18901 8924 1 15 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.339 0.216 18901 8925 1 15 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.250 -0.014 18901 8926 1 15 . 1 1 74 74 SER N N 74 111.450 111.450 112.037 -0.587 18901 8927 1 15 . 1 1 74 74 SER HA H 74 3.907 3.907 4.055 -0.148 18901 8928 1 15 . 1 1 74 74 SER CA C 74 56.710 56.710 58.825 -2.115 18901 8929 1 15 . 1 1 74 74 SER CB C 74 64.647 64.647 60.677 3.970 18901 8930 1 15 . 1 1 74 74 SER H H 74 6.909 6.909 8.730 -1.821 18901 8931 1 15 . 1 1 75 75 CYS N N 75 124.103 124.103 120.550 3.553 18901 8932 1 15 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.309 -0.750 18901 8933 1 15 . 1 1 75 75 CYS C C 75 171.568 171.568 174.631 -3.063 18901 8934 1 15 . 1 1 75 75 CYS CA C 75 62.200 62.200 59.601 2.599 18901 8935 1 15 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.767 -2.516 18901 8936 1 15 . 1 1 75 75 CYS H H 75 6.017 6.017 8.273 -2.256 18901 8937 1 15 . 1 1 76 76 LEU N N 76 121.191 121.191 123.432 -2.241 18901 8938 1 15 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.897 -0.074 18901 8939 1 15 . 1 1 76 76 LEU C C 76 176.786 176.786 175.498 1.288 18901 8940 1 15 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.348 -0.983 18901 8941 1 15 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.993 1.233 18901 8942 1 15 . 1 1 76 76 LEU H H 76 8.015 8.015 7.974 0.041 18901 8943 1 15 . 1 1 77 77 VAL N N 77 126.347 126.347 119.860 6.487 18901 8944 1 15 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.394 -0.142 18901 8945 1 15 . 1 1 77 77 VAL C C 77 175.529 175.529 175.234 0.295 18901 8946 1 15 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.214 0.437 18901 8947 1 15 . 1 1 77 77 VAL CB C 77 32.676 32.676 34.431 -1.755 18901 8948 1 15 . 1 1 77 77 VAL H H 77 9.084 9.084 8.343 0.741 18901 8949 1 15 . 1 1 78 78 GLN N N 78 124.566 124.566 126.235 -1.669 18901 8950 1 15 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.266 0.249 18901 8951 1 15 . 1 1 78 78 GLN C C 78 178.805 178.805 177.653 1.152 18901 8952 1 15 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.822 0.094 18901 8953 1 15 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.383 1.015 18901 8954 1 15 . 1 1 78 78 GLN H H 78 8.908 8.908 8.819 0.089 18901 8955 1 15 . 1 1 79 79 SER N N 79 116.974 116.974 120.673 -3.699 18901 8956 1 15 . 1 1 79 79 SER HA H 79 4.087 4.087 4.103 -0.016 18901 8957 1 15 . 1 1 79 79 SER C C 79 177.179 177.179 176.097 1.082 18901 8958 1 15 . 1 1 79 79 SER CA C 79 62.454 62.454 61.941 0.513 18901 8959 1 15 . 1 1 79 79 SER CB C 79 62.787 62.787 62.849 -0.062 18901 8960 1 15 . 1 1 79 79 SER H H 79 8.458 8.458 9.106 -0.648 18901 8961 1 15 . 1 1 80 80 SER N N 80 114.734 114.734 117.279 -2.545 18901 8962 1 15 . 1 1 80 80 SER HA H 80 4.211 4.211 4.217 -0.006 18901 8963 1 15 . 1 1 80 80 SER C C 80 177.853 177.853 175.791 2.062 18901 8964 1 15 . 1 1 80 80 SER CA C 80 61.190 61.190 61.045 0.145 18901 8965 1 15 . 1 1 80 80 SER CB C 80 62.358 62.358 62.761 -0.403 18901 8966 1 15 . 1 1 80 80 SER H H 80 8.537 8.537 8.325 0.212 18901 8967 1 15 . 1 1 81 81 SER N N 81 117.137 117.137 114.337 2.800 18901 8968 1 15 . 1 1 81 81 SER HA H 81 4.455 4.455 4.463 -0.008 18901 8969 1 15 . 1 1 81 81 SER C C 81 175.702 175.702 175.717 -0.015 18901 8970 1 15 . 1 1 81 81 SER CA C 81 61.433 61.433 60.395 1.038 18901 8971 1 15 . 1 1 81 81 SER CB C 81 63.130 63.130 63.642 -0.512 18901 8972 1 15 . 1 1 81 81 SER H H 81 7.514 7.514 8.023 -0.509 18901 8973 1 15 . 1 1 82 82 LEU N N 82 117.548 117.548 121.623 -4.075 18901 8974 1 15 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.383 -0.350 18901 8975 1 15 . 1 1 82 82 LEU C C 82 179.445 179.445 178.106 1.339 18901 8976 1 15 . 1 1 82 82 LEU CA C 82 56.702 56.702 56.987 -0.285 18901 8977 1 15 . 1 1 82 82 LEU CB C 82 41.788 41.788 42.479 -0.691 18901 8978 1 15 . 1 1 82 82 LEU H H 82 7.629 7.629 7.872 -0.243 18901 8979 1 15 . 1 1 83 83 SER N N 83 113.258 113.258 115.792 -2.534 18901 8980 1 15 . 1 1 83 83 SER HA H 83 4.214 4.214 4.322 -0.108 18901 8981 1 15 . 1 1 83 83 SER C C 83 175.256 175.256 174.878 0.378 18901 8982 1 15 . 1 1 83 83 SER CA C 83 61.192 61.192 60.565 0.627 18901 8983 1 15 . 1 1 83 83 SER CB C 83 63.544 63.544 62.949 0.595 18901 8984 1 15 . 1 1 83 83 SER H H 83 7.805 7.805 8.089 -0.284 18901 8985 1 15 . 1 1 84 84 ASN N N 84 116.565 116.565 118.138 -1.573 18901 8986 1 15 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.901 0.021 18901 8987 1 15 . 1 1 84 84 ASN C C 84 175.063 175.063 173.772 1.291 18901 8988 1 15 . 1 1 84 84 ASN CA C 84 52.672 52.672 52.649 0.023 18901 8989 1 15 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.214 0.477 18901 8990 1 15 . 1 1 84 84 ASN H H 84 7.612 7.612 8.092 -0.480 18901 8991 1 15 . 1 1 85 85 ALA N N 85 119.819 119.819 122.875 -3.056 18901 8992 1 15 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.728 -0.479 18901 8993 1 15 . 1 1 85 85 ALA C C 85 178.113 178.113 177.217 0.896 18901 8994 1 15 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.404 1.661 18901 8995 1 15 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.852 -0.032 18901 8996 1 15 . 1 1 85 85 ALA H H 85 7.558 7.558 7.387 0.171 18901 8997 1 15 . 1 1 86 86 HIS N N 86 118.388 118.388 120.686 -2.298 18901 8998 1 15 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.452 -0.047 18901 8999 1 15 . 1 1 86 86 HIS C C 86 175.333 175.333 174.380 0.953 18901 9000 1 15 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.342 -0.723 18901 9001 1 15 . 1 1 86 86 HIS CB C 86 29.198 29.198 29.539 -0.341 18901 9002 1 15 . 1 1 86 86 HIS H H 86 8.280 8.280 8.233 0.047 18901 9003 1 15 . 1 1 87 87 ILE N N 87 126.618 126.618 126.603 0.015 18901 9004 1 15 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.446 -0.391 18901 9005 1 15 . 1 1 87 87 ILE C C 87 174.718 174.718 176.418 -1.700 18901 9006 1 15 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.574 0.853 18901 9007 1 15 . 1 1 87 87 ILE CB C 87 37.442 37.442 36.708 0.734 18901 9008 1 15 . 1 1 87 87 ILE H H 87 7.873 7.873 7.821 0.052 18901 9009 1 15 . 1 1 88 88 ASP N N 88 124.684 124.684 127.655 -2.971 18901 9010 1 15 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.575 -0.063 18901 9011 1 15 . 1 1 88 88 ASP C C 88 176.506 176.506 175.886 0.620 18901 9012 1 15 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.368 -1.131 18901 9013 1 15 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.280 2.481 18901 9014 1 15 . 1 1 88 88 ASP H H 88 8.572 8.572 8.570 0.002 18901 9015 1 15 . 1 1 89 89 TYR N N 89 122.959 122.959 121.840 1.119 18901 9016 1 15 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.678 -0.299 18901 9017 1 15 . 1 1 89 89 TYR C C 89 176.631 176.631 175.991 0.640 18901 9018 1 15 . 1 1 89 89 TYR CA C 89 58.629 58.629 58.024 0.605 18901 9019 1 15 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.459 -0.997 18901 9020 1 15 . 1 1 89 89 TYR H H 89 8.533 8.533 8.853 -0.320 18901 9021 1 15 . 1 1 90 90 THR N N 90 115.232 115.232 113.283 1.949 18901 9022 1 15 . 1 1 90 90 THR HA H 90 3.974 3.974 4.327 -0.353 18901 9023 1 15 . 1 1 90 90 THR C C 90 176.298 176.298 174.829 1.469 18901 9024 1 15 . 1 1 90 90 THR CA C 90 65.610 65.610 63.533 2.077 18901 9025 1 15 . 1 1 90 90 THR CB C 90 68.758 68.758 69.005 -0.247 18901 9026 1 15 . 1 1 90 90 THR H H 90 8.024 8.024 8.397 -0.373 18901 9027 1 15 . 1 1 91 91 THR N N 91 112.253 112.253 107.661 4.592 18901 9028 1 15 . 1 1 91 91 THR HA H 91 4.290 4.290 4.298 -0.008 18901 9029 1 15 . 1 1 91 91 THR C C 91 174.644 174.644 173.545 1.099 18901 9030 1 15 . 1 1 91 91 THR CA C 91 61.288 61.288 62.044 -0.756 18901 9031 1 15 . 1 1 91 91 THR CB C 91 69.418 69.418 70.044 -0.626 18901 9032 1 15 . 1 1 91 91 THR H H 91 8.013 8.013 7.581 0.432 18901 9033 1 15 . 1 1 92 92 LYS N N 92 121.833 121.833 122.359 -0.526 18901 9034 1 15 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.589 -0.130 18901 9035 1 15 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.584 0.848 18901 9036 1 15 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.069 -5.646 18901 9037 1 15 . 1 1 92 92 LYS H H 92 7.883 7.883 7.656 0.227 18901 9038 1 15 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.746 -0.535 18901 9039 1 15 . 1 1 93 93 PRO C C 93 176.775 176.775 175.725 1.050 18901 9040 1 15 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.619 0.766 18901 9041 1 15 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.901 0.313 18901 9042 1 15 . 1 1 94 94 ALA N N 94 122.487 122.487 126.443 -3.956 18901 9043 1 15 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.865 -0.000 18901 9044 1 15 . 1 1 94 94 ALA C C 94 175.790 175.790 175.068 0.722 18901 9045 1 15 . 1 1 94 94 ALA CA C 94 51.011 51.011 51.522 -0.511 18901 9046 1 15 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.465 0.374 18901 9047 1 15 . 1 1 94 94 ALA H H 94 8.072 8.072 7.778 0.294 18901 9048 1 15 . 1 1 95 95 ILE N N 95 120.526 120.526 118.594 1.932 18901 9049 1 15 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.873 -0.582 18901 9050 1 15 . 1 1 95 95 ILE C C 95 175.063 175.063 175.402 -0.339 18901 9051 1 15 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.309 0.121 18901 9052 1 15 . 1 1 95 95 ILE CB C 95 40.656 40.656 41.153 -0.497 18901 9053 1 15 . 1 1 95 95 ILE H H 95 8.099 8.099 8.591 -0.492 18901 9054 1 15 . 1 1 96 96 ILE N N 96 126.053 126.053 125.829 0.224 18901 9055 1 15 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.896 0.058 18901 9056 1 15 . 1 1 96 96 ILE C C 96 175.609 175.609 175.546 0.063 18901 9057 1 15 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.824 0.466 18901 9058 1 15 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.331 2.568 18901 9059 1 15 . 1 1 96 96 ILE H H 96 9.393 9.393 8.318 1.075 18901 9060 1 15 . 1 1 97 97 PHE N N 97 120.455 120.455 125.842 -5.387 18901 9061 1 15 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.863 1.154 18901 9062 1 15 . 1 1 97 97 PHE C C 97 177.044 177.044 174.353 2.691 18901 9063 1 15 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.736 -0.967 18901 9064 1 15 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.415 0.271 18901 9065 1 15 . 1 1 97 97 PHE H H 97 8.626 8.626 8.191 0.435 18901 9066 1 15 . 1 1 98 98 ARG N N 98 117.253 117.253 119.989 -2.736 18901 9067 1 15 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.695 0.746 18901 9068 1 15 . 1 1 98 98 ARG C C 98 176.125 176.125 174.387 1.738 18901 9069 1 15 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.143 -0.180 18901 9070 1 15 . 1 1 98 98 ARG CB C 98 35.621 35.621 30.685 4.936 18901 9071 1 15 . 1 1 98 98 ARG H H 98 9.041 9.041 8.806 0.235 18901 9072 1 15 . 1 1 99 99 ILE N N 99 120.894 120.894 123.528 -2.634 18901 9073 1 15 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.656 0.363 18901 9074 1 15 . 1 1 99 99 ILE C C 99 174.486 174.486 174.284 0.202 18901 9075 1 15 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.478 0.456 18901 9076 1 15 . 1 1 99 99 ILE CB C 99 41.415 41.415 39.396 2.019 18901 9077 1 15 . 1 1 99 99 ILE H H 99 8.499 8.499 7.955 0.544 18901 9078 1 15 . 1 1 100 100 ALA N N 100 127.368 127.368 128.369 -1.001 18901 9079 1 15 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.837 0.051 18901 9080 1 15 . 1 1 100 100 ALA C C 100 175.044 175.044 174.896 0.148 18901 9081 1 15 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.738 0.618 18901 9082 1 15 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.182 1.408 18901 9083 1 15 . 1 1 100 100 ALA H H 100 8.779 8.779 8.023 0.756 18901 9084 1 15 . 1 1 101 101 ALA N N 101 123.472 123.472 122.924 0.548 18901 9085 1 15 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.245 1.873 18901 9086 1 15 . 1 1 101 101 ALA C C 101 174.314 174.314 176.477 -2.163 18901 9087 1 15 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.114 0.454 18901 9088 1 15 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.987 5.634 18901 9089 1 15 . 1 1 101 101 ALA H H 101 9.955 9.955 8.409 1.546 18901 9090 1 15 . 1 1 102 102 ARG N N 102 119.295 119.295 125.658 -6.363 18901 9091 1 15 . 1 1 102 102 ARG HA H 102 4.591 4.591 2.380 2.211 18901 9092 1 15 . 1 1 102 102 ARG C C 102 176.649 176.649 174.098 2.551 18901 9093 1 15 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.777 -0.706 18901 9094 1 15 . 1 1 102 102 ARG CB C 102 33.170 33.170 28.585 4.585 18901 9095 1 15 . 1 1 102 102 ARG H H 102 8.474 8.474 7.287 1.187 18901 9096 1 15 . 1 1 103 103 ASN N N 103 124.198 124.198 122.632 1.566 18901 9097 1 15 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.314 0.140 18901 9098 1 15 . 1 1 103 103 ASN C C 103 176.327 176.327 176.488 -0.161 18901 9099 1 15 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.341 -0.037 18901 9100 1 15 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.495 -1.836 18901 9101 1 15 . 1 1 103 103 ASN H H 103 7.816 7.816 7.848 -0.032 18901 9102 1 15 . 1 1 104 104 GLU N N 104 115.270 115.270 119.588 -4.318 18901 9103 1 15 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.050 -0.197 18901 9104 1 15 . 1 1 104 104 GLU C C 104 177.716 177.716 177.886 -0.170 18901 9105 1 15 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.035 0.870 18901 9106 1 15 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.688 -0.524 18901 9107 1 15 . 1 1 104 104 GLU H H 104 9.416 9.416 8.574 0.842 18901 9108 1 15 . 1 1 105 105 LYS N N 105 116.576 116.576 118.012 -1.436 18901 9109 1 15 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.342 -0.080 18901 9110 1 15 . 1 1 105 105 LYS C C 105 177.667 177.667 177.346 0.321 18901 9111 1 15 . 1 1 105 105 LYS CA C 105 57.055 57.055 55.996 1.059 18901 9112 1 15 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.990 0.060 18901 9113 1 15 . 1 1 105 105 LYS H H 105 7.737 7.737 8.405 -0.668 18901 9114 1 15 . 1 1 106 106 GLY N N 106 104.067 104.067 107.887 -3.820 18901 9115 1 15 . 1 1 106 106 GLY C C 106 172.796 172.796 173.912 -1.116 18901 9116 1 15 . 1 1 106 106 GLY CA C 106 45.916 45.916 45.685 0.231 18901 9117 1 15 . 1 1 106 106 GLY H H 106 7.906 7.906 7.996 -0.090 18901 9118 1 15 . 1 1 107 107 TYR N N 107 117.296 117.296 114.258 3.038 18901 9119 1 15 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.142 0.607 18901 9120 1 15 . 1 1 107 107 TYR C C 107 178.772 178.772 174.896 3.876 18901 9121 1 15 . 1 1 107 107 TYR CA C 107 59.800 59.800 56.581 3.219 18901 9122 1 15 . 1 1 107 107 TYR CB C 107 40.566 40.566 35.098 5.468 18901 9123 1 15 . 1 1 107 107 TYR H H 107 8.378 8.378 8.169 0.209 18901 9124 1 15 . 1 1 108 108 GLY N N 108 107.379 107.379 108.238 -0.859 18901 9125 1 15 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.133 -0.871 18901 9126 1 15 . 1 1 108 108 GLY H H 108 8.651 8.651 8.691 -0.040 18901 9127 1 15 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.871 -0.926 18901 9128 1 15 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.859 0.012 18901 9129 1 15 . 1 1 110 110 ALA C C 110 179.404 179.404 176.707 2.697 18901 9130 1 15 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.213 0.055 18901 9131 1 15 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.700 -2.585 18901 9132 1 15 . 1 1 111 111 THR N N 111 118.432 118.432 116.138 2.294 18901 9133 1 15 . 1 1 111 111 THR HA H 111 4.396 4.396 4.433 -0.037 18901 9134 1 15 . 1 1 111 111 THR C C 111 173.449 173.449 174.415 -0.966 18901 9135 1 15 . 1 1 111 111 THR CA C 111 61.721 61.721 62.011 -0.290 18901 9136 1 15 . 1 1 111 111 THR CB C 111 69.967 69.967 69.329 0.638 18901 9137 1 15 . 1 1 111 111 THR H H 111 8.810 8.810 8.267 0.543 18901 9138 1 15 . 1 1 112 112 GLN N N 112 127.590 127.590 130.618 -3.028 18901 9139 1 15 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.663 0.674 18901 9140 1 15 . 1 1 112 112 GLN C C 112 175.442 175.442 175.562 -0.120 18901 9141 1 15 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.125 -0.322 18901 9142 1 15 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.133 3.620 18901 9143 1 15 . 1 1 112 112 GLN H H 112 8.698 8.698 8.879 -0.181 18901 9144 1 15 . 1 1 113 113 VAL N N 113 123.646 123.646 120.211 3.435 18901 9145 1 15 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.200 0.374 18901 9146 1 15 . 1 1 113 113 VAL C C 113 173.891 173.891 174.580 -0.689 18901 9147 1 15 . 1 1 113 113 VAL CA C 113 60.284 60.284 62.627 -2.343 18901 9148 1 15 . 1 1 113 113 VAL CB C 113 36.064 36.064 32.864 3.200 18901 9149 1 15 . 1 1 113 113 VAL H H 113 9.101 9.101 7.981 1.120 18901 9150 1 15 . 1 1 114 114 ARG N N 114 122.944 122.944 123.076 -0.132 18901 9151 1 15 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.078 -0.145 18901 9152 1 15 . 1 1 114 114 ARG C C 114 175.683 175.683 176.151 -0.468 18901 9153 1 15 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.783 -0.034 18901 9154 1 15 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.766 0.287 18901 9155 1 15 . 1 1 114 114 ARG H H 114 8.434 8.434 8.487 -0.053 18901 9156 1 15 . 1 1 115 115 TRP N N 115 126.067 126.067 128.333 -2.266 18901 9157 1 15 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.789 0.468 18901 9158 1 15 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.161 -0.640 18901 9159 1 15 . 1 1 115 115 TRP CB C 115 30.048 30.048 29.012 1.036 18901 9160 1 15 . 1 1 115 115 TRP H H 115 9.944 9.944 9.243 0.701 18901 9161 1 15 . 1 1 116 116 LEU N N 116 130.031 130.031 125.591 4.440 18901 9162 1 15 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.226 0.037 18901 9163 1 15 . 1 1 116 116 LEU CA C 116 55.697 55.697 56.104 -0.407 18901 9164 1 15 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.159 0.568 18901 9165 1 15 . 1 1 116 116 LEU H H 116 8.722 8.722 8.132 0.590 18901 9166 1 15 . 1 1 117 117 GLN N N 117 124.737 124.737 118.655 6.082 18901 9167 1 15 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.110 -0.062 18901 9168 1 15 . 1 1 117 117 GLN CA C 117 57.436 57.436 55.680 1.756 18901 9169 1 15 . 1 1 117 117 GLN CB C 117 31.668 31.668 29.123 2.545 18901 9170 1 15 . 1 1 117 117 GLN H H 117 7.453 7.453 7.939 -0.486 18901 9171 1 15 . 1 1 118 118 GLU N N 118 118.531 118.531 118.576 -0.045 18901 9172 1 15 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.212 -0.817 18901 9173 1 15 . 1 1 118 118 GLU CA C 118 54.682 54.682 54.621 0.061 18901 9174 1 15 . 1 1 118 118 GLU CB C 118 29.372 29.372 31.305 -1.933 18901 9175 1 15 . 1 1 118 118 GLU H H 118 7.891 7.891 7.096 0.795 18901 9176 1 15 . 1 1 119 119 THR N N 119 121.831 121.831 112.965 8.866 18901 9177 1 15 . 1 1 119 119 THR HA H 119 4.267 4.267 4.573 -0.306 18901 9178 1 15 . 1 1 119 119 THR CA C 119 55.604 55.604 61.505 -5.901 18901 9179 1 15 . 1 1 119 119 THR CB C 119 69.285 69.285 71.286 -2.001 18901 9180 1 15 . 1 1 119 119 THR H H 119 7.892 7.892 8.264 -0.372 18901 9181 1 16 . 1 1 6 6 PHE N N 6 117.872 117.872 120.195 -2.323 18901 9182 1 16 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.643 0.147 18901 9183 1 16 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.926 1.100 18901 9184 1 16 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.093 -0.833 18901 9185 1 16 . 1 1 6 6 PHE H H 6 7.818 7.818 8.330 -0.512 18901 9186 1 16 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.499 -59.313 18901 9187 1 16 . 1 1 8 8 GLY N N 8 101.657 101.657 106.471 -4.814 18901 9188 1 16 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.021 0.155 18901 9189 1 16 . 1 1 8 8 GLY H H 8 7.927 7.927 7.852 0.075 18901 9190 1 16 . 1 1 9 9 ALA N N 9 120.767 120.767 123.087 -2.320 18901 9191 1 16 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.753 0.112 18901 9192 1 16 . 1 1 9 9 ALA CA C 9 50.198 50.198 49.949 0.249 18901 9193 1 16 . 1 1 9 9 ALA CB C 9 18.937 18.937 21.109 -2.172 18901 9194 1 16 . 1 1 9 9 ALA H H 9 8.235 8.235 8.105 0.130 18901 9195 1 16 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.801 -0.444 18901 9196 1 16 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.919 0.393 18901 9197 1 16 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.310 0.501 18901 9198 1 16 . 1 1 11 11 CYS N N 11 114.905 114.905 114.109 0.796 18901 9199 1 16 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.835 0.103 18901 9200 1 16 . 1 1 11 11 CYS C C 11 172.706 172.706 174.794 -2.088 18901 9201 1 16 . 1 1 11 11 CYS CA C 11 56.838 56.838 56.721 0.117 18901 9202 1 16 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.344 0.795 18901 9203 1 16 . 1 1 11 11 CYS H H 11 8.084 8.084 7.869 0.215 18901 9204 1 16 . 1 1 12 12 ALA N N 12 120.844 120.844 120.125 0.719 18901 9205 1 16 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.011 -0.084 18901 9206 1 16 . 1 1 12 12 ALA C C 12 176.005 176.005 176.710 -0.705 18901 9207 1 16 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.349 -0.585 18901 9208 1 16 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.058 0.538 18901 9209 1 16 . 1 1 12 12 ALA H H 12 8.535 8.535 8.686 -0.151 18901 9210 1 16 . 1 1 13 13 ILE N N 13 116.800 116.800 118.348 -1.548 18901 9211 1 16 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.303 0.150 18901 9212 1 16 . 1 1 13 13 ILE C C 13 177.506 177.506 176.345 1.161 18901 9213 1 16 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.668 -0.333 18901 9214 1 16 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.088 -0.220 18901 9215 1 16 . 1 1 13 13 ILE H H 13 7.802 7.802 7.911 -0.109 18901 9216 1 16 . 1 1 14 14 LYS N N 14 129.030 129.030 127.511 1.519 18901 9217 1 16 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.744 -0.147 18901 9218 1 16 . 1 1 14 14 LYS C C 14 175.508 175.508 174.502 1.006 18901 9219 1 16 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.125 0.427 18901 9220 1 16 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.741 -1.453 18901 9221 1 16 . 1 1 14 14 LYS H H 14 9.249 9.249 8.577 0.672 18901 9222 1 16 . 1 1 15 15 ILE N N 15 121.333 121.333 121.589 -0.256 18901 9223 1 16 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.614 -0.030 18901 9224 1 16 . 1 1 15 15 ILE C C 15 175.983 175.983 175.687 0.296 18901 9225 1 16 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.386 0.422 18901 9226 1 16 . 1 1 15 15 ILE CB C 15 40.620 40.620 39.831 0.789 18901 9227 1 16 . 1 1 15 15 ILE H H 15 8.231 8.231 8.558 -0.327 18901 9228 1 16 . 1 1 16 16 SER N N 16 120.251 120.251 123.020 -2.769 18901 9229 1 16 . 1 1 16 16 SER HA H 16 4.933 4.933 4.901 0.032 18901 9230 1 16 . 1 1 16 16 SER C C 16 173.725 173.725 172.911 0.814 18901 9231 1 16 . 1 1 16 16 SER CA C 16 56.656 56.656 57.151 -0.495 18901 9232 1 16 . 1 1 16 16 SER CB C 16 65.750 65.750 65.253 0.497 18901 9233 1 16 . 1 1 16 16 SER H H 16 8.694 8.694 7.994 0.700 18901 9234 1 16 . 1 1 17 17 LYS N N 17 124.155 124.155 120.852 3.303 18901 9235 1 16 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.481 0.179 18901 9236 1 16 . 1 1 17 17 LYS C C 17 175.815 175.815 174.604 1.211 18901 9237 1 16 . 1 1 17 17 LYS CA C 17 57.275 57.275 55.741 1.534 18901 9238 1 16 . 1 1 17 17 LYS CB C 17 34.566 34.566 35.039 -0.473 18901 9239 1 16 . 1 1 17 17 LYS H H 17 8.985 8.985 8.287 0.698 18901 9240 1 16 . 1 1 18 18 SER N N 18 121.663 121.663 117.185 4.478 18901 9241 1 16 . 1 1 18 18 SER HA H 18 5.076 5.076 4.930 0.146 18901 9242 1 16 . 1 1 18 18 SER CA C 18 56.676 56.676 56.465 0.211 18901 9243 1 16 . 1 1 18 18 SER CB C 18 64.993 64.993 64.964 0.029 18901 9244 1 16 . 1 1 18 18 SER H H 18 8.555 8.555 8.294 0.261 18901 9245 1 16 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.591 -0.257 18901 9246 1 16 . 1 1 19 19 PRO C C 19 177.406 177.406 175.657 1.749 18901 9247 1 16 . 1 1 19 19 PRO CA C 19 65.489 65.489 63.634 1.855 18901 9248 1 16 . 1 1 19 19 PRO CB C 19 32.065 32.065 30.818 1.247 18901 9249 1 16 . 1 1 20 20 ASP N N 20 110.573 110.573 119.722 -9.149 18901 9250 1 16 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.722 -0.043 18901 9251 1 16 . 1 1 20 20 ASP C C 20 176.667 176.667 174.651 2.016 18901 9252 1 16 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.740 -1.182 18901 9253 1 16 . 1 1 20 20 ASP CB C 20 41.423 41.423 43.800 -2.377 18901 9254 1 16 . 1 1 20 20 ASP H H 20 8.019 8.019 8.655 -0.636 18901 9255 1 16 . 1 1 21 21 GLY N N 21 107.592 107.592 106.360 1.232 18901 9256 1 16 . 1 1 21 21 GLY C C 21 172.365 172.365 171.655 0.710 18901 9257 1 16 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.587 0.142 18901 9258 1 16 . 1 1 21 21 GLY H H 21 7.623 7.623 7.412 0.211 18901 9259 1 16 . 1 1 22 22 ALA N N 22 123.764 123.764 122.039 1.725 18901 9260 1 16 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.802 -0.015 18901 9261 1 16 . 1 1 22 22 ALA C C 22 175.801 175.801 176.860 -1.059 18901 9262 1 16 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.198 0.581 18901 9263 1 16 . 1 1 22 22 ALA CB C 22 21.134 21.134 20.736 0.398 18901 9264 1 16 . 1 1 22 22 ALA H H 22 8.704 8.704 8.246 0.458 18901 9265 1 16 . 1 1 23 23 HIS N N 23 120.666 120.666 124.716 -4.050 18901 9266 1 16 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.223 0.758 18901 9267 1 16 . 1 1 23 23 HIS C C 23 174.199 174.199 174.256 -0.057 18901 9268 1 16 . 1 1 23 23 HIS CA C 23 54.267 54.267 55.000 -0.733 18901 9269 1 16 . 1 1 23 23 HIS CB C 23 29.989 29.989 27.525 2.464 18901 9270 1 16 . 1 1 23 23 HIS H H 23 9.088 9.088 8.930 0.158 18901 9271 1 16 . 1 1 24 24 LEU N N 24 127.467 127.467 125.975 1.492 18901 9272 1 16 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.194 0.986 18901 9273 1 16 . 1 1 24 24 LEU C C 24 176.430 176.430 175.575 0.855 18901 9274 1 16 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.501 1.027 18901 9275 1 16 . 1 1 24 24 LEU CB C 24 44.957 44.957 40.495 4.462 18901 9276 1 16 . 1 1 24 24 LEU H H 24 8.702 8.702 7.697 1.005 18901 9277 1 16 . 1 1 25 25 THR N N 25 111.459 111.459 118.420 -6.961 18901 9278 1 16 . 1 1 25 25 THR HA H 25 4.186 4.186 3.945 0.241 18901 9279 1 16 . 1 1 25 25 THR C C 25 172.720 172.720 172.381 0.339 18901 9280 1 16 . 1 1 25 25 THR CA C 25 60.798 60.798 59.666 1.132 18901 9281 1 16 . 1 1 25 25 THR CB C 25 72.021 72.021 71.028 0.993 18901 9282 1 16 . 1 1 25 25 THR H H 25 8.643 8.643 8.219 0.424 18901 9283 1 16 . 1 1 26 26 TRP N N 26 117.073 117.073 122.800 -5.727 18901 9284 1 16 . 1 1 26 26 TRP HA H 26 5.033 5.033 4.898 0.135 18901 9285 1 16 . 1 1 26 26 TRP C C 26 173.425 173.425 173.231 0.194 18901 9286 1 16 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.682 0.005 18901 9287 1 16 . 1 1 26 26 TRP CB C 26 30.157 30.157 30.217 -0.060 18901 9288 1 16 . 1 1 26 26 TRP H H 26 7.301 7.301 7.468 -0.167 18901 9289 1 16 . 1 1 27 27 GLU N N 27 115.563 115.563 118.818 -3.255 18901 9290 1 16 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.805 0.017 18901 9291 1 16 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.218 -0.329 18901 9292 1 16 . 1 1 27 27 GLU CB C 27 30.830 30.830 31.946 -1.116 18901 9293 1 16 . 1 1 27 27 GLU H H 27 8.753 8.753 8.667 0.086 18901 9294 1 16 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.862 -0.523 18901 9295 1 16 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.716 3.831 18901 9296 1 16 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.759 1.383 18901 9297 1 16 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.578 -0.293 18901 9298 1 16 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.164 -1.184 18901 9299 1 16 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.807 0.077 18901 9300 1 16 . 1 1 30 30 SER N N 30 110.838 110.838 119.768 -8.930 18901 9301 1 16 . 1 1 30 30 SER HA H 30 3.910 3.910 4.698 -0.788 18901 9302 1 16 . 1 1 30 30 SER CA C 30 56.967 56.967 57.181 -0.214 18901 9303 1 16 . 1 1 30 30 SER CB C 30 64.771 64.771 62.859 1.912 18901 9304 1 16 . 1 1 30 30 SER H H 30 8.317 8.317 8.611 -0.294 18901 9305 1 16 . 1 1 31 31 VAL N N 31 114.209 114.209 118.215 -4.006 18901 9306 1 16 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.541 -0.333 18901 9307 1 16 . 1 1 31 31 VAL CA C 31 61.780 61.780 61.804 -0.024 18901 9308 1 16 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.720 0.051 18901 9309 1 16 . 1 1 31 31 VAL H H 31 8.320 8.320 7.684 0.636 18901 9310 1 16 . 1 1 32 32 THR N N 32 119.600 119.600 114.007 5.593 18901 9311 1 16 . 1 1 32 32 THR HA H 32 4.179 4.179 4.624 -0.445 18901 9312 1 16 . 1 1 32 32 THR CA C 32 60.465 60.465 60.793 -0.328 18901 9313 1 16 . 1 1 32 32 THR CB C 32 63.211 63.211 71.661 -8.450 18901 9314 1 16 . 1 1 32 32 THR H H 32 7.828 7.828 7.939 -0.111 18901 9315 1 16 . 1 1 33 33 SER N N 33 115.967 115.967 117.317 -1.350 18901 9316 1 16 . 1 1 33 33 SER HA H 33 4.179 4.179 4.309 -0.130 18901 9317 1 16 . 1 1 33 33 SER C C 33 174.332 174.332 175.212 -0.880 18901 9318 1 16 . 1 1 33 33 SER CA C 33 60.428 60.428 59.941 0.487 18901 9319 1 16 . 1 1 33 33 SER CB C 33 62.209 62.209 62.803 -0.594 18901 9320 1 16 . 1 1 33 33 SER H H 33 8.292 8.292 8.634 -0.342 18901 9321 1 16 . 1 1 34 34 GLY N N 34 106.879 106.879 109.573 -2.694 18901 9322 1 16 . 1 1 34 34 GLY C C 34 173.709 173.709 173.592 0.117 18901 9323 1 16 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.649 -0.278 18901 9324 1 16 . 1 1 34 34 GLY H H 34 7.848 7.848 7.877 -0.029 18901 9325 1 16 . 1 1 35 35 LYS N N 35 122.205 122.205 120.093 2.112 18901 9326 1 16 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.617 -0.307 18901 9327 1 16 . 1 1 35 35 LYS C C 35 176.262 176.262 175.476 0.786 18901 9328 1 16 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.092 0.579 18901 9329 1 16 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.983 1.264 18901 9330 1 16 . 1 1 35 35 LYS H H 35 8.628 8.628 8.361 0.267 18901 9331 1 16 . 1 1 36 36 ILE N N 36 120.178 120.178 122.039 -1.861 18901 9332 1 16 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.123 -0.002 18901 9333 1 16 . 1 1 36 36 ILE C C 36 177.751 177.751 177.178 0.573 18901 9334 1 16 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.729 -3.808 18901 9335 1 16 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.477 -3.164 18901 9336 1 16 . 1 1 36 36 ILE H H 36 8.344 8.344 8.248 0.096 18901 9337 1 16 . 1 1 37 37 ILE N N 37 122.285 122.285 120.996 1.289 18901 9338 1 16 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.629 -0.412 18901 9339 1 16 . 1 1 37 37 ILE C C 37 176.085 176.085 175.865 0.220 18901 9340 1 16 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.187 -0.245 18901 9341 1 16 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.194 -0.395 18901 9342 1 16 . 1 1 37 37 ILE H H 37 8.460 8.460 8.970 -0.510 18901 9343 1 16 . 1 1 38 38 GLU N N 38 116.489 116.489 117.655 -1.166 18901 9344 1 16 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.758 -0.589 18901 9345 1 16 . 1 1 38 38 GLU C C 38 171.864 171.864 174.143 -2.279 18901 9346 1 16 . 1 1 38 38 GLU CA C 38 55.976 55.976 56.227 -0.251 18901 9347 1 16 . 1 1 38 38 GLU CB C 38 34.480 34.480 34.337 0.143 18901 9348 1 16 . 1 1 38 38 GLU H H 38 7.143 7.143 7.707 -0.564 18901 9349 1 16 . 1 1 39 39 TYR N N 39 118.418 118.418 118.983 -0.565 18901 9350 1 16 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.016 0.679 18901 9351 1 16 . 1 1 39 39 TYR C C 39 176.190 176.190 173.892 2.298 18901 9352 1 16 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.707 -0.796 18901 9353 1 16 . 1 1 39 39 TYR CB C 39 43.736 43.736 44.051 -0.315 18901 9354 1 16 . 1 1 39 39 TYR H H 39 8.860 8.860 9.179 -0.319 18901 9355 1 16 . 1 1 40 40 SER N N 40 111.613 111.613 113.572 -1.959 18901 9356 1 16 . 1 1 40 40 SER HA H 40 5.497 5.497 5.224 0.273 18901 9357 1 16 . 1 1 40 40 SER C C 40 172.888 172.888 171.932 0.956 18901 9358 1 16 . 1 1 40 40 SER CA C 40 58.729 58.729 56.646 2.083 18901 9359 1 16 . 1 1 40 40 SER CB C 40 69.596 69.596 65.891 3.705 18901 9360 1 16 . 1 1 40 40 SER H H 40 8.705 8.705 8.632 0.073 18901 9361 1 16 . 1 1 41 41 VAL N N 41 119.202 119.202 123.012 -3.810 18901 9362 1 16 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.588 0.248 18901 9363 1 16 . 1 1 41 41 VAL C C 41 175.106 175.106 174.610 0.496 18901 9364 1 16 . 1 1 41 41 VAL CA C 41 60.666 60.666 60.456 0.210 18901 9365 1 16 . 1 1 41 41 VAL CB C 41 34.691 34.691 35.055 -0.364 18901 9366 1 16 . 1 1 41 41 VAL H H 41 8.428 8.428 8.273 0.155 18901 9367 1 16 . 1 1 42 42 TYR N N 42 124.792 124.792 123.807 0.985 18901 9368 1 16 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.221 0.275 18901 9369 1 16 . 1 1 42 42 TYR C C 42 174.659 174.659 174.466 0.193 18901 9370 1 16 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.113 0.647 18901 9371 1 16 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.540 2.856 18901 9372 1 16 . 1 1 42 42 TYR H H 42 9.773 9.773 8.824 0.949 18901 9373 1 16 . 1 1 43 43 LEU N N 43 123.210 123.210 125.192 -1.982 18901 9374 1 16 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.537 0.716 18901 9375 1 16 . 1 1 43 43 LEU C C 43 176.296 176.296 174.674 1.622 18901 9376 1 16 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.113 1.233 18901 9377 1 16 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.090 2.459 18901 9378 1 16 . 1 1 43 43 LEU H H 43 9.368 9.368 8.784 0.584 18901 9379 1 16 . 1 1 44 44 ALA N N 44 127.556 127.556 128.504 -0.948 18901 9380 1 16 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.441 -0.117 18901 9381 1 16 . 1 1 44 44 ALA C C 44 178.318 178.318 176.364 1.954 18901 9382 1 16 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.792 -0.048 18901 9383 1 16 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.194 -0.545 18901 9384 1 16 . 1 1 44 44 ALA H H 44 8.366 8.366 7.585 0.781 18901 9385 1 16 . 1 1 45 45 ILE N N 45 119.672 119.672 119.794 -0.122 18901 9386 1 16 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.127 -0.384 18901 9387 1 16 . 1 1 45 45 ILE C C 45 175.937 175.937 174.590 1.347 18901 9388 1 16 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.327 1.793 18901 9389 1 16 . 1 1 45 45 ILE CB C 45 41.789 41.789 42.227 -0.438 18901 9390 1 16 . 1 1 45 45 ILE H H 45 8.599 8.599 8.186 0.413 18901 9391 1 16 . 1 1 46 46 GLN N N 46 120.248 120.248 120.568 -0.320 18901 9392 1 16 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.646 -0.239 18901 9393 1 16 . 1 1 46 46 GLN C C 46 176.355 176.355 174.815 1.540 18901 9394 1 16 . 1 1 46 46 GLN CA C 46 55.814 55.814 55.354 0.460 18901 9395 1 16 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.791 2.049 18901 9396 1 16 . 1 1 46 46 GLN H H 46 8.207 8.207 8.118 0.089 18901 9397 1 16 . 1 1 47 47 SER N N 47 117.541 117.541 117.093 0.448 18901 9398 1 16 . 1 1 47 47 SER HA H 47 4.445 4.445 4.609 -0.164 18901 9399 1 16 . 1 1 47 47 SER C C 47 175.100 175.100 174.187 0.913 18901 9400 1 16 . 1 1 47 47 SER CA C 47 57.957 57.957 57.456 0.501 18901 9401 1 16 . 1 1 47 47 SER CB C 47 64.188 64.188 64.937 -0.749 18901 9402 1 16 . 1 1 47 47 SER H H 47 8.316 8.316 8.057 0.259 18901 9403 1 16 . 1 1 48 48 SER N N 48 116.421 116.421 116.425 -0.004 18901 9404 1 16 . 1 1 48 48 SER HA H 48 4.446 4.446 4.499 -0.053 18901 9405 1 16 . 1 1 48 48 SER CA C 48 58.395 58.395 58.516 -0.121 18901 9406 1 16 . 1 1 48 48 SER CB C 48 63.932 63.932 63.520 0.412 18901 9407 1 16 . 1 1 48 48 SER H H 48 8.096 8.096 8.502 -0.406 18901 9408 1 16 . 1 1 49 49 GLN N N 49 120.755 120.755 118.539 2.216 18901 9409 1 16 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.085 0.226 18901 9410 1 16 . 1 1 49 49 GLN C C 49 176.420 176.420 173.996 2.424 18901 9411 1 16 . 1 1 49 49 GLN CA C 49 55.842 55.842 56.075 -0.233 18901 9412 1 16 . 1 1 49 49 GLN CB C 49 29.751 29.751 27.668 2.083 18901 9413 1 16 . 1 1 49 49 GLN H H 49 8.308 8.308 8.459 -0.151 18901 9414 1 16 . 1 1 50 50 ALA N N 50 124.199 124.199 125.314 -1.115 18901 9415 1 16 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.706 -0.394 18901 9416 1 16 . 1 1 50 50 ALA C C 50 178.375 178.375 176.334 2.041 18901 9417 1 16 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.008 0.612 18901 9418 1 16 . 1 1 50 50 ALA CB C 50 19.453 19.453 21.114 -1.661 18901 9419 1 16 . 1 1 50 50 ALA H H 50 8.219 8.219 8.144 0.075 18901 9420 1 16 . 1 1 51 51 SER N N 51 113.652 113.652 116.035 -2.383 18901 9421 1 16 . 1 1 51 51 SER HA H 51 4.307 4.307 4.478 -0.171 18901 9422 1 16 . 1 1 51 51 SER C C 51 175.739 175.739 173.185 2.554 18901 9423 1 16 . 1 1 51 51 SER CA C 51 52.695 52.695 59.175 -6.480 18901 9424 1 16 . 1 1 51 51 SER CB C 51 62.104 62.104 64.440 -2.336 18901 9425 1 16 . 1 1 51 51 SER H H 51 8.148 8.148 8.547 -0.399 18901 9426 1 16 . 1 1 52 52 GLY N N 52 109.442 109.442 110.705 -1.263 18901 9427 1 16 . 1 1 52 52 GLY C C 52 174.511 174.511 173.240 1.271 18901 9428 1 16 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.499 -0.101 18901 9429 1 16 . 1 1 52 52 GLY H H 52 8.267 8.267 8.363 -0.096 18901 9430 1 16 . 1 1 53 53 GLU N N 53 120.137 120.137 120.055 0.082 18901 9431 1 16 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.984 -0.431 18901 9432 1 16 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.294 0.761 18901 9433 1 16 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.240 -0.396 18901 9434 1 16 . 1 1 53 53 GLU H H 53 7.951 7.951 7.934 0.017 18901 9435 1 16 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.444 -0.079 18901 9436 1 16 . 1 1 54 54 PRO C C 54 177.830 177.830 176.229 1.601 18901 9437 1 16 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.733 0.977 18901 9438 1 16 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.352 0.360 18901 9439 1 16 . 1 1 55 55 LYS N N 55 119.406 119.406 118.267 1.139 18901 9440 1 16 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.980 0.285 18901 9441 1 16 . 1 1 55 55 LYS C C 55 177.347 177.347 176.866 0.481 18901 9442 1 16 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.700 -0.003 18901 9443 1 16 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.247 1.999 18901 9444 1 16 . 1 1 55 55 LYS H H 55 8.315 8.315 8.577 -0.262 18901 9445 1 16 . 1 1 56 56 SER N N 56 114.624 114.624 117.593 -2.969 18901 9446 1 16 . 1 1 56 56 SER HA H 56 4.564 4.564 4.401 0.163 18901 9447 1 16 . 1 1 56 56 SER C C 56 175.285 175.285 174.033 1.252 18901 9448 1 16 . 1 1 56 56 SER CA C 56 60.090 60.090 59.356 0.734 18901 9449 1 16 . 1 1 56 56 SER CB C 56 63.305 63.305 62.038 1.266 18901 9450 1 16 . 1 1 56 56 SER H H 56 8.090 8.090 8.720 -0.630 18901 9451 1 16 . 1 1 57 57 SER N N 57 116.016 116.016 115.636 0.380 18901 9452 1 16 . 1 1 57 57 SER HA H 57 4.455 4.455 4.664 -0.209 18901 9453 1 16 . 1 1 57 57 SER C C 57 174.988 174.988 174.575 0.413 18901 9454 1 16 . 1 1 57 57 SER CA C 57 58.332 58.332 57.943 0.389 18901 9455 1 16 . 1 1 57 57 SER CB C 57 63.876 63.876 64.647 -0.771 18901 9456 1 16 . 1 1 57 57 SER H H 57 8.224 8.224 8.245 -0.021 18901 9457 1 16 . 1 1 58 58 THR N N 58 116.090 116.090 120.982 -4.892 18901 9458 1 16 . 1 1 58 58 THR HA H 58 4.602 4.602 4.388 0.214 18901 9459 1 16 . 1 1 58 58 THR CA C 58 59.935 59.935 60.545 -0.610 18901 9460 1 16 . 1 1 58 58 THR CB C 58 69.773 69.773 69.582 0.191 18901 9461 1 16 . 1 1 58 58 THR H H 58 7.939 7.939 7.525 0.414 18901 9462 1 16 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.419 -0.138 18901 9463 1 16 . 1 1 59 59 PRO C C 59 177.272 177.272 176.400 0.872 18901 9464 1 16 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.761 -0.685 18901 9465 1 16 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.144 0.634 18901 9466 1 16 . 1 1 60 60 ALA N N 60 122.319 122.319 124.847 -2.528 18901 9467 1 16 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.229 -0.010 18901 9468 1 16 . 1 1 60 60 ALA C C 60 178.277 178.277 177.021 1.256 18901 9469 1 16 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.751 0.749 18901 9470 1 16 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.614 1.845 18901 9471 1 16 . 1 1 60 60 ALA H H 60 8.156 8.156 8.356 -0.200 18901 9472 1 16 . 1 1 61 61 GLN N N 61 117.680 117.680 120.304 -2.624 18901 9473 1 16 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.296 -0.018 18901 9474 1 16 . 1 1 61 61 GLN C C 61 176.148 176.148 175.851 0.297 18901 9475 1 16 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.221 0.304 18901 9476 1 16 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.548 0.496 18901 9477 1 16 . 1 1 61 61 GLN H H 61 8.016 8.016 7.863 0.153 18901 9478 1 16 . 1 1 62 62 LEU N N 62 121.805 121.805 119.734 2.071 18901 9479 1 16 . 1 1 62 62 LEU HA H 62 4.129 4.129 3.755 0.374 18901 9480 1 16 . 1 1 62 62 LEU C C 62 176.202 176.202 175.493 0.709 18901 9481 1 16 . 1 1 62 62 LEU CA C 62 54.574 54.574 55.288 -0.714 18901 9482 1 16 . 1 1 62 62 LEU CB C 62 43.290 43.290 40.891 2.399 18901 9483 1 16 . 1 1 62 62 LEU H H 62 7.968 7.968 8.292 -0.324 18901 9484 1 16 . 1 1 63 63 ALA N N 63 124.947 124.947 121.051 3.896 18901 9485 1 16 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.179 0.317 18901 9486 1 16 . 1 1 63 63 ALA C C 63 176.252 176.252 175.810 0.442 18901 9487 1 16 . 1 1 63 63 ALA CA C 63 50.798 50.798 52.008 -1.210 18901 9488 1 16 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.007 0.639 18901 9489 1 16 . 1 1 63 63 ALA H H 63 8.434 8.434 7.270 1.164 18901 9490 1 16 . 1 1 64 64 PHE N N 64 117.099 117.099 121.193 -4.094 18901 9491 1 16 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.084 0.000 18901 9492 1 16 . 1 1 64 64 PHE C C 64 176.403 176.403 174.904 1.499 18901 9493 1 16 . 1 1 64 64 PHE CA C 64 57.733 57.733 54.735 2.998 18901 9494 1 16 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.282 0.528 18901 9495 1 16 . 1 1 64 64 PHE H H 64 8.446 8.446 8.095 0.351 18901 9496 1 16 . 1 1 65 65 MET N N 65 120.470 120.470 121.520 -1.050 18901 9497 1 16 . 1 1 65 65 MET HA H 65 4.902 4.902 4.658 0.244 18901 9498 1 16 . 1 1 65 65 MET CA C 65 53.984 53.984 55.562 -1.578 18901 9499 1 16 . 1 1 65 65 MET CB C 65 36.825 36.825 34.328 2.497 18901 9500 1 16 . 1 1 65 65 MET H H 65 9.050 9.050 8.796 0.254 18901 9501 1 16 . 1 1 66 66 ARG N N 66 120.685 120.685 130.026 -9.341 18901 9502 1 16 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.659 -0.516 18901 9503 1 16 . 1 1 66 66 ARG C C 66 176.916 176.916 176.344 0.572 18901 9504 1 16 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.089 1.873 18901 9505 1 16 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.269 2.803 18901 9506 1 16 . 1 1 66 66 ARG H H 66 7.540 7.540 8.857 -1.317 18901 9507 1 16 . 1 1 67 67 VAL N N 67 117.677 117.677 118.456 -0.779 18901 9508 1 16 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.956 0.758 18901 9509 1 16 . 1 1 67 67 VAL C C 67 175.777 175.777 175.976 -0.199 18901 9510 1 16 . 1 1 67 67 VAL CA C 67 60.919 60.919 64.397 -3.478 18901 9511 1 16 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.921 1.493 18901 9512 1 16 . 1 1 67 67 VAL H H 67 8.859 8.859 7.993 0.866 18901 9513 1 16 . 1 1 68 68 TYR N N 68 120.707 120.707 121.728 -1.021 18901 9514 1 16 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.878 -0.101 18901 9515 1 16 . 1 1 68 68 TYR C C 68 173.712 173.712 173.649 0.063 18901 9516 1 16 . 1 1 68 68 TYR CA C 68 58.305 58.305 57.227 1.078 18901 9517 1 16 . 1 1 68 68 TYR CB C 68 43.056 43.056 40.889 2.167 18901 9518 1 16 . 1 1 68 68 TYR H H 68 7.539 7.539 7.629 -0.090 18901 9519 1 16 . 1 1 69 69 CYS N N 69 127.927 127.927 128.402 -0.475 18901 9520 1 16 . 1 1 69 69 CYS HA H 69 5.069 5.069 5.404 -0.335 18901 9521 1 16 . 1 1 69 69 CYS C C 69 174.094 174.094 173.439 0.655 18901 9522 1 16 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.626 -1.436 18901 9523 1 16 . 1 1 69 69 CYS CB C 69 27.990 27.990 27.817 0.173 18901 9524 1 16 . 1 1 69 69 CYS H H 69 7.601 7.601 8.989 -1.388 18901 9525 1 16 . 1 1 70 70 GLY N N 70 114.822 114.822 113.655 1.167 18901 9526 1 16 . 1 1 70 70 GLY CA C 70 46.146 46.146 45.514 0.631 18901 9527 1 16 . 1 1 70 70 GLY H H 70 8.336 8.336 8.469 -0.133 18901 9528 1 16 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.698 -0.150 18901 9529 1 16 . 1 1 71 71 PRO CB C 71 32.664 32.664 31.970 0.694 18901 9530 1 16 . 1 1 72 72 SER N N 72 112.451 112.451 116.559 -4.108 18901 9531 1 16 . 1 1 72 72 SER HA H 72 4.850 4.850 4.563 0.287 18901 9532 1 16 . 1 1 72 72 SER CA C 72 56.874 56.874 57.410 -0.535 18901 9533 1 16 . 1 1 72 72 SER CB C 72 63.248 63.248 62.783 0.465 18901 9534 1 16 . 1 1 72 72 SER H H 72 7.327 7.327 7.917 -0.590 18901 9535 1 16 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.510 -0.317 18901 9536 1 16 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.495 1.060 18901 9537 1 16 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.245 -0.009 18901 9538 1 16 . 1 1 74 74 SER N N 74 111.450 111.450 116.182 -4.732 18901 9539 1 16 . 1 1 74 74 SER HA H 74 3.907 3.907 3.851 0.056 18901 9540 1 16 . 1 1 74 74 SER CA C 74 56.710 56.710 59.842 -3.132 18901 9541 1 16 . 1 1 74 74 SER CB C 74 64.647 64.647 61.971 2.676 18901 9542 1 16 . 1 1 74 74 SER H H 74 6.909 6.909 8.335 -1.426 18901 9543 1 16 . 1 1 75 75 CYS N N 75 124.103 124.103 124.042 0.061 18901 9544 1 16 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.496 -0.937 18901 9545 1 16 . 1 1 75 75 CYS C C 75 171.568 171.568 174.145 -2.577 18901 9546 1 16 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.326 3.874 18901 9547 1 16 . 1 1 75 75 CYS CB C 75 26.251 26.251 29.704 -3.454 18901 9548 1 16 . 1 1 75 75 CYS H H 75 6.017 6.017 8.645 -2.628 18901 9549 1 16 . 1 1 76 76 LEU N N 76 121.191 121.191 126.948 -5.757 18901 9550 1 16 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.499 0.324 18901 9551 1 16 . 1 1 76 76 LEU C C 76 176.786 176.786 176.338 0.448 18901 9552 1 16 . 1 1 76 76 LEU CA C 76 53.365 53.365 55.312 -1.947 18901 9553 1 16 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.651 1.575 18901 9554 1 16 . 1 1 76 76 LEU H H 76 8.015 8.015 8.606 -0.591 18901 9555 1 16 . 1 1 77 77 VAL N N 77 126.347 126.347 128.848 -2.501 18901 9556 1 16 . 1 1 77 77 VAL HA H 77 4.252 4.252 3.995 0.257 18901 9557 1 16 . 1 1 77 77 VAL C C 77 175.529 175.529 175.261 0.268 18901 9558 1 16 . 1 1 77 77 VAL CA C 77 61.651 61.651 63.302 -1.651 18901 9559 1 16 . 1 1 77 77 VAL CB C 77 32.676 32.676 32.017 0.659 18901 9560 1 16 . 1 1 77 77 VAL H H 77 9.084 9.084 8.896 0.188 18901 9561 1 16 . 1 1 78 78 GLN N N 78 124.566 124.566 128.057 -3.491 18901 9562 1 16 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.249 0.266 18901 9563 1 16 . 1 1 78 78 GLN C C 78 178.805 178.805 177.755 1.050 18901 9564 1 16 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.715 0.201 18901 9565 1 16 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.243 1.155 18901 9566 1 16 . 1 1 78 78 GLN H H 78 8.908 8.908 8.775 0.133 18901 9567 1 16 . 1 1 79 79 SER N N 79 116.974 116.974 119.602 -2.628 18901 9568 1 16 . 1 1 79 79 SER HA H 79 4.087 4.087 4.110 -0.023 18901 9569 1 16 . 1 1 79 79 SER C C 79 177.179 177.179 176.111 1.068 18901 9570 1 16 . 1 1 79 79 SER CA C 79 62.454 62.454 62.998 -0.544 18901 9571 1 16 . 1 1 79 79 SER CB C 79 62.787 62.787 62.868 -0.081 18901 9572 1 16 . 1 1 79 79 SER H H 79 8.458 8.458 8.626 -0.168 18901 9573 1 16 . 1 1 80 80 SER N N 80 114.734 114.734 117.915 -3.181 18901 9574 1 16 . 1 1 80 80 SER HA H 80 4.211 4.211 4.293 -0.082 18901 9575 1 16 . 1 1 80 80 SER C C 80 177.853 177.853 176.535 1.318 18901 9576 1 16 . 1 1 80 80 SER CA C 80 61.190 61.190 60.927 0.263 18901 9577 1 16 . 1 1 80 80 SER CB C 80 62.358 62.358 62.404 -0.046 18901 9578 1 16 . 1 1 80 80 SER H H 80 8.537 8.537 8.525 0.012 18901 9579 1 16 . 1 1 81 81 SER N N 81 117.137 117.137 117.438 -0.301 18901 9580 1 16 . 1 1 81 81 SER HA H 81 4.455 4.455 4.365 0.090 18901 9581 1 16 . 1 1 81 81 SER C C 81 175.702 175.702 177.014 -1.312 18901 9582 1 16 . 1 1 81 81 SER CA C 81 61.433 61.433 60.871 0.562 18901 9583 1 16 . 1 1 81 81 SER CB C 81 63.130 63.130 63.366 -0.236 18901 9584 1 16 . 1 1 81 81 SER H H 81 7.514 7.514 7.750 -0.236 18901 9585 1 16 . 1 1 82 82 LEU N N 82 117.548 117.548 122.757 -5.209 18901 9586 1 16 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.002 0.031 18901 9587 1 16 . 1 1 82 82 LEU C C 82 179.445 179.445 178.941 0.504 18901 9588 1 16 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.920 -1.218 18901 9589 1 16 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.839 -0.051 18901 9590 1 16 . 1 1 82 82 LEU H H 82 7.629 7.629 7.580 0.049 18901 9591 1 16 . 1 1 83 83 SER N N 83 113.258 113.258 113.771 -0.513 18901 9592 1 16 . 1 1 83 83 SER HA H 83 4.214 4.214 4.144 0.070 18901 9593 1 16 . 1 1 83 83 SER C C 83 175.256 175.256 175.147 0.109 18901 9594 1 16 . 1 1 83 83 SER CA C 83 61.192 61.192 61.407 -0.215 18901 9595 1 16 . 1 1 83 83 SER CB C 83 63.544 63.544 63.086 0.458 18901 9596 1 16 . 1 1 83 83 SER H H 83 7.805 7.805 8.827 -1.022 18901 9597 1 16 . 1 1 84 84 ASN N N 84 116.565 116.565 117.976 -1.411 18901 9598 1 16 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.708 0.214 18901 9599 1 16 . 1 1 84 84 ASN C C 84 175.063 175.063 174.313 0.750 18901 9600 1 16 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.429 -0.757 18901 9601 1 16 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.497 0.194 18901 9602 1 16 . 1 1 84 84 ASN H H 84 7.612 7.612 7.530 0.082 18901 9603 1 16 . 1 1 85 85 ALA N N 85 119.819 119.819 122.034 -2.215 18901 9604 1 16 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.443 -0.194 18901 9605 1 16 . 1 1 85 85 ALA C C 85 178.113 178.113 176.839 1.274 18901 9606 1 16 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.901 1.164 18901 9607 1 16 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.615 0.205 18901 9608 1 16 . 1 1 85 85 ALA H H 85 7.558 7.558 7.551 0.007 18901 9609 1 16 . 1 1 86 86 HIS N N 86 118.388 118.388 122.571 -4.183 18901 9610 1 16 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.740 -0.335 18901 9611 1 16 . 1 1 86 86 HIS C C 86 175.333 175.333 175.100 0.233 18901 9612 1 16 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.700 -0.081 18901 9613 1 16 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.413 -2.215 18901 9614 1 16 . 1 1 86 86 HIS H H 86 8.280 8.280 8.410 -0.130 18901 9615 1 16 . 1 1 87 87 ILE N N 87 126.618 126.618 127.444 -0.826 18901 9616 1 16 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.122 -0.067 18901 9617 1 16 . 1 1 87 87 ILE C C 87 174.718 174.718 175.997 -1.279 18901 9618 1 16 . 1 1 87 87 ILE CA C 87 59.427 59.427 60.192 -0.765 18901 9619 1 16 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.270 0.172 18901 9620 1 16 . 1 1 87 87 ILE H H 87 7.873 7.873 8.333 -0.460 18901 9621 1 16 . 1 1 88 88 ASP N N 88 124.684 124.684 127.509 -2.825 18901 9622 1 16 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.536 -0.024 18901 9623 1 16 . 1 1 88 88 ASP C C 88 176.506 176.506 175.045 1.461 18901 9624 1 16 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.479 -1.242 18901 9625 1 16 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.532 2.229 18901 9626 1 16 . 1 1 88 88 ASP H H 88 8.572 8.572 8.667 -0.095 18901 9627 1 16 . 1 1 89 89 TYR N N 89 122.959 122.959 126.710 -3.751 18901 9628 1 16 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.673 -0.294 18901 9629 1 16 . 1 1 89 89 TYR C C 89 176.631 176.631 175.367 1.264 18901 9630 1 16 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.464 1.165 18901 9631 1 16 . 1 1 89 89 TYR CB C 89 38.462 38.462 37.524 0.938 18901 9632 1 16 . 1 1 89 89 TYR H H 89 8.533 8.533 8.541 -0.008 18901 9633 1 16 . 1 1 90 90 THR N N 90 115.232 115.232 114.061 1.171 18901 9634 1 16 . 1 1 90 90 THR HA H 90 3.974 3.974 4.557 -0.583 18901 9635 1 16 . 1 1 90 90 THR C C 90 176.298 176.298 175.116 1.182 18901 9636 1 16 . 1 1 90 90 THR CA C 90 65.610 65.610 62.588 3.022 18901 9637 1 16 . 1 1 90 90 THR CB C 90 68.758 68.758 70.293 -1.535 18901 9638 1 16 . 1 1 90 90 THR H H 90 8.024 8.024 8.544 -0.520 18901 9639 1 16 . 1 1 91 91 THR N N 91 112.253 112.253 113.200 -0.947 18901 9640 1 16 . 1 1 91 91 THR HA H 91 4.290 4.290 4.484 -0.194 18901 9641 1 16 . 1 1 91 91 THR C C 91 174.644 174.644 174.073 0.571 18901 9642 1 16 . 1 1 91 91 THR CA C 91 61.288 61.288 62.778 -1.490 18901 9643 1 16 . 1 1 91 91 THR CB C 91 69.418 69.418 70.843 -1.425 18901 9644 1 16 . 1 1 91 91 THR H H 91 8.013 8.013 8.569 -0.556 18901 9645 1 16 . 1 1 92 92 LYS N N 92 121.833 121.833 121.391 0.442 18901 9646 1 16 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.682 -0.223 18901 9647 1 16 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.571 0.861 18901 9648 1 16 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.649 -6.226 18901 9649 1 16 . 1 1 92 92 LYS H H 92 7.883 7.883 7.918 -0.035 18901 9650 1 16 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.502 -0.291 18901 9651 1 16 . 1 1 93 93 PRO C C 93 176.775 176.775 175.446 1.329 18901 9652 1 16 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.700 0.685 18901 9653 1 16 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.002 1.212 18901 9654 1 16 . 1 1 94 94 ALA N N 94 122.487 122.487 126.071 -3.584 18901 9655 1 16 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.922 -0.057 18901 9656 1 16 . 1 1 94 94 ALA C C 94 175.790 175.790 175.786 0.004 18901 9657 1 16 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.455 0.556 18901 9658 1 16 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.623 0.216 18901 9659 1 16 . 1 1 94 94 ALA H H 94 8.072 8.072 7.726 0.346 18901 9660 1 16 . 1 1 95 95 ILE N N 95 120.526 120.526 122.223 -1.697 18901 9661 1 16 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.403 -0.112 18901 9662 1 16 . 1 1 95 95 ILE C C 95 175.063 175.063 175.918 -0.855 18901 9663 1 16 . 1 1 95 95 ILE CA C 95 60.430 60.430 62.130 -1.700 18901 9664 1 16 . 1 1 95 95 ILE CB C 95 40.656 40.656 38.929 1.727 18901 9665 1 16 . 1 1 95 95 ILE H H 95 8.099 8.099 8.468 -0.369 18901 9666 1 16 . 1 1 96 96 ILE N N 96 126.053 126.053 126.634 -0.581 18901 9667 1 16 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.422 0.532 18901 9668 1 16 . 1 1 96 96 ILE C C 96 175.609 175.609 174.992 0.617 18901 9669 1 16 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.980 0.310 18901 9670 1 16 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.075 2.824 18901 9671 1 16 . 1 1 96 96 ILE H H 96 9.393 9.393 7.939 1.454 18901 9672 1 16 . 1 1 97 97 PHE N N 97 120.455 120.455 126.362 -5.907 18901 9673 1 16 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.169 0.848 18901 9674 1 16 . 1 1 97 97 PHE C C 97 177.044 177.044 174.863 2.181 18901 9675 1 16 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.294 -0.525 18901 9676 1 16 . 1 1 97 97 PHE CB C 97 43.686 43.686 43.432 0.254 18901 9677 1 16 . 1 1 97 97 PHE H H 97 8.626 8.626 9.061 -0.435 18901 9678 1 16 . 1 1 98 98 ARG N N 98 117.253 117.253 120.616 -3.363 18901 9679 1 16 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.331 0.110 18901 9680 1 16 . 1 1 98 98 ARG C C 98 176.125 176.125 174.430 1.695 18901 9681 1 16 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.952 0.011 18901 9682 1 16 . 1 1 98 98 ARG CB C 98 35.621 35.621 34.477 1.144 18901 9683 1 16 . 1 1 98 98 ARG H H 98 9.041 9.041 8.744 0.297 18901 9684 1 16 . 1 1 99 99 ILE N N 99 120.894 120.894 122.306 -1.412 18901 9685 1 16 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.647 0.372 18901 9686 1 16 . 1 1 99 99 ILE C C 99 174.486 174.486 173.547 0.939 18901 9687 1 16 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.427 1.507 18901 9688 1 16 . 1 1 99 99 ILE CB C 99 41.415 41.415 41.840 -0.425 18901 9689 1 16 . 1 1 99 99 ILE H H 99 8.499 8.499 7.924 0.575 18901 9690 1 16 . 1 1 100 100 ALA N N 100 127.368 127.368 126.211 1.157 18901 9691 1 16 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.637 0.251 18901 9692 1 16 . 1 1 100 100 ALA C C 100 175.044 175.044 174.703 0.341 18901 9693 1 16 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.468 0.888 18901 9694 1 16 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.921 1.669 18901 9695 1 16 . 1 1 100 100 ALA H H 100 8.779 8.779 8.165 0.614 18901 9696 1 16 . 1 1 101 101 ALA N N 101 123.472 123.472 122.541 0.931 18901 9697 1 16 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.069 2.049 18901 9698 1 16 . 1 1 101 101 ALA C C 101 174.314 174.314 176.961 -2.647 18901 9699 1 16 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.083 -0.515 18901 9700 1 16 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.244 5.377 18901 9701 1 16 . 1 1 101 101 ALA H H 101 9.955 9.955 7.966 1.989 18901 9702 1 16 . 1 1 102 102 ARG N N 102 119.295 119.295 123.805 -4.510 18901 9703 1 16 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.236 0.355 18901 9704 1 16 . 1 1 102 102 ARG C C 102 176.649 176.649 174.837 1.812 18901 9705 1 16 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.652 -0.581 18901 9706 1 16 . 1 1 102 102 ARG CB C 102 33.170 33.170 30.051 3.119 18901 9707 1 16 . 1 1 102 102 ARG H H 102 8.474 8.474 8.301 0.173 18901 9708 1 16 . 1 1 103 103 ASN N N 103 124.198 124.198 123.031 1.167 18901 9709 1 16 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.317 0.137 18901 9710 1 16 . 1 1 103 103 ASN C C 103 176.327 176.327 175.880 0.447 18901 9711 1 16 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.051 0.253 18901 9712 1 16 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.372 -0.713 18901 9713 1 16 . 1 1 103 103 ASN H H 103 7.816 7.816 8.207 -0.391 18901 9714 1 16 . 1 1 104 104 GLU N N 104 115.270 115.270 119.455 -4.185 18901 9715 1 16 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.946 -0.093 18901 9716 1 16 . 1 1 104 104 GLU C C 104 177.716 177.716 178.332 -0.616 18901 9717 1 16 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.346 0.559 18901 9718 1 16 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.773 -0.610 18901 9719 1 16 . 1 1 104 104 GLU H H 104 9.416 9.416 8.537 0.879 18901 9720 1 16 . 1 1 105 105 LYS N N 105 116.576 116.576 117.352 -0.776 18901 9721 1 16 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.210 0.052 18901 9722 1 16 . 1 1 105 105 LYS C C 105 177.667 177.667 176.828 0.839 18901 9723 1 16 . 1 1 105 105 LYS CA C 105 57.055 57.055 57.193 -0.138 18901 9724 1 16 . 1 1 105 105 LYS CB C 105 33.051 33.051 33.398 -0.346 18901 9725 1 16 . 1 1 105 105 LYS H H 105 7.737 7.737 8.493 -0.756 18901 9726 1 16 . 1 1 106 106 GLY N N 106 104.067 104.067 105.004 -0.937 18901 9727 1 16 . 1 1 106 106 GLY C C 106 172.796 172.796 172.330 0.466 18901 9728 1 16 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.371 1.545 18901 9729 1 16 . 1 1 106 106 GLY H H 106 7.906 7.906 7.512 0.394 18901 9730 1 16 . 1 1 107 107 TYR N N 107 117.296 117.296 120.265 -2.969 18901 9731 1 16 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.446 0.303 18901 9732 1 16 . 1 1 107 107 TYR C C 107 178.772 178.772 176.128 2.644 18901 9733 1 16 . 1 1 107 107 TYR CA C 107 59.800 59.800 57.804 1.996 18901 9734 1 16 . 1 1 107 107 TYR CB C 107 40.566 40.566 37.261 3.305 18901 9735 1 16 . 1 1 107 107 TYR H H 107 8.378 8.378 8.232 0.146 18901 9736 1 16 . 1 1 108 108 GLY N N 108 107.379 107.379 111.958 -4.579 18901 9737 1 16 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.255 0.007 18901 9738 1 16 . 1 1 108 108 GLY H H 108 8.651 8.651 8.215 0.436 18901 9739 1 16 . 1 1 109 109 PRO CA C 109 61.945 61.945 61.552 0.393 18901 9740 1 16 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.525 0.346 18901 9741 1 16 . 1 1 110 110 ALA C C 110 179.404 179.404 176.172 3.232 18901 9742 1 16 . 1 1 110 110 ALA CA C 110 50.268 50.268 52.032 -1.764 18901 9743 1 16 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.592 -1.477 18901 9744 1 16 . 1 1 111 111 THR N N 111 118.432 118.432 120.468 -2.036 18901 9745 1 16 . 1 1 111 111 THR HA H 111 4.396 4.396 4.129 0.267 18901 9746 1 16 . 1 1 111 111 THR C C 111 173.449 173.449 174.201 -0.752 18901 9747 1 16 . 1 1 111 111 THR CA C 111 61.721 61.721 63.033 -1.312 18901 9748 1 16 . 1 1 111 111 THR CB C 111 69.967 69.967 68.951 1.016 18901 9749 1 16 . 1 1 111 111 THR H H 111 8.810 8.810 8.265 0.545 18901 9750 1 16 . 1 1 112 112 GLN N N 112 127.590 127.590 128.749 -1.159 18901 9751 1 16 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.673 0.664 18901 9752 1 16 . 1 1 112 112 GLN C C 112 175.442 175.442 174.651 0.791 18901 9753 1 16 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.683 -0.880 18901 9754 1 16 . 1 1 112 112 GLN CB C 112 31.753 31.753 28.991 2.762 18901 9755 1 16 . 1 1 112 112 GLN H H 112 8.698 8.698 8.723 -0.025 18901 9756 1 16 . 1 1 113 113 VAL N N 113 123.646 123.646 127.671 -4.025 18901 9757 1 16 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.456 0.118 18901 9758 1 16 . 1 1 113 113 VAL C C 113 173.891 173.891 174.547 -0.656 18901 9759 1 16 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.948 -0.664 18901 9760 1 16 . 1 1 113 113 VAL CB C 113 36.064 36.064 34.548 1.516 18901 9761 1 16 . 1 1 113 113 VAL H H 113 9.101 9.101 8.857 0.244 18901 9762 1 16 . 1 1 114 114 ARG N N 114 122.944 122.944 121.654 1.290 18901 9763 1 16 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.598 -0.665 18901 9764 1 16 . 1 1 114 114 ARG C C 114 175.683 175.683 175.279 0.404 18901 9765 1 16 . 1 1 114 114 ARG CA C 114 54.749 54.749 55.202 -0.453 18901 9766 1 16 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.072 -1.019 18901 9767 1 16 . 1 1 114 114 ARG H H 114 8.434 8.434 8.482 -0.049 18901 9768 1 16 . 1 1 115 115 TRP N N 115 126.067 126.067 124.230 1.837 18901 9769 1 16 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.983 0.274 18901 9770 1 16 . 1 1 115 115 TRP CA C 115 54.521 54.521 56.600 -2.079 18901 9771 1 16 . 1 1 115 115 TRP CB C 115 30.048 30.048 31.596 -1.548 18901 9772 1 16 . 1 1 115 115 TRP H H 115 9.944 9.944 9.091 0.853 18901 9773 1 16 . 1 1 116 116 LEU N N 116 130.031 130.031 125.675 4.356 18901 9774 1 16 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.400 -0.137 18901 9775 1 16 . 1 1 116 116 LEU CA C 116 55.697 55.697 53.669 2.028 18901 9776 1 16 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.184 -0.457 18901 9777 1 16 . 1 1 116 116 LEU H H 116 8.722 8.722 8.397 0.325 18901 9778 1 16 . 1 1 117 117 GLN N N 117 124.737 124.737 116.339 8.398 18901 9779 1 16 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.758 0.290 18901 9780 1 16 . 1 1 117 117 GLN CA C 117 57.436 57.436 57.196 0.240 18901 9781 1 16 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.611 4.057 18901 9782 1 16 . 1 1 117 117 GLN H H 117 7.453 7.453 8.673 -1.220 18901 9783 1 16 . 1 1 118 118 GLU N N 118 118.531 118.531 117.842 0.689 18901 9784 1 16 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.129 -0.734 18901 9785 1 16 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.643 -1.961 18901 9786 1 16 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.810 -0.438 18901 9787 1 16 . 1 1 118 118 GLU H H 118 7.891 7.891 8.192 -0.301 18901 9788 1 16 . 1 1 119 119 THR N N 119 121.831 121.831 114.629 7.202 18901 9789 1 16 . 1 1 119 119 THR HA H 119 4.267 4.267 4.499 -0.232 18901 9790 1 16 . 1 1 119 119 THR CA C 119 55.604 55.604 61.946 -6.342 18901 9791 1 16 . 1 1 119 119 THR CB C 119 69.285 69.285 68.307 0.978 18901 9792 1 16 . 1 1 119 119 THR H H 119 7.892 7.892 7.718 0.174 18901 9793 1 17 . 1 1 6 6 PHE N N 6 117.872 117.872 123.992 -6.120 18901 9794 1 17 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.808 -0.018 18901 9795 1 17 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.072 2.954 18901 9796 1 17 . 1 1 6 6 PHE CB C 6 38.260 38.260 40.045 -1.785 18901 9797 1 17 . 1 1 6 6 PHE H H 6 7.818 7.818 7.981 -0.163 18901 9798 1 17 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.929 -58.743 18901 9799 1 17 . 1 1 8 8 GLY N N 8 101.657 101.657 110.650 -8.993 18901 9800 1 17 . 1 1 8 8 GLY CA C 8 44.176 44.176 45.806 -1.630 18901 9801 1 17 . 1 1 8 8 GLY H H 8 7.927 7.927 7.824 0.103 18901 9802 1 17 . 1 1 9 9 ALA N N 9 120.767 120.767 124.831 -4.064 18901 9803 1 17 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.536 0.329 18901 9804 1 17 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.115 0.083 18901 9805 1 17 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.916 -1.979 18901 9806 1 17 . 1 1 9 9 ALA H H 9 8.235 8.235 7.890 0.345 18901 9807 1 17 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.633 -0.276 18901 9808 1 17 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.731 0.581 18901 9809 1 17 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.397 0.414 18901 9810 1 17 . 1 1 11 11 CYS N N 11 114.905 114.905 117.424 -2.519 18901 9811 1 17 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.640 0.298 18901 9812 1 17 . 1 1 11 11 CYS C C 11 172.706 172.706 175.159 -2.453 18901 9813 1 17 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.508 -0.670 18901 9814 1 17 . 1 1 11 11 CYS CB C 11 32.139 32.139 30.887 1.252 18901 9815 1 17 . 1 1 11 11 CYS H H 11 8.084 8.084 8.449 -0.365 18901 9816 1 17 . 1 1 12 12 ALA N N 12 120.844 120.844 122.450 -1.606 18901 9817 1 17 . 1 1 12 12 ALA HA H 12 3.927 3.927 3.996 -0.069 18901 9818 1 17 . 1 1 12 12 ALA C C 12 176.005 176.005 176.612 -0.607 18901 9819 1 17 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.683 -0.919 18901 9820 1 17 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.792 -0.196 18901 9821 1 17 . 1 1 12 12 ALA H H 12 8.535 8.535 8.614 -0.079 18901 9822 1 17 . 1 1 13 13 ILE N N 13 116.800 116.800 118.272 -1.472 18901 9823 1 17 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.301 0.152 18901 9824 1 17 . 1 1 13 13 ILE C C 13 177.506 177.506 176.803 0.703 18901 9825 1 17 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.356 -0.021 18901 9826 1 17 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.458 -0.590 18901 9827 1 17 . 1 1 13 13 ILE H H 13 7.802 7.802 7.770 0.032 18901 9828 1 17 . 1 1 14 14 LYS N N 14 129.030 129.030 127.845 1.185 18901 9829 1 17 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.739 -0.142 18901 9830 1 17 . 1 1 14 14 LYS C C 14 175.508 175.508 174.548 0.960 18901 9831 1 17 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.087 0.465 18901 9832 1 17 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.723 -0.435 18901 9833 1 17 . 1 1 14 14 LYS H H 14 9.249 9.249 8.264 0.985 18901 9834 1 17 . 1 1 15 15 ILE N N 15 121.333 121.333 119.182 2.151 18901 9835 1 17 . 1 1 15 15 ILE HA H 15 4.584 4.584 5.008 -0.424 18901 9836 1 17 . 1 1 15 15 ILE C C 15 175.983 175.983 175.760 0.223 18901 9837 1 17 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.992 0.816 18901 9838 1 17 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.860 -0.240 18901 9839 1 17 . 1 1 15 15 ILE H H 15 8.231 8.231 8.214 0.017 18901 9840 1 17 . 1 1 16 16 SER N N 16 120.251 120.251 118.340 1.911 18901 9841 1 17 . 1 1 16 16 SER HA H 16 4.933 4.933 4.859 0.074 18901 9842 1 17 . 1 1 16 16 SER C C 16 173.725 173.725 174.826 -1.101 18901 9843 1 17 . 1 1 16 16 SER CA C 16 56.656 56.656 57.665 -1.009 18901 9844 1 17 . 1 1 16 16 SER CB C 16 65.750 65.750 65.240 0.510 18901 9845 1 17 . 1 1 16 16 SER H H 16 8.694 8.694 8.588 0.106 18901 9846 1 17 . 1 1 17 17 LYS N N 17 124.155 124.155 120.186 3.969 18901 9847 1 17 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.256 0.404 18901 9848 1 17 . 1 1 17 17 LYS C C 17 175.815 175.815 174.594 1.221 18901 9849 1 17 . 1 1 17 17 LYS CA C 17 57.275 57.275 57.667 -0.392 18901 9850 1 17 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.232 1.334 18901 9851 1 17 . 1 1 17 17 LYS H H 17 8.985 8.985 8.380 0.605 18901 9852 1 17 . 1 1 18 18 SER N N 18 121.663 121.663 112.778 8.885 18901 9853 1 17 . 1 1 18 18 SER HA H 18 5.076 5.076 4.805 0.271 18901 9854 1 17 . 1 1 18 18 SER CA C 18 56.676 56.676 55.537 1.139 18901 9855 1 17 . 1 1 18 18 SER CB C 18 64.993 64.993 64.594 0.398 18901 9856 1 17 . 1 1 18 18 SER H H 18 8.555 8.555 8.189 0.366 18901 9857 1 17 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.562 -0.228 18901 9858 1 17 . 1 1 19 19 PRO C C 19 177.406 177.406 176.670 0.736 18901 9859 1 17 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.758 0.731 18901 9860 1 17 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.405 -0.340 18901 9861 1 17 . 1 1 20 20 ASP N N 20 110.573 110.573 117.252 -6.679 18901 9862 1 17 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.680 -0.001 18901 9863 1 17 . 1 1 20 20 ASP C C 20 176.667 176.667 175.811 0.856 18901 9864 1 17 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.488 0.070 18901 9865 1 17 . 1 1 20 20 ASP CB C 20 41.423 41.423 42.851 -1.428 18901 9866 1 17 . 1 1 20 20 ASP H H 20 8.019 8.019 8.117 -0.098 18901 9867 1 17 . 1 1 21 21 GLY N N 21 107.592 107.592 106.481 1.111 18901 9868 1 17 . 1 1 21 21 GLY C C 21 172.365 172.365 171.907 0.458 18901 9869 1 17 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.466 0.264 18901 9870 1 17 . 1 1 21 21 GLY H H 21 7.623 7.623 7.319 0.304 18901 9871 1 17 . 1 1 22 22 ALA N N 22 123.764 123.764 123.478 0.286 18901 9872 1 17 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.783 0.004 18901 9873 1 17 . 1 1 22 22 ALA C C 22 175.801 175.801 175.956 -0.155 18901 9874 1 17 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.569 0.210 18901 9875 1 17 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.080 0.054 18901 9876 1 17 . 1 1 22 22 ALA H H 22 8.704 8.704 7.726 0.978 18901 9877 1 17 . 1 1 23 23 HIS N N 23 120.666 120.666 124.615 -3.949 18901 9878 1 17 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.376 0.605 18901 9879 1 17 . 1 1 23 23 HIS C C 23 174.199 174.199 174.414 -0.215 18901 9880 1 17 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.502 -2.235 18901 9881 1 17 . 1 1 23 23 HIS CB C 23 29.989 29.989 28.958 1.031 18901 9882 1 17 . 1 1 23 23 HIS H H 23 9.088 9.088 8.115 0.973 18901 9883 1 17 . 1 1 24 24 LEU N N 24 127.467 127.467 124.515 2.952 18901 9884 1 17 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.651 0.529 18901 9885 1 17 . 1 1 24 24 LEU C C 24 176.430 176.430 176.924 -0.494 18901 9886 1 17 . 1 1 24 24 LEU CA C 24 55.528 55.528 54.571 0.957 18901 9887 1 17 . 1 1 24 24 LEU CB C 24 44.957 44.957 43.002 1.955 18901 9888 1 17 . 1 1 24 24 LEU H H 24 8.702 8.702 7.680 1.022 18901 9889 1 17 . 1 1 25 25 THR N N 25 111.459 111.459 109.718 1.741 18901 9890 1 17 . 1 1 25 25 THR HA H 25 4.186 4.186 4.224 -0.038 18901 9891 1 17 . 1 1 25 25 THR C C 25 172.720 172.720 172.855 -0.135 18901 9892 1 17 . 1 1 25 25 THR CA C 25 60.798 60.798 61.884 -1.086 18901 9893 1 17 . 1 1 25 25 THR CB C 25 72.021 72.021 71.444 0.577 18901 9894 1 17 . 1 1 25 25 THR H H 25 8.643 8.643 8.211 0.432 18901 9895 1 17 . 1 1 26 26 TRP N N 26 117.073 117.073 119.279 -2.206 18901 9896 1 17 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.131 -0.098 18901 9897 1 17 . 1 1 26 26 TRP C C 26 173.425 173.425 173.479 -0.054 18901 9898 1 17 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.923 -0.236 18901 9899 1 17 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.188 -1.031 18901 9900 1 17 . 1 1 26 26 TRP H H 26 7.301 7.301 8.030 -0.729 18901 9901 1 17 . 1 1 27 27 GLU N N 27 115.563 115.563 119.723 -4.160 18901 9902 1 17 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.958 -0.136 18901 9903 1 17 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.107 -0.218 18901 9904 1 17 . 1 1 27 27 GLU CB C 27 30.830 30.830 33.166 -2.336 18901 9905 1 17 . 1 1 27 27 GLU H H 27 8.753 8.753 8.840 -0.087 18901 9906 1 17 . 1 1 28 28 PRO HA H 28 4.339 4.339 5.053 -0.714 18901 9907 1 17 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.631 3.916 18901 9908 1 17 . 1 1 28 28 PRO CB C 28 32.141 32.141 30.947 1.194 18901 9909 1 17 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.474 -0.189 18901 9910 1 17 . 1 1 29 29 PRO CA C 29 61.980 61.980 62.780 -0.800 18901 9911 1 17 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.155 0.729 18901 9912 1 17 . 1 1 30 30 SER N N 30 110.838 110.838 116.791 -5.953 18901 9913 1 17 . 1 1 30 30 SER HA H 30 3.910 3.910 4.584 -0.674 18901 9914 1 17 . 1 1 30 30 SER CA C 30 56.967 56.967 58.456 -1.489 18901 9915 1 17 . 1 1 30 30 SER CB C 30 64.771 64.771 63.125 1.646 18901 9916 1 17 . 1 1 30 30 SER H H 30 8.317 8.317 8.554 -0.237 18901 9917 1 17 . 1 1 31 31 VAL N N 31 114.209 114.209 122.808 -8.599 18901 9918 1 17 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.222 -0.014 18901 9919 1 17 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.802 -2.022 18901 9920 1 17 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.660 1.111 18901 9921 1 17 . 1 1 31 31 VAL H H 31 8.320 8.320 8.179 0.141 18901 9922 1 17 . 1 1 32 32 THR N N 32 119.600 119.600 110.830 8.770 18901 9923 1 17 . 1 1 32 32 THR HA H 32 4.179 4.179 4.525 -0.346 18901 9924 1 17 . 1 1 32 32 THR CA C 32 60.465 60.465 60.854 -0.389 18901 9925 1 17 . 1 1 32 32 THR CB C 32 63.211 63.211 71.704 -8.493 18901 9926 1 17 . 1 1 32 32 THR H H 32 7.828 7.828 7.562 0.266 18901 9927 1 17 . 1 1 33 33 SER N N 33 115.967 115.967 117.051 -1.084 18901 9928 1 17 . 1 1 33 33 SER HA H 33 4.179 4.179 4.221 -0.042 18901 9929 1 17 . 1 1 33 33 SER C C 33 174.332 174.332 175.319 -0.987 18901 9930 1 17 . 1 1 33 33 SER CA C 33 60.428 60.428 59.877 0.552 18901 9931 1 17 . 1 1 33 33 SER CB C 33 62.209 62.209 63.084 -0.875 18901 9932 1 17 . 1 1 33 33 SER H H 33 8.292 8.292 8.513 -0.221 18901 9933 1 17 . 1 1 34 34 GLY N N 34 106.879 106.879 109.944 -3.065 18901 9934 1 17 . 1 1 34 34 GLY C C 34 173.709 173.709 174.108 -0.399 18901 9935 1 17 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.564 -0.193 18901 9936 1 17 . 1 1 34 34 GLY H H 34 7.848 7.848 8.179 -0.331 18901 9937 1 17 . 1 1 35 35 LYS N N 35 122.205 122.205 126.066 -3.861 18901 9938 1 17 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.365 -0.055 18901 9939 1 17 . 1 1 35 35 LYS C C 35 176.262 176.262 175.246 1.016 18901 9940 1 17 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.564 0.107 18901 9941 1 17 . 1 1 35 35 LYS CB C 35 34.247 34.247 31.724 2.523 18901 9942 1 17 . 1 1 35 35 LYS H H 35 8.628 8.628 8.403 0.225 18901 9943 1 17 . 1 1 36 36 ILE N N 36 120.178 120.178 121.464 -1.286 18901 9944 1 17 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.035 0.086 18901 9945 1 17 . 1 1 36 36 ILE C C 36 177.751 177.751 177.152 0.599 18901 9946 1 17 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.417 -3.496 18901 9947 1 17 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.796 -3.484 18901 9948 1 17 . 1 1 36 36 ILE H H 36 8.344 8.344 7.926 0.418 18901 9949 1 17 . 1 1 37 37 ILE N N 37 122.285 122.285 120.310 1.975 18901 9950 1 17 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.556 -0.339 18901 9951 1 17 . 1 1 37 37 ILE C C 37 176.085 176.085 175.896 0.189 18901 9952 1 17 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.411 -0.469 18901 9953 1 17 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.341 -0.542 18901 9954 1 17 . 1 1 37 37 ILE H H 37 8.460 8.460 9.084 -0.624 18901 9955 1 17 . 1 1 38 38 GLU N N 38 116.489 116.489 118.776 -2.287 18901 9956 1 17 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.681 -0.512 18901 9957 1 17 . 1 1 38 38 GLU C C 38 171.864 171.864 174.202 -2.338 18901 9958 1 17 . 1 1 38 38 GLU CA C 38 55.976 55.976 56.014 -0.038 18901 9959 1 17 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.910 1.570 18901 9960 1 17 . 1 1 38 38 GLU H H 38 7.143 7.143 7.744 -0.601 18901 9961 1 17 . 1 1 39 39 TYR N N 39 118.418 118.418 117.027 1.391 18901 9962 1 17 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.277 0.418 18901 9963 1 17 . 1 1 39 39 TYR C C 39 176.190 176.190 174.416 1.774 18901 9964 1 17 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.737 -0.826 18901 9965 1 17 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.449 0.287 18901 9966 1 17 . 1 1 39 39 TYR H H 39 8.860 8.860 8.568 0.292 18901 9967 1 17 . 1 1 40 40 SER N N 40 111.613 111.613 113.172 -1.559 18901 9968 1 17 . 1 1 40 40 SER HA H 40 5.497 5.497 3.716 1.781 18901 9969 1 17 . 1 1 40 40 SER C C 40 172.888 172.888 171.941 0.947 18901 9970 1 17 . 1 1 40 40 SER CA C 40 58.729 58.729 56.491 2.238 18901 9971 1 17 . 1 1 40 40 SER CB C 40 69.596 69.596 65.179 4.417 18901 9972 1 17 . 1 1 40 40 SER H H 40 8.705 8.705 8.277 0.428 18901 9973 1 17 . 1 1 41 41 VAL N N 41 119.202 119.202 120.362 -1.160 18901 9974 1 17 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.350 0.486 18901 9975 1 17 . 1 1 41 41 VAL C C 41 175.106 175.106 173.906 1.200 18901 9976 1 17 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.018 -0.352 18901 9977 1 17 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.609 0.082 18901 9978 1 17 . 1 1 41 41 VAL H H 41 8.428 8.428 8.047 0.381 18901 9979 1 17 . 1 1 42 42 TYR N N 42 124.792 124.792 124.545 0.247 18901 9980 1 17 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.736 0.760 18901 9981 1 17 . 1 1 42 42 TYR C C 42 174.659 174.659 173.883 0.776 18901 9982 1 17 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.651 0.109 18901 9983 1 17 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.068 3.328 18901 9984 1 17 . 1 1 42 42 TYR H H 42 9.773 9.773 8.740 1.033 18901 9985 1 17 . 1 1 43 43 LEU N N 43 123.210 123.210 126.717 -3.507 18901 9986 1 17 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.777 0.476 18901 9987 1 17 . 1 1 43 43 LEU C C 43 176.296 176.296 175.637 0.659 18901 9988 1 17 . 1 1 43 43 LEU CA C 43 53.346 53.346 54.072 -0.726 18901 9989 1 17 . 1 1 43 43 LEU CB C 43 48.549 48.549 44.036 4.513 18901 9990 1 17 . 1 1 43 43 LEU H H 43 9.368 9.368 8.930 0.438 18901 9991 1 17 . 1 1 44 44 ALA N N 44 127.556 127.556 128.870 -1.314 18901 9992 1 17 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.764 -0.440 18901 9993 1 17 . 1 1 44 44 ALA C C 44 178.318 178.318 176.853 1.465 18901 9994 1 17 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.202 -0.458 18901 9995 1 17 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.674 -1.024 18901 9996 1 17 . 1 1 44 44 ALA H H 44 8.366 8.366 7.861 0.505 18901 9997 1 17 . 1 1 45 45 ILE N N 45 119.672 119.672 117.005 2.667 18901 9998 1 17 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.864 -0.121 18901 9999 1 17 . 1 1 45 45 ILE C C 45 175.937 175.937 175.423 0.514 18901 10000 1 17 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.318 1.802 18901 10001 1 17 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.223 0.566 18901 10002 1 17 . 1 1 45 45 ILE H H 45 8.599 8.599 8.465 0.134 18901 10003 1 17 . 1 1 46 46 GLN N N 46 120.248 120.248 120.991 -0.743 18901 10004 1 17 . 1 1 46 46 GLN HA H 46 4.407 4.407 3.554 0.853 18901 10005 1 17 . 1 1 46 46 GLN C C 46 176.355 176.355 175.148 1.207 18901 10006 1 17 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.250 -1.436 18901 10007 1 17 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.227 2.613 18901 10008 1 17 . 1 1 46 46 GLN H H 46 8.207 8.207 8.149 0.058 18901 10009 1 17 . 1 1 47 47 SER N N 47 117.541 117.541 116.502 1.039 18901 10010 1 17 . 1 1 47 47 SER HA H 47 4.445 4.445 4.405 0.040 18901 10011 1 17 . 1 1 47 47 SER C C 47 175.100 175.100 174.616 0.484 18901 10012 1 17 . 1 1 47 47 SER CA C 47 57.957 57.957 58.009 -0.052 18901 10013 1 17 . 1 1 47 47 SER CB C 47 64.188 64.188 64.227 -0.039 18901 10014 1 17 . 1 1 47 47 SER H H 47 8.316 8.316 8.260 0.056 18901 10015 1 17 . 1 1 48 48 SER N N 48 116.421 116.421 118.113 -1.692 18901 10016 1 17 . 1 1 48 48 SER HA H 48 4.446 4.446 4.073 0.373 18901 10017 1 17 . 1 1 48 48 SER CA C 48 58.395 58.395 59.561 -1.166 18901 10018 1 17 . 1 1 48 48 SER CB C 48 63.932 63.932 62.355 1.577 18901 10019 1 17 . 1 1 48 48 SER H H 48 8.096 8.096 8.240 -0.144 18901 10020 1 17 . 1 1 49 49 GLN N N 49 120.755 120.755 121.037 -0.282 18901 10021 1 17 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.418 -0.107 18901 10022 1 17 . 1 1 49 49 GLN C C 49 176.420 176.420 173.387 3.033 18901 10023 1 17 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.831 0.011 18901 10024 1 17 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.948 -1.197 18901 10025 1 17 . 1 1 49 49 GLN H H 49 8.308 8.308 8.152 0.156 18901 10026 1 17 . 1 1 50 50 ALA N N 50 124.199 124.199 126.566 -2.367 18901 10027 1 17 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.505 -0.193 18901 10028 1 17 . 1 1 50 50 ALA C C 50 178.375 178.375 175.856 2.519 18901 10029 1 17 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.311 0.309 18901 10030 1 17 . 1 1 50 50 ALA CB C 50 19.453 19.453 20.808 -1.355 18901 10031 1 17 . 1 1 50 50 ALA H H 50 8.219 8.219 8.422 -0.203 18901 10032 1 17 . 1 1 51 51 SER N N 51 113.652 113.652 117.586 -3.934 18901 10033 1 17 . 1 1 51 51 SER HA H 51 4.307 4.307 4.489 -0.182 18901 10034 1 17 . 1 1 51 51 SER C C 51 175.739 175.739 173.112 2.627 18901 10035 1 17 . 1 1 51 51 SER CA C 51 52.695 52.695 58.682 -5.987 18901 10036 1 17 . 1 1 51 51 SER CB C 51 62.104 62.104 63.825 -1.722 18901 10037 1 17 . 1 1 51 51 SER H H 51 8.148 8.148 8.745 -0.597 18901 10038 1 17 . 1 1 52 52 GLY N N 52 109.442 109.442 109.193 0.249 18901 10039 1 17 . 1 1 52 52 GLY C C 52 174.511 174.511 173.830 0.681 18901 10040 1 17 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.262 0.136 18901 10041 1 17 . 1 1 52 52 GLY H H 52 8.267 8.267 7.819 0.448 18901 10042 1 17 . 1 1 53 53 GLU N N 53 120.137 120.137 124.572 -4.435 18901 10043 1 17 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.494 0.059 18901 10044 1 17 . 1 1 53 53 GLU CA C 53 54.055 54.055 55.496 -1.441 18901 10045 1 17 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.770 0.074 18901 10046 1 17 . 1 1 53 53 GLU H H 53 7.951 7.951 8.575 -0.624 18901 10047 1 17 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.419 -0.054 18901 10048 1 17 . 1 1 54 54 PRO C C 54 177.830 177.830 176.629 1.201 18901 10049 1 17 . 1 1 54 54 PRO CA C 54 63.710 63.710 63.130 0.580 18901 10050 1 17 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.482 0.230 18901 10051 1 17 . 1 1 55 55 LYS N N 55 119.406 119.406 116.812 2.594 18901 10052 1 17 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.003 0.262 18901 10053 1 17 . 1 1 55 55 LYS C C 55 177.347 177.347 175.305 2.042 18901 10054 1 17 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.830 -0.133 18901 10055 1 17 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.445 1.801 18901 10056 1 17 . 1 1 55 55 LYS H H 55 8.315 8.315 8.649 -0.334 18901 10057 1 17 . 1 1 56 56 SER N N 56 114.624 114.624 111.492 3.132 18901 10058 1 17 . 1 1 56 56 SER HA H 56 4.564 4.564 4.215 0.349 18901 10059 1 17 . 1 1 56 56 SER C C 56 175.285 175.285 174.453 0.832 18901 10060 1 17 . 1 1 56 56 SER CA C 56 60.090 60.090 59.607 0.483 18901 10061 1 17 . 1 1 56 56 SER CB C 56 63.305 63.305 62.396 0.909 18901 10062 1 17 . 1 1 56 56 SER H H 56 8.090 8.090 8.460 -0.370 18901 10063 1 17 . 1 1 57 57 SER N N 57 116.016 116.016 117.007 -0.991 18901 10064 1 17 . 1 1 57 57 SER HA H 57 4.455 4.455 4.529 -0.074 18901 10065 1 17 . 1 1 57 57 SER C C 57 174.988 174.988 174.590 0.398 18901 10066 1 17 . 1 1 57 57 SER CA C 57 58.332 58.332 59.151 -0.819 18901 10067 1 17 . 1 1 57 57 SER CB C 57 63.876 63.876 64.257 -0.381 18901 10068 1 17 . 1 1 57 57 SER H H 57 8.224 8.224 8.474 -0.250 18901 10069 1 17 . 1 1 58 58 THR N N 58 116.090 116.090 116.163 -0.073 18901 10070 1 17 . 1 1 58 58 THR HA H 58 4.602 4.602 4.705 -0.103 18901 10071 1 17 . 1 1 58 58 THR CA C 58 59.935 59.935 60.079 -0.144 18901 10072 1 17 . 1 1 58 58 THR CB C 58 69.773 69.773 70.246 -0.473 18901 10073 1 17 . 1 1 58 58 THR H H 58 7.939 7.939 7.675 0.264 18901 10074 1 17 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.597 -0.316 18901 10075 1 17 . 1 1 59 59 PRO C C 59 177.272 177.272 175.475 1.797 18901 10076 1 17 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.837 -0.761 18901 10077 1 17 . 1 1 59 59 PRO CB C 59 32.778 32.778 30.655 2.123 18901 10078 1 17 . 1 1 60 60 ALA N N 60 122.319 122.319 126.874 -4.555 18901 10079 1 17 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.515 -0.296 18901 10080 1 17 . 1 1 60 60 ALA C C 60 178.277 178.277 176.829 1.448 18901 10081 1 17 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.216 0.284 18901 10082 1 17 . 1 1 60 60 ALA CB C 60 19.459 19.459 20.102 -0.643 18901 10083 1 17 . 1 1 60 60 ALA H H 60 8.156 8.156 7.989 0.167 18901 10084 1 17 . 1 1 61 61 GLN N N 61 117.680 117.680 120.574 -2.894 18901 10085 1 17 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.247 0.031 18901 10086 1 17 . 1 1 61 61 GLN C C 61 176.148 176.148 175.539 0.609 18901 10087 1 17 . 1 1 61 61 GLN CA C 61 55.525 55.525 54.813 0.712 18901 10088 1 17 . 1 1 61 61 GLN CB C 61 30.044 30.044 26.680 3.364 18901 10089 1 17 . 1 1 61 61 GLN H H 61 8.016 8.016 8.419 -0.403 18901 10090 1 17 . 1 1 62 62 LEU N N 62 121.805 121.805 119.545 2.260 18901 10091 1 17 . 1 1 62 62 LEU HA H 62 4.129 4.129 3.872 0.257 18901 10092 1 17 . 1 1 62 62 LEU C C 62 176.202 176.202 175.912 0.290 18901 10093 1 17 . 1 1 62 62 LEU CA C 62 54.574 54.574 55.959 -1.385 18901 10094 1 17 . 1 1 62 62 LEU CB C 62 43.290 43.290 41.247 2.043 18901 10095 1 17 . 1 1 62 62 LEU H H 62 7.968 7.968 8.090 -0.122 18901 10096 1 17 . 1 1 63 63 ALA N N 63 124.947 124.947 119.553 5.394 18901 10097 1 17 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.330 0.166 18901 10098 1 17 . 1 1 63 63 ALA C C 63 176.252 176.252 174.517 1.735 18901 10099 1 17 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.523 -0.725 18901 10100 1 17 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.874 -0.228 18901 10101 1 17 . 1 1 63 63 ALA H H 63 8.434 8.434 7.402 1.032 18901 10102 1 17 . 1 1 64 64 PHE N N 64 117.099 117.099 119.472 -2.373 18901 10103 1 17 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.739 0.345 18901 10104 1 17 . 1 1 64 64 PHE C C 64 176.403 176.403 175.776 0.627 18901 10105 1 17 . 1 1 64 64 PHE CA C 64 57.733 57.733 57.561 0.172 18901 10106 1 17 . 1 1 64 64 PHE CB C 64 42.810 42.810 40.821 1.989 18901 10107 1 17 . 1 1 64 64 PHE H H 64 8.446 8.446 8.098 0.348 18901 10108 1 17 . 1 1 65 65 MET N N 65 120.470 120.470 118.910 1.560 18901 10109 1 17 . 1 1 65 65 MET HA H 65 4.902 4.902 4.670 0.232 18901 10110 1 17 . 1 1 65 65 MET CA C 65 53.984 53.984 55.148 -1.164 18901 10111 1 17 . 1 1 65 65 MET CB C 65 36.825 36.825 34.625 2.200 18901 10112 1 17 . 1 1 65 65 MET H H 65 9.050 9.050 8.909 0.141 18901 10113 1 17 . 1 1 66 66 ARG N N 66 120.685 120.685 120.556 0.129 18901 10114 1 17 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.453 -0.310 18901 10115 1 17 . 1 1 66 66 ARG C C 66 176.916 176.916 175.705 1.211 18901 10116 1 17 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.793 1.169 18901 10117 1 17 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.820 2.252 18901 10118 1 17 . 1 1 66 66 ARG H H 66 7.540 7.540 8.647 -1.107 18901 10119 1 17 . 1 1 67 67 VAL N N 67 117.677 117.677 113.758 3.919 18901 10120 1 17 . 1 1 67 67 VAL HA H 67 4.714 4.714 4.064 0.650 18901 10121 1 17 . 1 1 67 67 VAL C C 67 175.777 175.777 176.251 -0.474 18901 10122 1 17 . 1 1 67 67 VAL CA C 67 60.919 60.919 62.938 -2.019 18901 10123 1 17 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.553 1.861 18901 10124 1 17 . 1 1 67 67 VAL H H 67 8.859 8.859 8.094 0.765 18901 10125 1 17 . 1 1 68 68 TYR N N 68 120.707 120.707 123.052 -2.345 18901 10126 1 17 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.271 0.506 18901 10127 1 17 . 1 1 68 68 TYR C C 68 173.712 173.712 175.158 -1.446 18901 10128 1 17 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.852 -1.547 18901 10129 1 17 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.575 4.481 18901 10130 1 17 . 1 1 68 68 TYR H H 68 7.539 7.539 7.670 -0.131 18901 10131 1 17 . 1 1 69 69 CYS N N 69 127.927 127.927 126.746 1.181 18901 10132 1 17 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.316 0.753 18901 10133 1 17 . 1 1 69 69 CYS C C 69 174.094 174.094 173.373 0.721 18901 10134 1 17 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.507 -0.317 18901 10135 1 17 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.961 -0.971 18901 10136 1 17 . 1 1 69 69 CYS H H 69 7.601 7.601 8.360 -0.759 18901 10137 1 17 . 1 1 70 70 GLY N N 70 114.822 114.822 113.104 1.718 18901 10138 1 17 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.140 2.006 18901 10139 1 17 . 1 1 70 70 GLY H H 70 8.336 8.336 7.327 1.009 18901 10140 1 17 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.485 0.063 18901 10141 1 17 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.273 0.391 18901 10142 1 17 . 1 1 72 72 SER N N 72 112.451 112.451 113.400 -0.949 18901 10143 1 17 . 1 1 72 72 SER HA H 72 4.850 4.850 4.212 0.638 18901 10144 1 17 . 1 1 72 72 SER CA C 72 56.874 56.874 58.133 -1.259 18901 10145 1 17 . 1 1 72 72 SER CB C 72 63.248 63.248 62.908 0.340 18901 10146 1 17 . 1 1 72 72 SER H H 72 7.327 7.327 8.126 -0.799 18901 10147 1 17 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.261 -0.068 18901 10148 1 17 . 1 1 73 73 PRO CA C 73 63.555 63.555 64.496 -0.941 18901 10149 1 17 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.024 0.212 18901 10150 1 17 . 1 1 74 74 SER N N 74 111.450 111.450 110.646 0.804 18901 10151 1 17 . 1 1 74 74 SER HA H 74 3.907 3.907 3.380 0.527 18901 10152 1 17 . 1 1 74 74 SER CA C 74 56.710 56.710 56.971 -0.261 18901 10153 1 17 . 1 1 74 74 SER CB C 74 64.647 64.647 62.497 2.150 18901 10154 1 17 . 1 1 74 74 SER H H 74 6.909 6.909 7.622 -0.713 18901 10155 1 17 . 1 1 75 75 CYS N N 75 124.103 124.103 120.459 3.644 18901 10156 1 17 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.133 -0.574 18901 10157 1 17 . 1 1 75 75 CYS C C 75 171.568 171.568 173.256 -1.688 18901 10158 1 17 . 1 1 75 75 CYS CA C 75 62.200 62.200 59.096 3.104 18901 10159 1 17 . 1 1 75 75 CYS CB C 75 26.251 26.251 27.444 -1.193 18901 10160 1 17 . 1 1 75 75 CYS H H 75 6.017 6.017 7.826 -1.809 18901 10161 1 17 . 1 1 76 76 LEU N N 76 121.191 121.191 122.339 -1.148 18901 10162 1 17 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.478 0.345 18901 10163 1 17 . 1 1 76 76 LEU C C 76 176.786 176.786 175.684 1.102 18901 10164 1 17 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.091 -0.726 18901 10165 1 17 . 1 1 76 76 LEU CB C 76 44.226 44.226 43.926 0.300 18901 10166 1 17 . 1 1 76 76 LEU H H 76 8.015 8.015 8.181 -0.166 18901 10167 1 17 . 1 1 77 77 VAL N N 77 126.347 126.347 126.253 0.094 18901 10168 1 17 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.362 -0.110 18901 10169 1 17 . 1 1 77 77 VAL C C 77 175.529 175.529 175.648 -0.119 18901 10170 1 17 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.368 0.283 18901 10171 1 17 . 1 1 77 77 VAL CB C 77 32.676 32.676 32.495 0.180 18901 10172 1 17 . 1 1 77 77 VAL H H 77 9.084 9.084 8.799 0.285 18901 10173 1 17 . 1 1 78 78 GLN N N 78 124.566 124.566 126.383 -1.817 18901 10174 1 17 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.580 -0.065 18901 10175 1 17 . 1 1 78 78 GLN C C 78 178.805 178.805 176.739 2.066 18901 10176 1 17 . 1 1 78 78 GLN CA C 78 56.916 56.916 55.761 1.155 18901 10177 1 17 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.013 1.385 18901 10178 1 17 . 1 1 78 78 GLN H H 78 8.908 8.908 8.835 0.073 18901 10179 1 17 . 1 1 79 79 SER N N 79 116.974 116.974 117.223 -0.249 18901 10180 1 17 . 1 1 79 79 SER HA H 79 4.087 4.087 4.215 -0.128 18901 10181 1 17 . 1 1 79 79 SER C C 79 177.179 177.179 176.002 1.177 18901 10182 1 17 . 1 1 79 79 SER CA C 79 62.454 62.454 59.852 2.602 18901 10183 1 17 . 1 1 79 79 SER CB C 79 62.787 62.787 62.849 -0.062 18901 10184 1 17 . 1 1 79 79 SER H H 79 8.458 8.458 8.668 -0.210 18901 10185 1 17 . 1 1 80 80 SER N N 80 114.734 114.734 117.770 -3.036 18901 10186 1 17 . 1 1 80 80 SER HA H 80 4.211 4.211 4.129 0.082 18901 10187 1 17 . 1 1 80 80 SER C C 80 177.853 177.853 176.393 1.460 18901 10188 1 17 . 1 1 80 80 SER CA C 80 61.190 61.190 61.541 -0.351 18901 10189 1 17 . 1 1 80 80 SER CB C 80 62.358 62.358 62.959 -0.601 18901 10190 1 17 . 1 1 80 80 SER H H 80 8.537 8.537 8.813 -0.276 18901 10191 1 17 . 1 1 81 81 SER N N 81 117.137 117.137 114.838 2.299 18901 10192 1 17 . 1 1 81 81 SER HA H 81 4.455 4.455 4.474 -0.019 18901 10193 1 17 . 1 1 81 81 SER C C 81 175.702 175.702 175.054 0.648 18901 10194 1 17 . 1 1 81 81 SER CA C 81 61.433 61.433 60.563 0.870 18901 10195 1 17 . 1 1 81 81 SER CB C 81 63.130 63.130 63.242 -0.112 18901 10196 1 17 . 1 1 81 81 SER H H 81 7.514 7.514 7.891 -0.377 18901 10197 1 17 . 1 1 82 82 LEU N N 82 117.548 117.548 119.847 -2.299 18901 10198 1 17 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.307 -0.274 18901 10199 1 17 . 1 1 82 82 LEU C C 82 179.445 179.445 179.267 0.178 18901 10200 1 17 . 1 1 82 82 LEU CA C 82 56.702 56.702 56.955 -0.253 18901 10201 1 17 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.650 0.138 18901 10202 1 17 . 1 1 82 82 LEU H H 82 7.629 7.629 7.343 0.286 18901 10203 1 17 . 1 1 83 83 SER N N 83 113.258 113.258 116.506 -3.248 18901 10204 1 17 . 1 1 83 83 SER HA H 83 4.214 4.214 4.145 0.069 18901 10205 1 17 . 1 1 83 83 SER C C 83 175.256 175.256 175.771 -0.515 18901 10206 1 17 . 1 1 83 83 SER CA C 83 61.192 61.192 61.489 -0.297 18901 10207 1 17 . 1 1 83 83 SER CB C 83 63.544 63.544 63.130 0.414 18901 10208 1 17 . 1 1 83 83 SER H H 83 7.805 7.805 7.795 0.010 18901 10209 1 17 . 1 1 84 84 ASN N N 84 116.565 116.565 117.715 -1.150 18901 10210 1 17 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.686 0.236 18901 10211 1 17 . 1 1 84 84 ASN C C 84 175.063 175.063 174.397 0.666 18901 10212 1 17 . 1 1 84 84 ASN CA C 84 52.672 52.672 54.373 -1.700 18901 10213 1 17 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.683 1.008 18901 10214 1 17 . 1 1 84 84 ASN H H 84 7.612 7.612 7.991 -0.379 18901 10215 1 17 . 1 1 85 85 ALA N N 85 119.819 119.819 121.162 -1.343 18901 10216 1 17 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.513 -0.264 18901 10217 1 17 . 1 1 85 85 ALA C C 85 178.113 178.113 177.208 0.905 18901 10218 1 17 . 1 1 85 85 ALA CA C 85 53.065 53.065 52.262 0.803 18901 10219 1 17 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.841 -0.021 18901 10220 1 17 . 1 1 85 85 ALA H H 85 7.558 7.558 7.332 0.226 18901 10221 1 17 . 1 1 86 86 HIS N N 86 118.388 118.388 118.045 0.343 18901 10222 1 17 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.769 -0.364 18901 10223 1 17 . 1 1 86 86 HIS C C 86 175.333 175.333 173.431 1.902 18901 10224 1 17 . 1 1 86 86 HIS CA C 86 55.619 55.619 54.717 0.902 18901 10225 1 17 . 1 1 86 86 HIS CB C 86 29.198 29.198 33.412 -4.214 18901 10226 1 17 . 1 1 86 86 HIS H H 86 8.280 8.280 8.386 -0.106 18901 10227 1 17 . 1 1 87 87 ILE N N 87 126.618 126.618 122.464 4.154 18901 10228 1 17 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.485 -0.430 18901 10229 1 17 . 1 1 87 87 ILE C C 87 174.718 174.718 175.183 -0.465 18901 10230 1 17 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.207 1.220 18901 10231 1 17 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.926 -1.484 18901 10232 1 17 . 1 1 87 87 ILE H H 87 7.873 7.873 8.149 -0.276 18901 10233 1 17 . 1 1 88 88 ASP N N 88 124.684 124.684 126.740 -2.056 18901 10234 1 17 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.463 0.049 18901 10235 1 17 . 1 1 88 88 ASP C C 88 176.506 176.506 175.296 1.210 18901 10236 1 17 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.936 -1.699 18901 10237 1 17 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.406 1.355 18901 10238 1 17 . 1 1 88 88 ASP H H 88 8.572 8.572 8.641 -0.069 18901 10239 1 17 . 1 1 89 89 TYR N N 89 122.959 122.959 125.242 -2.283 18901 10240 1 17 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.722 -0.343 18901 10241 1 17 . 1 1 89 89 TYR C C 89 176.631 176.631 174.812 1.819 18901 10242 1 17 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.204 1.425 18901 10243 1 17 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.504 -0.042 18901 10244 1 17 . 1 1 89 89 TYR H H 89 8.533 8.533 8.683 -0.150 18901 10245 1 17 . 1 1 90 90 THR N N 90 115.232 115.232 113.562 1.670 18901 10246 1 17 . 1 1 90 90 THR HA H 90 3.974 3.974 4.526 -0.552 18901 10247 1 17 . 1 1 90 90 THR C C 90 176.298 176.298 175.093 1.205 18901 10248 1 17 . 1 1 90 90 THR CA C 90 65.610 65.610 62.565 3.045 18901 10249 1 17 . 1 1 90 90 THR CB C 90 68.758 68.758 69.968 -1.210 18901 10250 1 17 . 1 1 90 90 THR H H 90 8.024 8.024 8.570 -0.546 18901 10251 1 17 . 1 1 91 91 THR N N 91 112.253 112.253 113.358 -1.105 18901 10252 1 17 . 1 1 91 91 THR HA H 91 4.290 4.290 4.490 -0.200 18901 10253 1 17 . 1 1 91 91 THR C C 91 174.644 174.644 174.067 0.577 18901 10254 1 17 . 1 1 91 91 THR CA C 91 61.288 61.288 62.584 -1.296 18901 10255 1 17 . 1 1 91 91 THR CB C 91 69.418 69.418 70.493 -1.075 18901 10256 1 17 . 1 1 91 91 THR H H 91 8.013 8.013 8.295 -0.282 18901 10257 1 17 . 1 1 92 92 LYS N N 92 121.833 121.833 120.725 1.108 18901 10258 1 17 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.658 -0.199 18901 10259 1 17 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.492 0.940 18901 10260 1 17 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.430 -6.007 18901 10261 1 17 . 1 1 92 92 LYS H H 92 7.883 7.883 7.748 0.135 18901 10262 1 17 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.625 -0.414 18901 10263 1 17 . 1 1 93 93 PRO C C 93 176.775 176.775 175.573 1.202 18901 10264 1 17 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.874 0.511 18901 10265 1 17 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.274 0.940 18901 10266 1 17 . 1 1 94 94 ALA N N 94 122.487 122.487 125.589 -3.102 18901 10267 1 17 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.951 -0.086 18901 10268 1 17 . 1 1 94 94 ALA C C 94 175.790 175.790 175.774 0.016 18901 10269 1 17 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.315 0.696 18901 10270 1 17 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.614 0.226 18901 10271 1 17 . 1 1 94 94 ALA H H 94 8.072 8.072 7.676 0.396 18901 10272 1 17 . 1 1 95 95 ILE N N 95 120.526 120.526 122.696 -2.170 18901 10273 1 17 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.434 -0.143 18901 10274 1 17 . 1 1 95 95 ILE C C 95 175.063 175.063 175.609 -0.546 18901 10275 1 17 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.552 -1.122 18901 10276 1 17 . 1 1 95 95 ILE CB C 95 40.656 40.656 38.767 1.889 18901 10277 1 17 . 1 1 95 95 ILE H H 95 8.099 8.099 7.964 0.135 18901 10278 1 17 . 1 1 96 96 ILE N N 96 126.053 126.053 126.653 -0.600 18901 10279 1 17 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.819 0.135 18901 10280 1 17 . 1 1 96 96 ILE C C 96 175.609 175.609 175.603 0.006 18901 10281 1 17 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.230 1.060 18901 10282 1 17 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.757 2.142 18901 10283 1 17 . 1 1 96 96 ILE H H 96 9.393 9.393 8.556 0.837 18901 10284 1 17 . 1 1 97 97 PHE N N 97 120.455 120.455 126.061 -5.606 18901 10285 1 17 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.204 0.813 18901 10286 1 17 . 1 1 97 97 PHE C C 97 177.044 177.044 175.041 2.003 18901 10287 1 17 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.723 -0.954 18901 10288 1 17 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.862 0.824 18901 10289 1 17 . 1 1 97 97 PHE H H 97 8.626 8.626 8.207 0.419 18901 10290 1 17 . 1 1 98 98 ARG N N 98 117.253 117.253 120.877 -3.624 18901 10291 1 17 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.985 0.456 18901 10292 1 17 . 1 1 98 98 ARG C C 98 176.125 176.125 174.222 1.903 18901 10293 1 17 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.705 0.258 18901 10294 1 17 . 1 1 98 98 ARG CB C 98 35.621 35.621 31.630 3.991 18901 10295 1 17 . 1 1 98 98 ARG H H 98 9.041 9.041 8.856 0.185 18901 10296 1 17 . 1 1 99 99 ILE N N 99 120.894 120.894 124.122 -3.228 18901 10297 1 17 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.630 0.389 18901 10298 1 17 . 1 1 99 99 ILE C C 99 174.486 174.486 173.623 0.863 18901 10299 1 17 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.836 1.098 18901 10300 1 17 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.704 0.711 18901 10301 1 17 . 1 1 99 99 ILE H H 99 8.499 8.499 7.701 0.798 18901 10302 1 17 . 1 1 100 100 ALA N N 100 127.368 127.368 127.624 -0.256 18901 10303 1 17 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.466 0.422 18901 10304 1 17 . 1 1 100 100 ALA C C 100 175.044 175.044 174.365 0.679 18901 10305 1 17 . 1 1 100 100 ALA CA C 100 51.356 51.356 49.801 1.555 18901 10306 1 17 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.140 2.450 18901 10307 1 17 . 1 1 100 100 ALA H H 100 8.779 8.779 7.882 0.897 18901 10308 1 17 . 1 1 101 101 ALA N N 101 123.472 123.472 121.093 2.379 18901 10309 1 17 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.968 2.150 18901 10310 1 17 . 1 1 101 101 ALA C C 101 174.314 174.314 176.544 -2.230 18901 10311 1 17 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.319 0.249 18901 10312 1 17 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.195 5.426 18901 10313 1 17 . 1 1 101 101 ALA H H 101 9.955 9.955 7.992 1.963 18901 10314 1 17 . 1 1 102 102 ARG N N 102 119.295 119.295 124.828 -5.533 18901 10315 1 17 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.499 0.092 18901 10316 1 17 . 1 1 102 102 ARG C C 102 176.649 176.649 174.698 1.951 18901 10317 1 17 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.572 -0.501 18901 10318 1 17 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.817 3.353 18901 10319 1 17 . 1 1 102 102 ARG H H 102 8.474 8.474 8.248 0.226 18901 10320 1 17 . 1 1 103 103 ASN N N 103 124.198 124.198 123.318 0.880 18901 10321 1 17 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.206 0.248 18901 10322 1 17 . 1 1 103 103 ASN C C 103 176.327 176.327 175.086 1.241 18901 10323 1 17 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.038 0.267 18901 10324 1 17 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.529 -0.869 18901 10325 1 17 . 1 1 103 103 ASN H H 103 7.816 7.816 8.171 -0.355 18901 10326 1 17 . 1 1 104 104 GLU N N 104 115.270 115.270 118.674 -3.404 18901 10327 1 17 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.012 -0.159 18901 10328 1 17 . 1 1 104 104 GLU C C 104 177.716 177.716 177.750 -0.034 18901 10329 1 17 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.690 1.215 18901 10330 1 17 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.804 -0.640 18901 10331 1 17 . 1 1 104 104 GLU H H 104 9.416 9.416 8.157 1.259 18901 10332 1 17 . 1 1 105 105 LYS N N 105 116.576 116.576 116.780 -0.204 18901 10333 1 17 . 1 1 105 105 LYS HA H 105 4.262 4.262 3.924 0.338 18901 10334 1 17 . 1 1 105 105 LYS C C 105 177.667 177.667 176.840 0.827 18901 10335 1 17 . 1 1 105 105 LYS CA C 105 57.055 57.055 55.920 1.135 18901 10336 1 17 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.604 0.447 18901 10337 1 17 . 1 1 105 105 LYS H H 105 7.737 7.737 7.737 0.000 18901 10338 1 17 . 1 1 106 106 GLY N N 106 104.067 104.067 105.280 -1.213 18901 10339 1 17 . 1 1 106 106 GLY C C 106 172.796 172.796 173.065 -0.269 18901 10340 1 17 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.934 0.982 18901 10341 1 17 . 1 1 106 106 GLY H H 106 7.906 7.906 8.010 -0.104 18901 10342 1 17 . 1 1 107 107 TYR N N 107 117.296 117.296 123.706 -6.410 18901 10343 1 17 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.708 0.041 18901 10344 1 17 . 1 1 107 107 TYR C C 107 178.772 178.772 176.293 2.479 18901 10345 1 17 . 1 1 107 107 TYR CA C 107 59.800 59.800 56.457 3.343 18901 10346 1 17 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.877 3.689 18901 10347 1 17 . 1 1 107 107 TYR H H 107 8.378 8.378 8.760 -0.382 18901 10348 1 17 . 1 1 108 108 GLY N N 108 107.379 107.379 111.174 -3.795 18901 10349 1 17 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.496 -1.234 18901 10350 1 17 . 1 1 108 108 GLY H H 108 8.651 8.651 7.998 0.653 18901 10351 1 17 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.511 -0.566 18901 10352 1 17 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.274 0.597 18901 10353 1 17 . 1 1 110 110 ALA C C 110 179.404 179.404 176.687 2.717 18901 10354 1 17 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.134 -0.866 18901 10355 1 17 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.110 -1.995 18901 10356 1 17 . 1 1 111 111 THR N N 111 118.432 118.432 117.161 1.271 18901 10357 1 17 . 1 1 111 111 THR HA H 111 4.396 4.396 4.214 0.182 18901 10358 1 17 . 1 1 111 111 THR C C 111 173.449 173.449 174.088 -0.639 18901 10359 1 17 . 1 1 111 111 THR CA C 111 61.721 61.721 63.004 -1.283 18901 10360 1 17 . 1 1 111 111 THR CB C 111 69.967 69.967 69.509 0.458 18901 10361 1 17 . 1 1 111 111 THR H H 111 8.810 8.810 8.055 0.755 18901 10362 1 17 . 1 1 112 112 GLN N N 112 127.590 127.590 128.317 -0.727 18901 10363 1 17 . 1 1 112 112 GLN HA H 112 5.337 5.337 5.039 0.298 18901 10364 1 17 . 1 1 112 112 GLN C C 112 175.442 175.442 175.157 0.285 18901 10365 1 17 . 1 1 112 112 GLN CA C 112 54.803 54.803 53.926 0.877 18901 10366 1 17 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.889 1.864 18901 10367 1 17 . 1 1 112 112 GLN H H 112 8.698 8.698 8.595 0.103 18901 10368 1 17 . 1 1 113 113 VAL N N 113 123.646 123.646 119.637 4.009 18901 10369 1 17 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.351 0.223 18901 10370 1 17 . 1 1 113 113 VAL C C 113 173.891 173.891 174.913 -1.022 18901 10371 1 17 . 1 1 113 113 VAL CA C 113 60.284 60.284 61.211 -0.926 18901 10372 1 17 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.190 2.874 18901 10373 1 17 . 1 1 113 113 VAL H H 113 9.101 9.101 8.111 0.990 18901 10374 1 17 . 1 1 114 114 ARG N N 114 122.944 122.944 122.768 0.176 18901 10375 1 17 . 1 1 114 114 ARG HA H 114 4.933 4.933 4.922 0.011 18901 10376 1 17 . 1 1 114 114 ARG C C 114 175.683 175.683 176.422 -0.739 18901 10377 1 17 . 1 1 114 114 ARG CA C 114 54.749 54.749 55.299 -0.550 18901 10378 1 17 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.453 0.600 18901 10379 1 17 . 1 1 114 114 ARG H H 114 8.434 8.434 8.554 -0.120 18901 10380 1 17 . 1 1 115 115 TRP N N 115 126.067 126.067 129.706 -3.639 18901 10381 1 17 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.780 0.477 18901 10382 1 17 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.560 -1.039 18901 10383 1 17 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.560 1.488 18901 10384 1 17 . 1 1 115 115 TRP H H 115 9.944 9.944 9.337 0.607 18901 10385 1 17 . 1 1 116 116 LEU N N 116 130.031 130.031 124.145 5.886 18901 10386 1 17 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.153 0.110 18901 10387 1 17 . 1 1 116 116 LEU CA C 116 55.697 55.697 55.243 0.454 18901 10388 1 17 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.363 -0.636 18901 10389 1 17 . 1 1 116 116 LEU H H 116 8.722 8.722 7.913 0.809 18901 10390 1 17 . 1 1 117 117 GLN N N 117 124.737 124.737 118.149 6.588 18901 10391 1 17 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.924 0.124 18901 10392 1 17 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.657 0.778 18901 10393 1 17 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.503 3.165 18901 10394 1 17 . 1 1 117 117 GLN H H 117 7.453 7.453 8.901 -1.448 18901 10395 1 17 . 1 1 118 118 GLU N N 118 118.531 118.531 119.499 -0.968 18901 10396 1 17 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.897 -0.502 18901 10397 1 17 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.226 -1.544 18901 10398 1 17 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.644 -0.272 18901 10399 1 17 . 1 1 118 118 GLU H H 118 7.891 7.891 7.817 0.074 18901 10400 1 17 . 1 1 119 119 THR N N 119 121.831 121.831 115.034 6.797 18901 10401 1 17 . 1 1 119 119 THR HA H 119 4.267 4.267 4.430 -0.163 18901 10402 1 17 . 1 1 119 119 THR CA C 119 55.604 55.604 61.826 -6.222 18901 10403 1 17 . 1 1 119 119 THR CB C 119 69.285 69.285 70.301 -1.016 18901 10404 1 17 . 1 1 119 119 THR H H 119 7.892 7.892 7.800 0.092 18901 10405 1 18 . 1 1 6 6 PHE N N 6 117.872 117.872 120.126 -2.254 18901 10406 1 18 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.704 0.086 18901 10407 1 18 . 1 1 6 6 PHE CA C 6 56.026 56.026 56.451 -0.425 18901 10408 1 18 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.877 -1.617 18901 10409 1 18 . 1 1 6 6 PHE H H 6 7.818 7.818 8.387 -0.569 18901 10410 1 18 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.193 -59.007 18901 10411 1 18 . 1 1 8 8 GLY N N 8 101.657 101.657 108.412 -6.755 18901 10412 1 18 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.443 -0.267 18901 10413 1 18 . 1 1 8 8 GLY H H 8 7.927 7.927 7.961 -0.034 18901 10414 1 18 . 1 1 9 9 ALA N N 9 120.767 120.767 122.303 -1.536 18901 10415 1 18 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.658 0.207 18901 10416 1 18 . 1 1 9 9 ALA CA C 9 50.198 50.198 49.762 0.436 18901 10417 1 18 . 1 1 9 9 ALA CB C 9 18.937 18.937 19.812 -0.875 18901 10418 1 18 . 1 1 9 9 ALA H H 9 8.235 8.235 8.260 -0.025 18901 10419 1 18 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.463 -0.106 18901 10420 1 18 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.916 0.396 18901 10421 1 18 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.827 -0.015 18901 10422 1 18 . 1 1 11 11 CYS N N 11 114.905 114.905 118.769 -3.864 18901 10423 1 18 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.751 0.187 18901 10424 1 18 . 1 1 11 11 CYS C C 11 172.706 172.706 174.551 -1.845 18901 10425 1 18 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.467 -0.629 18901 10426 1 18 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.200 0.939 18901 10427 1 18 . 1 1 11 11 CYS H H 11 8.084 8.084 8.558 -0.474 18901 10428 1 18 . 1 1 12 12 ALA N N 12 120.844 120.844 121.710 -0.866 18901 10429 1 18 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.021 -0.094 18901 10430 1 18 . 1 1 12 12 ALA C C 12 176.005 176.005 176.726 -0.721 18901 10431 1 18 . 1 1 12 12 ALA CA C 12 52.764 52.764 52.837 -0.073 18901 10432 1 18 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.753 -0.157 18901 10433 1 18 . 1 1 12 12 ALA H H 12 8.535 8.535 8.619 -0.084 18901 10434 1 18 . 1 1 13 13 ILE N N 13 116.800 116.800 118.308 -1.508 18901 10435 1 18 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.272 0.181 18901 10436 1 18 . 1 1 13 13 ILE C C 13 177.506 177.506 176.499 1.007 18901 10437 1 18 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.624 -0.289 18901 10438 1 18 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.670 -0.802 18901 10439 1 18 . 1 1 13 13 ILE H H 13 7.802 7.802 7.731 0.071 18901 10440 1 18 . 1 1 14 14 LYS N N 14 129.030 129.030 127.052 1.978 18901 10441 1 18 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.751 -0.154 18901 10442 1 18 . 1 1 14 14 LYS C C 14 175.508 175.508 174.733 0.775 18901 10443 1 18 . 1 1 14 14 LYS CA C 14 55.552 55.552 55.102 0.450 18901 10444 1 18 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.797 -0.509 18901 10445 1 18 . 1 1 14 14 LYS H H 14 9.249 9.249 8.542 0.707 18901 10446 1 18 . 1 1 15 15 ILE N N 15 121.333 121.333 120.718 0.615 18901 10447 1 18 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.538 0.046 18901 10448 1 18 . 1 1 15 15 ILE C C 15 175.983 175.983 175.352 0.631 18901 10449 1 18 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.188 0.620 18901 10450 1 18 . 1 1 15 15 ILE CB C 15 40.620 40.620 39.249 1.371 18901 10451 1 18 . 1 1 15 15 ILE H H 15 8.231 8.231 8.569 -0.338 18901 10452 1 18 . 1 1 16 16 SER N N 16 120.251 120.251 122.103 -1.852 18901 10453 1 18 . 1 1 16 16 SER HA H 16 4.933 4.933 4.671 0.262 18901 10454 1 18 . 1 1 16 16 SER C C 16 173.725 173.725 173.973 -0.248 18901 10455 1 18 . 1 1 16 16 SER CA C 16 56.656 56.656 57.815 -1.159 18901 10456 1 18 . 1 1 16 16 SER CB C 16 65.750 65.750 64.206 1.544 18901 10457 1 18 . 1 1 16 16 SER H H 16 8.694 8.694 8.178 0.516 18901 10458 1 18 . 1 1 17 17 LYS N N 17 124.155 124.155 121.805 2.350 18901 10459 1 18 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.657 0.003 18901 10460 1 18 . 1 1 17 17 LYS C C 17 175.815 175.815 176.003 -0.188 18901 10461 1 18 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.438 0.837 18901 10462 1 18 . 1 1 17 17 LYS CB C 17 34.566 34.566 34.032 0.534 18901 10463 1 18 . 1 1 17 17 LYS H H 17 8.985 8.985 8.612 0.373 18901 10464 1 18 . 1 1 18 18 SER N N 18 121.663 121.663 117.464 4.199 18901 10465 1 18 . 1 1 18 18 SER HA H 18 5.076 5.076 4.968 0.108 18901 10466 1 18 . 1 1 18 18 SER CA C 18 56.676 56.676 55.843 0.833 18901 10467 1 18 . 1 1 18 18 SER CB C 18 64.993 64.993 64.211 0.782 18901 10468 1 18 . 1 1 18 18 SER H H 18 8.555 8.555 8.532 0.023 18901 10469 1 18 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.412 -0.078 18901 10470 1 18 . 1 1 19 19 PRO C C 19 177.406 177.406 177.122 0.284 18901 10471 1 18 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.879 0.610 18901 10472 1 18 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.257 -0.192 18901 10473 1 18 . 1 1 20 20 ASP N N 20 110.573 110.573 118.331 -7.758 18901 10474 1 18 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.667 0.012 18901 10475 1 18 . 1 1 20 20 ASP C C 20 176.667 176.667 177.223 -0.556 18901 10476 1 18 . 1 1 20 20 ASP CA C 20 53.558 53.558 55.136 -1.578 18901 10477 1 18 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.212 0.211 18901 10478 1 18 . 1 1 20 20 ASP H H 20 8.019 8.019 8.608 -0.589 18901 10479 1 18 . 1 1 21 21 GLY N N 21 107.592 107.592 103.928 3.664 18901 10480 1 18 . 1 1 21 21 GLY C C 21 172.365 172.365 172.038 0.327 18901 10481 1 18 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.461 1.269 18901 10482 1 18 . 1 1 21 21 GLY H H 21 7.623 7.623 7.664 -0.041 18901 10483 1 18 . 1 1 22 22 ALA N N 22 123.764 123.764 120.883 2.881 18901 10484 1 18 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.053 -0.266 18901 10485 1 18 . 1 1 22 22 ALA C C 22 175.801 175.801 176.315 -0.514 18901 10486 1 18 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.906 -0.127 18901 10487 1 18 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.649 -0.515 18901 10488 1 18 . 1 1 22 22 ALA H H 22 8.704 8.704 8.134 0.570 18901 10489 1 18 . 1 1 23 23 HIS N N 23 120.666 120.666 123.387 -2.721 18901 10490 1 18 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.476 0.505 18901 10491 1 18 . 1 1 23 23 HIS C C 23 174.199 174.199 174.755 -0.556 18901 10492 1 18 . 1 1 23 23 HIS CA C 23 54.267 54.267 55.089 -0.822 18901 10493 1 18 . 1 1 23 23 HIS CB C 23 29.989 29.989 27.931 2.058 18901 10494 1 18 . 1 1 23 23 HIS H H 23 9.088 9.088 8.545 0.543 18901 10495 1 18 . 1 1 24 24 LEU N N 24 127.467 127.467 124.610 2.857 18901 10496 1 18 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.069 1.111 18901 10497 1 18 . 1 1 24 24 LEU C C 24 176.430 176.430 176.967 -0.537 18901 10498 1 18 . 1 1 24 24 LEU CA C 24 55.528 55.528 55.293 0.235 18901 10499 1 18 . 1 1 24 24 LEU CB C 24 44.957 44.957 40.556 4.401 18901 10500 1 18 . 1 1 24 24 LEU H H 24 8.702 8.702 7.630 1.072 18901 10501 1 18 . 1 1 25 25 THR N N 25 111.459 111.459 115.841 -4.382 18901 10502 1 18 . 1 1 25 25 THR HA H 25 4.186 4.186 4.066 0.120 18901 10503 1 18 . 1 1 25 25 THR C C 25 172.720 172.720 171.946 0.774 18901 10504 1 18 . 1 1 25 25 THR CA C 25 60.798 60.798 60.658 0.140 18901 10505 1 18 . 1 1 25 25 THR CB C 25 72.021 72.021 71.563 0.458 18901 10506 1 18 . 1 1 25 25 THR H H 25 8.643 8.643 8.620 0.023 18901 10507 1 18 . 1 1 26 26 TRP N N 26 117.073 117.073 119.748 -2.675 18901 10508 1 18 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.083 -0.050 18901 10509 1 18 . 1 1 26 26 TRP C C 26 173.425 173.425 175.469 -2.044 18901 10510 1 18 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.502 1.185 18901 10511 1 18 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.155 -0.998 18901 10512 1 18 . 1 1 26 26 TRP H H 26 7.301 7.301 7.448 -0.147 18901 10513 1 18 . 1 1 27 27 GLU N N 27 115.563 115.563 121.745 -6.182 18901 10514 1 18 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.609 0.213 18901 10515 1 18 . 1 1 27 27 GLU CA C 27 52.889 52.889 55.256 -2.367 18901 10516 1 18 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.583 0.247 18901 10517 1 18 . 1 1 27 27 GLU H H 27 8.753 8.753 8.404 0.349 18901 10518 1 18 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.680 -0.341 18901 10519 1 18 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.791 3.756 18901 10520 1 18 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.312 0.829 18901 10521 1 18 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.539 -0.254 18901 10522 1 18 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.448 -1.468 18901 10523 1 18 . 1 1 29 29 PRO CB C 29 32.884 32.884 30.070 2.814 18901 10524 1 18 . 1 1 30 30 SER N N 30 110.838 110.838 116.785 -5.947 18901 10525 1 18 . 1 1 30 30 SER HA H 30 3.910 3.910 4.650 -0.740 18901 10526 1 18 . 1 1 30 30 SER CA C 30 56.967 56.967 57.452 -0.485 18901 10527 1 18 . 1 1 30 30 SER CB C 30 64.771 64.771 63.885 0.886 18901 10528 1 18 . 1 1 30 30 SER H H 30 8.317 8.317 8.352 -0.035 18901 10529 1 18 . 1 1 31 31 VAL N N 31 114.209 114.209 119.994 -5.785 18901 10530 1 18 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.073 0.135 18901 10531 1 18 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.680 -1.900 18901 10532 1 18 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.027 0.744 18901 10533 1 18 . 1 1 31 31 VAL H H 31 8.320 8.320 7.889 0.431 18901 10534 1 18 . 1 1 32 32 THR N N 32 119.600 119.600 110.235 9.365 18901 10535 1 18 . 1 1 32 32 THR HA H 32 4.179 4.179 4.480 -0.301 18901 10536 1 18 . 1 1 32 32 THR CA C 32 60.465 60.465 61.101 -0.636 18901 10537 1 18 . 1 1 32 32 THR CB C 32 63.211 63.211 70.764 -7.553 18901 10538 1 18 . 1 1 32 32 THR H H 32 7.828 7.828 7.539 0.289 18901 10539 1 18 . 1 1 33 33 SER N N 33 115.967 115.967 116.505 -0.538 18901 10540 1 18 . 1 1 33 33 SER HA H 33 4.179 4.179 4.400 -0.221 18901 10541 1 18 . 1 1 33 33 SER C C 33 174.332 174.332 174.977 -0.645 18901 10542 1 18 . 1 1 33 33 SER CA C 33 60.428 60.428 59.337 1.091 18901 10543 1 18 . 1 1 33 33 SER CB C 33 62.209 62.209 62.131 0.078 18901 10544 1 18 . 1 1 33 33 SER H H 33 8.292 8.292 8.664 -0.372 18901 10545 1 18 . 1 1 34 34 GLY N N 34 106.879 106.879 110.781 -3.902 18901 10546 1 18 . 1 1 34 34 GLY C C 34 173.709 173.709 172.827 0.882 18901 10547 1 18 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.714 -0.343 18901 10548 1 18 . 1 1 34 34 GLY H H 34 7.848 7.848 7.645 0.203 18901 10549 1 18 . 1 1 35 35 LYS N N 35 122.205 122.205 119.205 3.000 18901 10550 1 18 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.533 -0.223 18901 10551 1 18 . 1 1 35 35 LYS C C 35 176.262 176.262 174.845 1.417 18901 10552 1 18 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.568 0.103 18901 10553 1 18 . 1 1 35 35 LYS CB C 35 34.247 34.247 33.585 0.662 18901 10554 1 18 . 1 1 35 35 LYS H H 35 8.628 8.628 8.248 0.380 18901 10555 1 18 . 1 1 36 36 ILE N N 36 120.178 120.178 125.292 -5.114 18901 10556 1 18 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.555 -0.434 18901 10557 1 18 . 1 1 36 36 ILE C C 36 177.751 177.751 176.345 1.406 18901 10558 1 18 . 1 1 36 36 ILE CA C 36 58.921 58.921 60.285 -1.364 18901 10559 1 18 . 1 1 36 36 ILE CB C 36 35.312 35.312 40.502 -5.190 18901 10560 1 18 . 1 1 36 36 ILE H H 36 8.344 8.344 8.674 -0.330 18901 10561 1 18 . 1 1 37 37 ILE N N 37 122.285 122.285 122.362 -0.077 18901 10562 1 18 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.634 -0.417 18901 10563 1 18 . 1 1 37 37 ILE C C 37 176.085 176.085 175.765 0.320 18901 10564 1 18 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.283 -0.341 18901 10565 1 18 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.271 -0.472 18901 10566 1 18 . 1 1 37 37 ILE H H 37 8.460 8.460 9.154 -0.694 18901 10567 1 18 . 1 1 38 38 GLU N N 38 116.489 116.489 119.255 -2.766 18901 10568 1 18 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.618 -0.449 18901 10569 1 18 . 1 1 38 38 GLU C C 38 171.864 171.864 174.191 -2.327 18901 10570 1 18 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.347 0.629 18901 10571 1 18 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.448 2.032 18901 10572 1 18 . 1 1 38 38 GLU H H 38 7.143 7.143 7.566 -0.423 18901 10573 1 18 . 1 1 39 39 TYR N N 39 118.418 118.418 117.292 1.126 18901 10574 1 18 . 1 1 39 39 TYR HA H 39 5.695 5.695 4.867 0.828 18901 10575 1 18 . 1 1 39 39 TYR C C 39 176.190 176.190 174.548 1.642 18901 10576 1 18 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.469 -0.558 18901 10577 1 18 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.880 0.856 18901 10578 1 18 . 1 1 39 39 TYR H H 39 8.860 8.860 8.329 0.531 18901 10579 1 18 . 1 1 40 40 SER N N 40 111.613 111.613 113.147 -1.534 18901 10580 1 18 . 1 1 40 40 SER HA H 40 5.497 5.497 4.474 1.023 18901 10581 1 18 . 1 1 40 40 SER C C 40 172.888 172.888 171.967 0.921 18901 10582 1 18 . 1 1 40 40 SER CA C 40 58.729 58.729 56.630 2.099 18901 10583 1 18 . 1 1 40 40 SER CB C 40 69.596 69.596 66.553 3.043 18901 10584 1 18 . 1 1 40 40 SER H H 40 8.705 8.705 8.858 -0.153 18901 10585 1 18 . 1 1 41 41 VAL N N 41 119.202 119.202 121.580 -2.378 18901 10586 1 18 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.365 0.471 18901 10587 1 18 . 1 1 41 41 VAL C C 41 175.106 175.106 174.599 0.507 18901 10588 1 18 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.520 -0.854 18901 10589 1 18 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.895 -0.204 18901 10590 1 18 . 1 1 41 41 VAL H H 41 8.428 8.428 8.345 0.083 18901 10591 1 18 . 1 1 42 42 TYR N N 42 124.792 124.792 125.246 -0.454 18901 10592 1 18 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.267 0.229 18901 10593 1 18 . 1 1 42 42 TYR C C 42 174.659 174.659 174.234 0.425 18901 10594 1 18 . 1 1 42 42 TYR CA C 42 55.760 55.760 55.272 0.488 18901 10595 1 18 . 1 1 42 42 TYR CB C 42 42.396 42.396 39.774 2.622 18901 10596 1 18 . 1 1 42 42 TYR H H 42 9.773 9.773 9.008 0.765 18901 10597 1 18 . 1 1 43 43 LEU N N 43 123.210 123.210 124.832 -1.622 18901 10598 1 18 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.836 0.417 18901 10599 1 18 . 1 1 43 43 LEU C C 43 176.296 176.296 175.170 1.126 18901 10600 1 18 . 1 1 43 43 LEU CA C 43 53.346 53.346 52.433 0.913 18901 10601 1 18 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.497 2.052 18901 10602 1 18 . 1 1 43 43 LEU H H 43 9.368 9.368 8.833 0.535 18901 10603 1 18 . 1 1 44 44 ALA N N 44 127.556 127.556 130.241 -2.685 18901 10604 1 18 . 1 1 44 44 ALA HA H 44 4.324 4.324 5.234 -0.910 18901 10605 1 18 . 1 1 44 44 ALA C C 44 178.318 178.318 176.669 1.649 18901 10606 1 18 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.235 -0.491 18901 10607 1 18 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.245 -0.596 18901 10608 1 18 . 1 1 44 44 ALA H H 44 8.366 8.366 8.081 0.285 18901 10609 1 18 . 1 1 45 45 ILE N N 45 119.672 119.672 119.628 0.044 18901 10610 1 18 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.236 -0.493 18901 10611 1 18 . 1 1 45 45 ILE C C 45 175.937 175.937 174.864 1.073 18901 10612 1 18 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.302 1.818 18901 10613 1 18 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.120 0.669 18901 10614 1 18 . 1 1 45 45 ILE H H 45 8.599 8.599 8.082 0.517 18901 10615 1 18 . 1 1 46 46 GLN N N 46 120.248 120.248 121.017 -0.769 18901 10616 1 18 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.371 0.036 18901 10617 1 18 . 1 1 46 46 GLN C C 46 176.355 176.355 175.094 1.261 18901 10618 1 18 . 1 1 46 46 GLN CA C 46 55.814 55.814 55.716 0.098 18901 10619 1 18 . 1 1 46 46 GLN CB C 46 29.840 29.840 27.413 2.427 18901 10620 1 18 . 1 1 46 46 GLN H H 46 8.207 8.207 8.725 -0.518 18901 10621 1 18 . 1 1 47 47 SER N N 47 117.541 117.541 118.364 -0.823 18901 10622 1 18 . 1 1 47 47 SER HA H 47 4.445 4.445 4.489 -0.044 18901 10623 1 18 . 1 1 47 47 SER C C 47 175.100 175.100 171.910 3.190 18901 10624 1 18 . 1 1 47 47 SER CA C 47 57.957 57.957 58.284 -0.327 18901 10625 1 18 . 1 1 47 47 SER CB C 47 64.188 64.188 64.023 0.165 18901 10626 1 18 . 1 1 47 47 SER H H 47 8.316 8.316 8.234 0.082 18901 10627 1 18 . 1 1 48 48 SER N N 48 116.421 116.421 115.600 0.821 18901 10628 1 18 . 1 1 48 48 SER HA H 48 4.446 4.446 4.675 -0.229 18901 10629 1 18 . 1 1 48 48 SER CA C 48 58.395 58.395 58.242 0.153 18901 10630 1 18 . 1 1 48 48 SER CB C 48 63.932 63.932 64.078 -0.146 18901 10631 1 18 . 1 1 48 48 SER H H 48 8.096 8.096 8.351 -0.255 18901 10632 1 18 . 1 1 49 49 GLN N N 49 120.755 120.755 126.378 -5.623 18901 10633 1 18 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.759 -0.448 18901 10634 1 18 . 1 1 49 49 GLN C C 49 176.420 176.420 173.605 2.815 18901 10635 1 18 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.199 0.643 18901 10636 1 18 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.858 -1.107 18901 10637 1 18 . 1 1 49 49 GLN H H 49 8.308 8.308 8.559 -0.251 18901 10638 1 18 . 1 1 50 50 ALA N N 50 124.199 124.199 123.509 0.690 18901 10639 1 18 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.593 -0.281 18901 10640 1 18 . 1 1 50 50 ALA C C 50 178.375 178.375 175.906 2.469 18901 10641 1 18 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.140 0.480 18901 10642 1 18 . 1 1 50 50 ALA CB C 50 19.453 19.453 20.285 -0.832 18901 10643 1 18 . 1 1 50 50 ALA H H 50 8.219 8.219 8.534 -0.315 18901 10644 1 18 . 1 1 51 51 SER N N 51 113.652 113.652 115.711 -2.059 18901 10645 1 18 . 1 1 51 51 SER HA H 51 4.307 4.307 4.548 -0.241 18901 10646 1 18 . 1 1 51 51 SER C C 51 175.739 175.739 174.328 1.411 18901 10647 1 18 . 1 1 51 51 SER CA C 51 52.695 52.695 58.709 -6.014 18901 10648 1 18 . 1 1 51 51 SER CB C 51 62.104 62.104 64.642 -2.538 18901 10649 1 18 . 1 1 51 51 SER H H 51 8.148 8.148 8.503 -0.355 18901 10650 1 18 . 1 1 52 52 GLY N N 52 109.442 109.442 112.412 -2.970 18901 10651 1 18 . 1 1 52 52 GLY C C 52 174.511 174.511 173.486 1.025 18901 10652 1 18 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.395 0.003 18901 10653 1 18 . 1 1 52 52 GLY H H 52 8.267 8.267 8.212 0.055 18901 10654 1 18 . 1 1 53 53 GLU N N 53 120.137 120.137 123.050 -2.913 18901 10655 1 18 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.612 -0.059 18901 10656 1 18 . 1 1 53 53 GLU CA C 53 54.055 54.055 53.890 0.165 18901 10657 1 18 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.623 -0.779 18901 10658 1 18 . 1 1 53 53 GLU H H 53 7.951 7.951 8.040 -0.089 18901 10659 1 18 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.451 -0.086 18901 10660 1 18 . 1 1 54 54 PRO C C 54 177.830 177.830 176.617 1.213 18901 10661 1 18 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.924 0.786 18901 10662 1 18 . 1 1 54 54 PRO CB C 54 32.712 32.712 32.384 0.328 18901 10663 1 18 . 1 1 55 55 LYS N N 55 119.406 119.406 118.500 0.906 18901 10664 1 18 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.130 0.135 18901 10665 1 18 . 1 1 55 55 LYS C C 55 177.347 177.347 176.108 1.239 18901 10666 1 18 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.456 0.241 18901 10667 1 18 . 1 1 55 55 LYS CB C 55 33.246 33.246 32.596 0.650 18901 10668 1 18 . 1 1 55 55 LYS H H 55 8.315 8.315 8.398 -0.083 18901 10669 1 18 . 1 1 56 56 SER N N 56 114.624 114.624 120.309 -5.685 18901 10670 1 18 . 1 1 56 56 SER HA H 56 4.564 4.564 4.465 0.099 18901 10671 1 18 . 1 1 56 56 SER C C 56 175.285 175.285 173.982 1.303 18901 10672 1 18 . 1 1 56 56 SER CA C 56 60.090 60.090 59.482 0.608 18901 10673 1 18 . 1 1 56 56 SER CB C 56 63.305 63.305 62.329 0.976 18901 10674 1 18 . 1 1 56 56 SER H H 56 8.090 8.090 8.809 -0.719 18901 10675 1 18 . 1 1 57 57 SER N N 57 116.016 116.016 118.944 -2.928 18901 10676 1 18 . 1 1 57 57 SER HA H 57 4.455 4.455 4.650 -0.195 18901 10677 1 18 . 1 1 57 57 SER C C 57 174.988 174.988 173.859 1.129 18901 10678 1 18 . 1 1 57 57 SER CA C 57 58.332 58.332 58.509 -0.177 18901 10679 1 18 . 1 1 57 57 SER CB C 57 63.876 63.876 64.238 -0.362 18901 10680 1 18 . 1 1 57 57 SER H H 57 8.224 8.224 8.480 -0.256 18901 10681 1 18 . 1 1 58 58 THR N N 58 116.090 116.090 118.039 -1.949 18901 10682 1 18 . 1 1 58 58 THR HA H 58 4.602 4.602 4.215 0.387 18901 10683 1 18 . 1 1 58 58 THR CA C 58 59.935 59.935 62.783 -2.848 18901 10684 1 18 . 1 1 58 58 THR CB C 58 69.773 69.773 67.345 2.428 18901 10685 1 18 . 1 1 58 58 THR H H 58 7.939 7.939 7.824 0.115 18901 10686 1 18 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.446 -0.165 18901 10687 1 18 . 1 1 59 59 PRO C C 59 177.272 177.272 176.867 0.405 18901 10688 1 18 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.754 -0.678 18901 10689 1 18 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.069 0.709 18901 10690 1 18 . 1 1 60 60 ALA N N 60 122.319 122.319 123.831 -1.512 18901 10691 1 18 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.166 0.053 18901 10692 1 18 . 1 1 60 60 ALA C C 60 178.277 178.277 176.937 1.340 18901 10693 1 18 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.109 0.390 18901 10694 1 18 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.138 2.321 18901 10695 1 18 . 1 1 60 60 ALA H H 60 8.156 8.156 8.243 -0.087 18901 10696 1 18 . 1 1 61 61 GLN N N 61 117.680 117.680 117.989 -0.309 18901 10697 1 18 . 1 1 61 61 GLN HA H 61 4.278 4.278 3.925 0.353 18901 10698 1 18 . 1 1 61 61 GLN C C 61 176.148 176.148 174.847 1.301 18901 10699 1 18 . 1 1 61 61 GLN CA C 61 55.525 55.525 56.057 -0.532 18901 10700 1 18 . 1 1 61 61 GLN CB C 61 30.044 30.044 26.492 3.552 18901 10701 1 18 . 1 1 61 61 GLN H H 61 8.016 8.016 7.887 0.129 18901 10702 1 18 . 1 1 62 62 LEU N N 62 121.805 121.805 117.372 4.433 18901 10703 1 18 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.043 0.086 18901 10704 1 18 . 1 1 62 62 LEU C C 62 176.202 176.202 175.614 0.588 18901 10705 1 18 . 1 1 62 62 LEU CA C 62 54.574 54.574 54.997 -0.423 18901 10706 1 18 . 1 1 62 62 LEU CB C 62 43.290 43.290 41.684 1.606 18901 10707 1 18 . 1 1 62 62 LEU H H 62 7.968 7.968 7.913 0.055 18901 10708 1 18 . 1 1 63 63 ALA N N 63 124.947 124.947 121.575 3.372 18901 10709 1 18 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.668 -0.172 18901 10710 1 18 . 1 1 63 63 ALA C C 63 176.252 176.252 176.107 0.145 18901 10711 1 18 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.080 -0.282 18901 10712 1 18 . 1 1 63 63 ALA CB C 63 20.646 20.646 19.416 1.230 18901 10713 1 18 . 1 1 63 63 ALA H H 63 8.434 8.434 7.577 0.857 18901 10714 1 18 . 1 1 64 64 PHE N N 64 117.099 117.099 120.350 -3.251 18901 10715 1 18 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.144 -0.060 18901 10716 1 18 . 1 1 64 64 PHE C C 64 176.403 176.403 174.740 1.663 18901 10717 1 18 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.392 2.341 18901 10718 1 18 . 1 1 64 64 PHE CB C 64 42.810 42.810 43.160 -0.350 18901 10719 1 18 . 1 1 64 64 PHE H H 64 8.446 8.446 7.889 0.557 18901 10720 1 18 . 1 1 65 65 MET N N 65 120.470 120.470 121.565 -1.095 18901 10721 1 18 . 1 1 65 65 MET HA H 65 4.902 4.902 4.924 -0.022 18901 10722 1 18 . 1 1 65 65 MET CA C 65 53.984 53.984 54.105 -0.121 18901 10723 1 18 . 1 1 65 65 MET CB C 65 36.825 36.825 36.588 0.237 18901 10724 1 18 . 1 1 65 65 MET H H 65 9.050 9.050 9.218 -0.168 18901 10725 1 18 . 1 1 66 66 ARG N N 66 120.685 120.685 129.110 -8.425 18901 10726 1 18 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.902 -0.759 18901 10727 1 18 . 1 1 66 66 ARG C C 66 176.916 176.916 176.641 0.275 18901 10728 1 18 . 1 1 66 66 ARG CA C 66 57.962 57.962 55.825 2.138 18901 10729 1 18 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.007 3.065 18901 10730 1 18 . 1 1 66 66 ARG H H 66 7.540 7.540 8.950 -1.410 18901 10731 1 18 . 1 1 67 67 VAL N N 67 117.677 117.677 116.379 1.298 18901 10732 1 18 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.919 0.795 18901 10733 1 18 . 1 1 67 67 VAL C C 67 175.777 175.777 175.971 -0.194 18901 10734 1 18 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.548 -2.630 18901 10735 1 18 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.244 2.171 18901 10736 1 18 . 1 1 67 67 VAL H H 67 8.859 8.859 7.979 0.880 18901 10737 1 18 . 1 1 68 68 TYR N N 68 120.707 120.707 122.680 -1.973 18901 10738 1 18 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.337 0.440 18901 10739 1 18 . 1 1 68 68 TYR C C 68 173.712 173.712 175.322 -1.610 18901 10740 1 18 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.930 -1.625 18901 10741 1 18 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.060 4.996 18901 10742 1 18 . 1 1 68 68 TYR H H 68 7.539 7.539 7.588 -0.049 18901 10743 1 18 . 1 1 69 69 CYS N N 69 127.927 127.927 125.706 2.221 18901 10744 1 18 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.605 0.464 18901 10745 1 18 . 1 1 69 69 CYS C C 69 174.094 174.094 173.141 0.953 18901 10746 1 18 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.959 -1.770 18901 10747 1 18 . 1 1 69 69 CYS CB C 69 27.990 27.990 29.424 -1.435 18901 10748 1 18 . 1 1 69 69 CYS H H 69 7.601 7.601 8.292 -0.691 18901 10749 1 18 . 1 1 70 70 GLY N N 70 114.822 114.822 110.200 4.622 18901 10750 1 18 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.242 2.904 18901 10751 1 18 . 1 1 70 70 GLY H H 70 8.336 8.336 7.112 1.224 18901 10752 1 18 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.459 0.089 18901 10753 1 18 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.308 0.356 18901 10754 1 18 . 1 1 72 72 SER N N 72 112.451 112.451 115.805 -3.354 18901 10755 1 18 . 1 1 72 72 SER HA H 72 4.850 4.850 4.692 0.158 18901 10756 1 18 . 1 1 72 72 SER CA C 72 56.874 56.874 56.287 0.587 18901 10757 1 18 . 1 1 72 72 SER CB C 72 63.248 63.248 63.608 -0.360 18901 10758 1 18 . 1 1 72 72 SER H H 72 7.327 7.327 7.946 -0.619 18901 10759 1 18 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.807 -0.614 18901 10760 1 18 . 1 1 73 73 PRO CA C 73 63.555 63.555 64.080 -0.525 18901 10761 1 18 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.075 0.161 18901 10762 1 18 . 1 1 74 74 SER N N 74 111.450 111.450 115.082 -3.632 18901 10763 1 18 . 1 1 74 74 SER HA H 74 3.907 3.907 3.577 0.330 18901 10764 1 18 . 1 1 74 74 SER CA C 74 56.710 56.710 56.403 0.307 18901 10765 1 18 . 1 1 74 74 SER CB C 74 64.647 64.647 60.784 3.863 18901 10766 1 18 . 1 1 74 74 SER H H 74 6.909 6.909 7.734 -0.825 18901 10767 1 18 . 1 1 75 75 CYS N N 75 124.103 124.103 123.212 0.891 18901 10768 1 18 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.190 -0.631 18901 10769 1 18 . 1 1 75 75 CYS C C 75 171.568 171.568 175.296 -3.728 18901 10770 1 18 . 1 1 75 75 CYS CA C 75 62.200 62.200 60.216 1.984 18901 10771 1 18 . 1 1 75 75 CYS CB C 75 26.251 26.251 27.862 -1.611 18901 10772 1 18 . 1 1 75 75 CYS H H 75 6.017 6.017 7.989 -1.972 18901 10773 1 18 . 1 1 76 76 LEU N N 76 121.191 121.191 124.672 -3.481 18901 10774 1 18 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.258 0.565 18901 10775 1 18 . 1 1 76 76 LEU C C 76 176.786 176.786 175.182 1.604 18901 10776 1 18 . 1 1 76 76 LEU CA C 76 53.365 53.365 55.479 -2.114 18901 10777 1 18 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.312 1.914 18901 10778 1 18 . 1 1 76 76 LEU H H 76 8.015 8.015 8.023 -0.008 18901 10779 1 18 . 1 1 77 77 VAL N N 77 126.347 126.347 116.675 9.672 18901 10780 1 18 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.427 -0.175 18901 10781 1 18 . 1 1 77 77 VAL C C 77 175.529 175.529 174.613 0.916 18901 10782 1 18 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.087 0.564 18901 10783 1 18 . 1 1 77 77 VAL CB C 77 32.676 32.676 36.200 -3.524 18901 10784 1 18 . 1 1 77 77 VAL H H 77 9.084 9.084 7.663 1.421 18901 10785 1 18 . 1 1 78 78 GLN N N 78 124.566 124.566 122.788 1.778 18901 10786 1 18 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.583 -0.068 18901 10787 1 18 . 1 1 78 78 GLN C C 78 178.805 178.805 176.659 2.146 18901 10788 1 18 . 1 1 78 78 GLN CA C 78 56.916 56.916 54.593 2.323 18901 10789 1 18 . 1 1 78 78 GLN CB C 78 30.398 30.398 30.217 0.181 18901 10790 1 18 . 1 1 78 78 GLN H H 78 8.908 8.908 8.465 0.443 18901 10791 1 18 . 1 1 79 79 SER N N 79 116.974 116.974 117.189 -0.215 18901 10792 1 18 . 1 1 79 79 SER HA H 79 4.087 4.087 4.076 0.011 18901 10793 1 18 . 1 1 79 79 SER C C 79 177.179 177.179 176.325 0.854 18901 10794 1 18 . 1 1 79 79 SER CA C 79 62.454 62.454 62.704 -0.250 18901 10795 1 18 . 1 1 79 79 SER CB C 79 62.787 62.787 63.089 -0.302 18901 10796 1 18 . 1 1 79 79 SER H H 79 8.458 8.458 8.652 -0.194 18901 10797 1 18 . 1 1 80 80 SER N N 80 114.734 114.734 114.554 0.180 18901 10798 1 18 . 1 1 80 80 SER HA H 80 4.211 4.211 4.313 -0.102 18901 10799 1 18 . 1 1 80 80 SER C C 80 177.853 177.853 175.629 2.224 18901 10800 1 18 . 1 1 80 80 SER CA C 80 61.190 61.190 60.760 0.430 18901 10801 1 18 . 1 1 80 80 SER CB C 80 62.358 62.358 62.624 -0.266 18901 10802 1 18 . 1 1 80 80 SER H H 80 8.537 8.537 8.648 -0.111 18901 10803 1 18 . 1 1 81 81 SER N N 81 117.137 117.137 117.867 -0.730 18901 10804 1 18 . 1 1 81 81 SER HA H 81 4.455 4.455 4.332 0.123 18901 10805 1 18 . 1 1 81 81 SER C C 81 175.702 175.702 176.568 -0.866 18901 10806 1 18 . 1 1 81 81 SER CA C 81 61.433 61.433 61.596 -0.163 18901 10807 1 18 . 1 1 81 81 SER CB C 81 63.130 63.130 63.640 -0.510 18901 10808 1 18 . 1 1 81 81 SER H H 81 7.514 7.514 7.701 -0.187 18901 10809 1 18 . 1 1 82 82 LEU N N 82 117.548 117.548 123.541 -5.993 18901 10810 1 18 . 1 1 82 82 LEU HA H 82 4.033 4.033 3.979 0.054 18901 10811 1 18 . 1 1 82 82 LEU C C 82 179.445 179.445 178.991 0.454 18901 10812 1 18 . 1 1 82 82 LEU CA C 82 56.702 56.702 58.175 -1.473 18901 10813 1 18 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.513 0.275 18901 10814 1 18 . 1 1 82 82 LEU H H 82 7.629 7.629 8.316 -0.687 18901 10815 1 18 . 1 1 83 83 SER N N 83 113.258 113.258 116.123 -2.865 18901 10816 1 18 . 1 1 83 83 SER HA H 83 4.214 4.214 4.101 0.113 18901 10817 1 18 . 1 1 83 83 SER C C 83 175.256 175.256 176.200 -0.944 18901 10818 1 18 . 1 1 83 83 SER CA C 83 61.192 61.192 62.166 -0.974 18901 10819 1 18 . 1 1 83 83 SER CB C 83 63.544 63.544 62.580 0.964 18901 10820 1 18 . 1 1 83 83 SER H H 83 7.805 7.805 8.541 -0.736 18901 10821 1 18 . 1 1 84 84 ASN N N 84 116.565 116.565 117.400 -0.835 18901 10822 1 18 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.827 0.095 18901 10823 1 18 . 1 1 84 84 ASN C C 84 175.063 175.063 173.950 1.113 18901 10824 1 18 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.808 -1.136 18901 10825 1 18 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.485 0.206 18901 10826 1 18 . 1 1 84 84 ASN H H 84 7.612 7.612 8.202 -0.590 18901 10827 1 18 . 1 1 85 85 ALA N N 85 119.819 119.819 123.101 -3.282 18901 10828 1 18 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.666 -0.417 18901 10829 1 18 . 1 1 85 85 ALA C C 85 178.113 178.113 177.122 0.991 18901 10830 1 18 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.860 1.205 18901 10831 1 18 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.302 0.517 18901 10832 1 18 . 1 1 85 85 ALA H H 85 7.558 7.558 7.498 0.060 18901 10833 1 18 . 1 1 86 86 HIS N N 86 118.388 118.388 125.481 -7.093 18901 10834 1 18 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.702 -0.297 18901 10835 1 18 . 1 1 86 86 HIS C C 86 175.333 175.333 175.349 -0.016 18901 10836 1 18 . 1 1 86 86 HIS CA C 86 55.619 55.619 56.015 -0.396 18901 10837 1 18 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.875 -1.677 18901 10838 1 18 . 1 1 86 86 HIS H H 86 8.280 8.280 8.332 -0.052 18901 10839 1 18 . 1 1 87 87 ILE N N 87 126.618 126.618 126.705 -0.087 18901 10840 1 18 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.314 -0.259 18901 10841 1 18 . 1 1 87 87 ILE C C 87 174.718 174.718 176.155 -1.437 18901 10842 1 18 . 1 1 87 87 ILE CA C 87 59.427 59.427 58.947 0.480 18901 10843 1 18 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.739 -0.297 18901 10844 1 18 . 1 1 87 87 ILE H H 87 7.873 7.873 8.458 -0.585 18901 10845 1 18 . 1 1 88 88 ASP N N 88 124.684 124.684 125.993 -1.309 18901 10846 1 18 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.575 -0.063 18901 10847 1 18 . 1 1 88 88 ASP C C 88 176.506 176.506 175.620 0.886 18901 10848 1 18 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.524 -1.287 18901 10849 1 18 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.523 2.239 18901 10850 1 18 . 1 1 88 88 ASP H H 88 8.572 8.572 8.758 -0.186 18901 10851 1 18 . 1 1 89 89 TYR N N 89 122.959 122.959 126.227 -3.268 18901 10852 1 18 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.669 -0.290 18901 10853 1 18 . 1 1 89 89 TYR C C 89 176.631 176.631 175.235 1.396 18901 10854 1 18 . 1 1 89 89 TYR CA C 89 58.629 58.629 58.310 0.319 18901 10855 1 18 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.670 -0.208 18901 10856 1 18 . 1 1 89 89 TYR H H 89 8.533 8.533 8.675 -0.142 18901 10857 1 18 . 1 1 90 90 THR N N 90 115.232 115.232 111.700 3.532 18901 10858 1 18 . 1 1 90 90 THR HA H 90 3.974 3.974 4.634 -0.660 18901 10859 1 18 . 1 1 90 90 THR C C 90 176.298 176.298 175.119 1.179 18901 10860 1 18 . 1 1 90 90 THR CA C 90 65.610 65.610 61.593 4.017 18901 10861 1 18 . 1 1 90 90 THR CB C 90 68.758 68.758 70.830 -2.072 18901 10862 1 18 . 1 1 90 90 THR H H 90 8.024 8.024 8.453 -0.429 18901 10863 1 18 . 1 1 91 91 THR N N 91 112.253 112.253 114.599 -2.346 18901 10864 1 18 . 1 1 91 91 THR HA H 91 4.290 4.290 4.473 -0.183 18901 10865 1 18 . 1 1 91 91 THR C C 91 174.644 174.644 173.804 0.840 18901 10866 1 18 . 1 1 91 91 THR CA C 91 61.288 61.288 62.453 -1.165 18901 10867 1 18 . 1 1 91 91 THR CB C 91 69.418 69.418 71.072 -1.654 18901 10868 1 18 . 1 1 91 91 THR H H 91 8.013 8.013 8.257 -0.244 18901 10869 1 18 . 1 1 92 92 LYS N N 92 121.833 121.833 120.566 1.267 18901 10870 1 18 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.669 -0.210 18901 10871 1 18 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.588 0.844 18901 10872 1 18 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.566 -6.143 18901 10873 1 18 . 1 1 92 92 LYS H H 92 7.883 7.883 8.052 -0.169 18901 10874 1 18 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.552 -0.341 18901 10875 1 18 . 1 1 93 93 PRO C C 93 176.775 176.775 175.559 1.216 18901 10876 1 18 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.990 0.395 18901 10877 1 18 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.366 0.848 18901 10878 1 18 . 1 1 94 94 ALA N N 94 122.487 122.487 125.548 -3.061 18901 10879 1 18 . 1 1 94 94 ALA HA H 94 4.865 4.865 5.047 -0.182 18901 10880 1 18 . 1 1 94 94 ALA C C 94 175.790 175.790 175.464 0.326 18901 10881 1 18 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.349 0.662 18901 10882 1 18 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.620 0.220 18901 10883 1 18 . 1 1 94 94 ALA H H 94 8.072 8.072 7.739 0.333 18901 10884 1 18 . 1 1 95 95 ILE N N 95 120.526 120.526 120.087 0.439 18901 10885 1 18 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.354 -0.063 18901 10886 1 18 . 1 1 95 95 ILE C C 95 175.063 175.063 174.785 0.278 18901 10887 1 18 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.733 -0.303 18901 10888 1 18 . 1 1 95 95 ILE CB C 95 40.656 40.656 40.194 0.462 18901 10889 1 18 . 1 1 95 95 ILE H H 95 8.099 8.099 8.194 -0.095 18901 10890 1 18 . 1 1 96 96 ILE N N 96 126.053 126.053 124.915 1.138 18901 10891 1 18 . 1 1 96 96 ILE HA H 96 4.954 4.954 5.186 -0.232 18901 10892 1 18 . 1 1 96 96 ILE C C 96 175.609 175.609 174.600 1.009 18901 10893 1 18 . 1 1 96 96 ILE CA C 96 60.290 60.290 58.661 1.629 18901 10894 1 18 . 1 1 96 96 ILE CB C 96 39.899 39.899 38.714 1.185 18901 10895 1 18 . 1 1 96 96 ILE H H 96 9.393 9.393 8.640 0.753 18901 10896 1 18 . 1 1 97 97 PHE N N 97 120.455 120.455 125.877 -5.422 18901 10897 1 18 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.092 0.925 18901 10898 1 18 . 1 1 97 97 PHE C C 97 177.044 177.044 174.715 2.329 18901 10899 1 18 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.296 -0.527 18901 10900 1 18 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.916 0.770 18901 10901 1 18 . 1 1 97 97 PHE H H 97 8.626 8.626 8.897 -0.271 18901 10902 1 18 . 1 1 98 98 ARG N N 98 117.253 117.253 122.567 -5.314 18901 10903 1 18 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.910 0.531 18901 10904 1 18 . 1 1 98 98 ARG C C 98 176.125 176.125 174.626 1.499 18901 10905 1 18 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.597 0.366 18901 10906 1 18 . 1 1 98 98 ARG CB C 98 35.621 35.621 31.258 4.363 18901 10907 1 18 . 1 1 98 98 ARG H H 98 9.041 9.041 8.897 0.144 18901 10908 1 18 . 1 1 99 99 ILE N N 99 120.894 120.894 124.220 -3.326 18901 10909 1 18 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.428 0.591 18901 10910 1 18 . 1 1 99 99 ILE C C 99 174.486 174.486 174.264 0.222 18901 10911 1 18 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.045 0.889 18901 10912 1 18 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.093 1.322 18901 10913 1 18 . 1 1 99 99 ILE H H 99 8.499 8.499 8.616 -0.117 18901 10914 1 18 . 1 1 100 100 ALA N N 100 127.368 127.368 126.959 0.409 18901 10915 1 18 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.599 0.289 18901 10916 1 18 . 1 1 100 100 ALA C C 100 175.044 175.044 174.705 0.339 18901 10917 1 18 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.178 1.178 18901 10918 1 18 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.482 2.108 18901 10919 1 18 . 1 1 100 100 ALA H H 100 8.779 8.779 8.423 0.356 18901 10920 1 18 . 1 1 101 101 ALA N N 101 123.472 123.472 123.889 -0.417 18901 10921 1 18 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.971 2.147 18901 10922 1 18 . 1 1 101 101 ALA C C 101 174.314 174.314 176.555 -2.241 18901 10923 1 18 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.106 -0.538 18901 10924 1 18 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.681 5.940 18901 10925 1 18 . 1 1 101 101 ALA H H 101 9.955 9.955 8.218 1.737 18901 10926 1 18 . 1 1 102 102 ARG N N 102 119.295 119.295 125.265 -5.970 18901 10927 1 18 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.187 0.404 18901 10928 1 18 . 1 1 102 102 ARG C C 102 176.649 176.649 174.701 1.948 18901 10929 1 18 . 1 1 102 102 ARG CA C 102 54.071 54.071 55.114 -1.044 18901 10930 1 18 . 1 1 102 102 ARG CB C 102 33.170 33.170 30.050 3.119 18901 10931 1 18 . 1 1 102 102 ARG H H 102 8.474 8.474 8.000 0.474 18901 10932 1 18 . 1 1 103 103 ASN N N 103 124.198 124.198 123.171 1.027 18901 10933 1 18 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.272 0.182 18901 10934 1 18 . 1 1 103 103 ASN C C 103 176.327 176.327 175.009 1.318 18901 10935 1 18 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.136 0.168 18901 10936 1 18 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.520 -0.861 18901 10937 1 18 . 1 1 103 103 ASN H H 103 7.816 7.816 8.170 -0.354 18901 10938 1 18 . 1 1 104 104 GLU N N 104 115.270 115.270 119.559 -4.289 18901 10939 1 18 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.041 -0.188 18901 10940 1 18 . 1 1 104 104 GLU C C 104 177.716 177.716 176.922 0.794 18901 10941 1 18 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.483 1.422 18901 10942 1 18 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.602 -0.438 18901 10943 1 18 . 1 1 104 104 GLU H H 104 9.416 9.416 8.417 0.999 18901 10944 1 18 . 1 1 105 105 LYS N N 105 116.576 116.576 116.062 0.514 18901 10945 1 18 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.257 0.005 18901 10946 1 18 . 1 1 105 105 LYS C C 105 177.667 177.667 177.261 0.406 18901 10947 1 18 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.528 0.527 18901 10948 1 18 . 1 1 105 105 LYS CB C 105 33.051 33.051 33.133 -0.082 18901 10949 1 18 . 1 1 105 105 LYS H H 105 7.737 7.737 8.073 -0.336 18901 10950 1 18 . 1 1 106 106 GLY N N 106 104.067 104.067 107.553 -3.486 18901 10951 1 18 . 1 1 106 106 GLY C C 106 172.796 172.796 174.548 -1.752 18901 10952 1 18 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.414 1.502 18901 10953 1 18 . 1 1 106 106 GLY H H 106 7.906 7.906 8.182 -0.276 18901 10954 1 18 . 1 1 107 107 TYR N N 107 117.296 117.296 122.138 -4.842 18901 10955 1 18 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.487 0.262 18901 10956 1 18 . 1 1 107 107 TYR C C 107 178.772 178.772 176.458 2.314 18901 10957 1 18 . 1 1 107 107 TYR CA C 107 59.800 59.800 57.313 2.487 18901 10958 1 18 . 1 1 107 107 TYR CB C 107 40.566 40.566 35.705 4.861 18901 10959 1 18 . 1 1 107 107 TYR H H 107 8.378 8.378 8.484 -0.106 18901 10960 1 18 . 1 1 108 108 GLY N N 108 107.379 107.379 110.444 -3.065 18901 10961 1 18 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.786 -0.524 18901 10962 1 18 . 1 1 108 108 GLY H H 108 8.651 8.651 8.159 0.492 18901 10963 1 18 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.076 -0.131 18901 10964 1 18 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.594 0.277 18901 10965 1 18 . 1 1 110 110 ALA C C 110 179.404 179.404 176.451 2.953 18901 10966 1 18 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.984 -0.716 18901 10967 1 18 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.034 -1.919 18901 10968 1 18 . 1 1 111 111 THR N N 111 118.432 118.432 114.097 4.335 18901 10969 1 18 . 1 1 111 111 THR HA H 111 4.396 4.396 4.352 0.044 18901 10970 1 18 . 1 1 111 111 THR C C 111 173.449 173.449 173.869 -0.420 18901 10971 1 18 . 1 1 111 111 THR CA C 111 61.721 61.721 61.464 0.257 18901 10972 1 18 . 1 1 111 111 THR CB C 111 69.967 69.967 70.480 -0.512 18901 10973 1 18 . 1 1 111 111 THR H H 111 8.810 8.810 8.256 0.554 18901 10974 1 18 . 1 1 112 112 GLN N N 112 127.590 127.590 123.319 4.271 18901 10975 1 18 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.917 0.420 18901 10976 1 18 . 1 1 112 112 GLN C C 112 175.442 175.442 174.172 1.270 18901 10977 1 18 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.814 -0.011 18901 10978 1 18 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.558 2.195 18901 10979 1 18 . 1 1 112 112 GLN H H 112 8.698 8.698 8.542 0.156 18901 10980 1 18 . 1 1 113 113 VAL N N 113 123.646 123.646 119.129 4.517 18901 10981 1 18 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.353 0.221 18901 10982 1 18 . 1 1 113 113 VAL C C 113 173.891 173.891 174.357 -0.466 18901 10983 1 18 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.949 -0.665 18901 10984 1 18 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.885 2.179 18901 10985 1 18 . 1 1 113 113 VAL H H 113 9.101 9.101 8.000 1.101 18901 10986 1 18 . 1 1 114 114 ARG N N 114 122.944 122.944 121.449 1.495 18901 10987 1 18 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.042 -0.109 18901 10988 1 18 . 1 1 114 114 ARG C C 114 175.683 175.683 175.678 0.005 18901 10989 1 18 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.511 0.238 18901 10990 1 18 . 1 1 114 114 ARG CB C 114 32.053 32.053 31.421 0.632 18901 10991 1 18 . 1 1 114 114 ARG H H 114 8.434 8.434 8.233 0.201 18901 10992 1 18 . 1 1 115 115 TRP N N 115 126.067 126.067 128.826 -2.759 18901 10993 1 18 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.717 0.540 18901 10994 1 18 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.792 -1.272 18901 10995 1 18 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.468 1.579 18901 10996 1 18 . 1 1 115 115 TRP H H 115 9.944 9.944 9.450 0.494 18901 10997 1 18 . 1 1 116 116 LEU N N 116 130.031 130.031 128.424 1.607 18901 10998 1 18 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.355 -0.092 18901 10999 1 18 . 1 1 116 116 LEU CA C 116 55.697 55.697 55.315 0.382 18901 11000 1 18 . 1 1 116 116 LEU CB C 116 41.727 41.727 40.053 1.674 18901 11001 1 18 . 1 1 116 116 LEU H H 116 8.722 8.722 8.381 0.341 18901 11002 1 18 . 1 1 117 117 GLN N N 117 124.737 124.737 118.209 6.528 18901 11003 1 18 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.422 -0.374 18901 11004 1 18 . 1 1 117 117 GLN CA C 117 57.436 57.436 54.899 2.537 18901 11005 1 18 . 1 1 117 117 GLN CB C 117 31.668 31.668 30.391 1.277 18901 11006 1 18 . 1 1 117 117 GLN H H 117 7.453 7.453 7.728 -0.275 18901 11007 1 18 . 1 1 118 118 GLU N N 118 118.531 118.531 117.505 1.026 18901 11008 1 18 . 1 1 118 118 GLU HA H 118 3.395 3.395 4.426 -1.031 18901 11009 1 18 . 1 1 118 118 GLU CA C 118 54.682 54.682 55.007 -0.325 18901 11010 1 18 . 1 1 118 118 GLU CB C 118 29.372 29.372 31.977 -2.605 18901 11011 1 18 . 1 1 118 118 GLU H H 118 7.891 7.891 7.319 0.572 18901 11012 1 18 . 1 1 119 119 THR N N 119 121.831 121.831 111.761 10.070 18901 11013 1 18 . 1 1 119 119 THR HA H 119 4.267 4.267 4.533 -0.266 18901 11014 1 18 . 1 1 119 119 THR CA C 119 55.604 55.604 61.403 -5.799 18901 11015 1 18 . 1 1 119 119 THR CB C 119 69.285 69.285 70.525 -1.240 18901 11016 1 18 . 1 1 119 119 THR H H 119 7.892 7.892 8.061 -0.169 18901 11017 1 19 . 1 1 6 6 PHE N N 6 117.872 117.872 118.370 -0.498 18901 11018 1 19 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.803 -0.013 18901 11019 1 19 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.798 1.228 18901 11020 1 19 . 1 1 6 6 PHE CB C 6 38.260 38.260 40.941 -2.681 18901 11021 1 19 . 1 1 6 6 PHE H H 6 7.818 7.818 7.699 0.119 18901 11022 1 19 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.768 -59.582 18901 11023 1 19 . 1 1 8 8 GLY N N 8 101.657 101.657 107.260 -5.603 18901 11024 1 19 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.713 -0.537 18901 11025 1 19 . 1 1 8 8 GLY H H 8 7.927 7.927 8.056 -0.129 18901 11026 1 19 . 1 1 9 9 ALA N N 9 120.767 120.767 121.226 -0.459 18901 11027 1 19 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.968 -0.103 18901 11028 1 19 . 1 1 9 9 ALA CA C 9 50.198 50.198 48.920 1.278 18901 11029 1 19 . 1 1 9 9 ALA CB C 9 18.937 18.937 20.074 -1.137 18901 11030 1 19 . 1 1 9 9 ALA H H 9 8.235 8.235 8.484 -0.249 18901 11031 1 19 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.590 -0.233 18901 11032 1 19 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.784 0.528 18901 11033 1 19 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.254 0.557 18901 11034 1 19 . 1 1 11 11 CYS N N 11 114.905 114.905 119.036 -4.131 18901 11035 1 19 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.567 0.371 18901 11036 1 19 . 1 1 11 11 CYS C C 11 172.706 172.706 174.285 -1.579 18901 11037 1 19 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.885 -1.047 18901 11038 1 19 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.175 0.964 18901 11039 1 19 . 1 1 11 11 CYS H H 11 8.084 8.084 8.194 -0.110 18901 11040 1 19 . 1 1 12 12 ALA N N 12 120.844 120.844 122.384 -1.540 18901 11041 1 19 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.028 -0.101 18901 11042 1 19 . 1 1 12 12 ALA C C 12 176.005 176.005 176.796 -0.791 18901 11043 1 19 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.170 -0.406 18901 11044 1 19 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.645 -0.049 18901 11045 1 19 . 1 1 12 12 ALA H H 12 8.535 8.535 8.479 0.056 18901 11046 1 19 . 1 1 13 13 ILE N N 13 116.800 116.800 118.516 -1.716 18901 11047 1 19 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.476 -0.023 18901 11048 1 19 . 1 1 13 13 ILE C C 13 177.506 177.506 176.337 1.169 18901 11049 1 19 . 1 1 13 13 ILE CA C 13 62.335 62.335 61.790 0.545 18901 11050 1 19 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.399 -0.531 18901 11051 1 19 . 1 1 13 13 ILE H H 13 7.802 7.802 7.932 -0.130 18901 11052 1 19 . 1 1 14 14 LYS N N 14 129.030 129.030 127.525 1.505 18901 11053 1 19 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.691 -0.094 18901 11054 1 19 . 1 1 14 14 LYS C C 14 175.508 175.508 174.619 0.889 18901 11055 1 19 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.778 0.774 18901 11056 1 19 . 1 1 14 14 LYS CB C 14 35.288 35.288 36.430 -1.142 18901 11057 1 19 . 1 1 14 14 LYS H H 14 9.249 9.249 8.313 0.936 18901 11058 1 19 . 1 1 15 15 ILE N N 15 121.333 121.333 120.678 0.655 18901 11059 1 19 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.898 -0.314 18901 11060 1 19 . 1 1 15 15 ILE C C 15 175.983 175.983 175.494 0.489 18901 11061 1 19 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.652 1.156 18901 11062 1 19 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.178 -0.558 18901 11063 1 19 . 1 1 15 15 ILE H H 15 8.231 8.231 8.312 -0.081 18901 11064 1 19 . 1 1 16 16 SER N N 16 120.251 120.251 119.376 0.875 18901 11065 1 19 . 1 1 16 16 SER HA H 16 4.933 4.933 4.811 0.122 18901 11066 1 19 . 1 1 16 16 SER C C 16 173.725 173.725 172.639 1.086 18901 11067 1 19 . 1 1 16 16 SER CA C 16 56.656 56.656 56.960 -0.304 18901 11068 1 19 . 1 1 16 16 SER CB C 16 65.750 65.750 65.583 0.167 18901 11069 1 19 . 1 1 16 16 SER H H 16 8.694 8.694 8.759 -0.065 18901 11070 1 19 . 1 1 17 17 LYS N N 17 124.155 124.155 124.827 -0.672 18901 11071 1 19 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.442 0.218 18901 11072 1 19 . 1 1 17 17 LYS C C 17 175.815 175.815 175.883 -0.068 18901 11073 1 19 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.706 0.569 18901 11074 1 19 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.241 1.325 18901 11075 1 19 . 1 1 17 17 LYS H H 17 8.985 8.985 8.800 0.185 18901 11076 1 19 . 1 1 18 18 SER N N 18 121.663 121.663 120.376 1.287 18901 11077 1 19 . 1 1 18 18 SER HA H 18 5.076 5.076 4.926 0.150 18901 11078 1 19 . 1 1 18 18 SER CA C 18 56.676 56.676 55.380 1.296 18901 11079 1 19 . 1 1 18 18 SER CB C 18 64.993 64.993 65.349 -0.356 18901 11080 1 19 . 1 1 18 18 SER H H 18 8.555 8.555 8.479 0.076 18901 11081 1 19 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.499 -0.165 18901 11082 1 19 . 1 1 19 19 PRO C C 19 177.406 177.406 176.974 0.432 18901 11083 1 19 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.345 1.144 18901 11084 1 19 . 1 1 19 19 PRO CB C 19 32.065 32.065 32.203 -0.138 18901 11085 1 19 . 1 1 20 20 ASP N N 20 110.573 110.573 117.177 -6.604 18901 11086 1 19 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.666 0.013 18901 11087 1 19 . 1 1 20 20 ASP C C 20 176.667 176.667 176.086 0.581 18901 11088 1 19 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.940 -1.382 18901 11089 1 19 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.574 -0.151 18901 11090 1 19 . 1 1 20 20 ASP H H 20 8.019 8.019 8.415 -0.396 18901 11091 1 19 . 1 1 21 21 GLY N N 21 107.592 107.592 104.395 3.197 18901 11092 1 19 . 1 1 21 21 GLY C C 21 172.365 172.365 171.798 0.567 18901 11093 1 19 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.266 0.464 18901 11094 1 19 . 1 1 21 21 GLY H H 21 7.623 7.623 7.675 -0.052 18901 11095 1 19 . 1 1 22 22 ALA N N 22 123.764 123.764 122.910 0.854 18901 11096 1 19 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.222 -0.435 18901 11097 1 19 . 1 1 22 22 ALA C C 22 175.801 175.801 176.853 -1.052 18901 11098 1 19 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.045 0.734 18901 11099 1 19 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.104 0.030 18901 11100 1 19 . 1 1 22 22 ALA H H 22 8.704 8.704 8.174 0.530 18901 11101 1 19 . 1 1 23 23 HIS N N 23 120.666 120.666 123.654 -2.988 18901 11102 1 19 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.284 0.697 18901 11103 1 19 . 1 1 23 23 HIS C C 23 174.199 174.199 174.007 0.192 18901 11104 1 19 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.457 -2.190 18901 11105 1 19 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.226 -0.237 18901 11106 1 19 . 1 1 23 23 HIS H H 23 9.088 9.088 8.922 0.166 18901 11107 1 19 . 1 1 24 24 LEU N N 24 127.467 127.467 125.430 2.037 18901 11108 1 19 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.865 0.315 18901 11109 1 19 . 1 1 24 24 LEU C C 24 176.430 176.430 175.947 0.483 18901 11110 1 19 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.398 2.130 18901 11111 1 19 . 1 1 24 24 LEU CB C 24 44.957 44.957 44.638 0.319 18901 11112 1 19 . 1 1 24 24 LEU H H 24 8.702 8.702 7.756 0.946 18901 11113 1 19 . 1 1 25 25 THR N N 25 111.459 111.459 114.958 -3.499 18901 11114 1 19 . 1 1 25 25 THR HA H 25 4.186 4.186 3.696 0.490 18901 11115 1 19 . 1 1 25 25 THR C C 25 172.720 172.720 172.176 0.544 18901 11116 1 19 . 1 1 25 25 THR CA C 25 60.798 60.798 59.812 0.986 18901 11117 1 19 . 1 1 25 25 THR CB C 25 72.021 72.021 70.650 1.371 18901 11118 1 19 . 1 1 25 25 THR H H 25 8.643 8.643 8.666 -0.023 18901 11119 1 19 . 1 1 26 26 TRP N N 26 117.073 117.073 119.212 -2.139 18901 11120 1 19 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.208 -0.175 18901 11121 1 19 . 1 1 26 26 TRP C C 26 173.425 173.425 173.839 -0.414 18901 11122 1 19 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.747 -0.060 18901 11123 1 19 . 1 1 26 26 TRP CB C 26 30.157 30.157 30.243 -0.086 18901 11124 1 19 . 1 1 26 26 TRP H H 26 7.301 7.301 7.847 -0.546 18901 11125 1 19 . 1 1 27 27 GLU N N 27 115.563 115.563 119.842 -4.279 18901 11126 1 19 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.952 -0.130 18901 11127 1 19 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.098 -0.209 18901 11128 1 19 . 1 1 27 27 GLU CB C 27 30.830 30.830 31.835 -1.005 18901 11129 1 19 . 1 1 27 27 GLU H H 27 8.753 8.753 8.699 0.054 18901 11130 1 19 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.974 -0.635 18901 11131 1 19 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.906 3.641 18901 11132 1 19 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.170 0.971 18901 11133 1 19 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.461 -0.176 18901 11134 1 19 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.787 -1.807 18901 11135 1 19 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.018 0.866 18901 11136 1 19 . 1 1 30 30 SER N N 30 110.838 110.838 112.716 -1.878 18901 11137 1 19 . 1 1 30 30 SER HA H 30 3.910 3.910 4.654 -0.744 18901 11138 1 19 . 1 1 30 30 SER CA C 30 56.967 56.967 56.902 0.065 18901 11139 1 19 . 1 1 30 30 SER CB C 30 64.771 64.771 66.538 -1.767 18901 11140 1 19 . 1 1 30 30 SER H H 30 8.317 8.317 7.452 0.865 18901 11141 1 19 . 1 1 31 31 VAL N N 31 114.209 114.209 119.865 -5.656 18901 11142 1 19 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.066 0.141 18901 11143 1 19 . 1 1 31 31 VAL CA C 31 61.780 61.780 64.258 -2.478 18901 11144 1 19 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.271 1.500 18901 11145 1 19 . 1 1 31 31 VAL H H 31 8.320 8.320 8.503 -0.183 18901 11146 1 19 . 1 1 32 32 THR N N 32 119.600 119.600 115.110 4.490 18901 11147 1 19 . 1 1 32 32 THR HA H 32 4.179 4.179 4.350 -0.171 18901 11148 1 19 . 1 1 32 32 THR CA C 32 60.465 60.465 61.886 -1.421 18901 11149 1 19 . 1 1 32 32 THR CB C 32 63.211 63.211 70.350 -7.139 18901 11150 1 19 . 1 1 32 32 THR H H 32 7.828 7.828 7.780 0.048 18901 11151 1 19 . 1 1 33 33 SER N N 33 115.967 115.967 118.568 -2.601 18901 11152 1 19 . 1 1 33 33 SER HA H 33 4.179 4.179 4.250 -0.071 18901 11153 1 19 . 1 1 33 33 SER C C 33 174.332 174.332 175.339 -1.007 18901 11154 1 19 . 1 1 33 33 SER CA C 33 60.428 60.428 60.134 0.294 18901 11155 1 19 . 1 1 33 33 SER CB C 33 62.209 62.209 63.539 -1.330 18901 11156 1 19 . 1 1 33 33 SER H H 33 8.292 8.292 8.449 -0.157 18901 11157 1 19 . 1 1 34 34 GLY N N 34 106.879 106.879 109.226 -2.347 18901 11158 1 19 . 1 1 34 34 GLY C C 34 173.709 173.709 174.018 -0.309 18901 11159 1 19 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.955 -0.584 18901 11160 1 19 . 1 1 34 34 GLY H H 34 7.848 7.848 8.405 -0.557 18901 11161 1 19 . 1 1 35 35 LYS N N 35 122.205 122.205 120.843 1.362 18901 11162 1 19 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.563 -0.253 18901 11163 1 19 . 1 1 35 35 LYS C C 35 176.262 176.262 175.637 0.625 18901 11164 1 19 . 1 1 35 35 LYS CA C 35 55.671 55.671 54.788 0.883 18901 11165 1 19 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.435 1.812 18901 11166 1 19 . 1 1 35 35 LYS H H 35 8.628 8.628 8.535 0.093 18901 11167 1 19 . 1 1 36 36 ILE N N 36 120.178 120.178 120.606 -0.428 18901 11168 1 19 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.047 0.074 18901 11169 1 19 . 1 1 36 36 ILE C C 36 177.751 177.751 177.267 0.484 18901 11170 1 19 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.314 -3.393 18901 11171 1 19 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.430 -3.118 18901 11172 1 19 . 1 1 36 36 ILE H H 36 8.344 8.344 7.923 0.421 18901 11173 1 19 . 1 1 37 37 ILE N N 37 122.285 122.285 121.087 1.198 18901 11174 1 19 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.667 -0.450 18901 11175 1 19 . 1 1 37 37 ILE C C 37 176.085 176.085 175.903 0.182 18901 11176 1 19 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.077 -0.135 18901 11177 1 19 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.342 -0.543 18901 11178 1 19 . 1 1 37 37 ILE H H 37 8.460 8.460 9.035 -0.575 18901 11179 1 19 . 1 1 38 38 GLU N N 38 116.489 116.489 117.715 -1.226 18901 11180 1 19 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.813 -0.644 18901 11181 1 19 . 1 1 38 38 GLU C C 38 171.864 171.864 174.341 -2.477 18901 11182 1 19 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.594 0.382 18901 11183 1 19 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.636 0.844 18901 11184 1 19 . 1 1 38 38 GLU H H 38 7.143 7.143 7.971 -0.828 18901 11185 1 19 . 1 1 39 39 TYR N N 39 118.418 118.418 117.804 0.614 18901 11186 1 19 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.043 0.652 18901 11187 1 19 . 1 1 39 39 TYR C C 39 176.190 176.190 174.215 1.975 18901 11188 1 19 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.350 -0.439 18901 11189 1 19 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.219 0.517 18901 11190 1 19 . 1 1 39 39 TYR H H 39 8.860 8.860 8.713 0.147 18901 11191 1 19 . 1 1 40 40 SER N N 40 111.613 111.613 112.766 -1.153 18901 11192 1 19 . 1 1 40 40 SER HA H 40 5.497 5.497 3.896 1.601 18901 11193 1 19 . 1 1 40 40 SER C C 40 172.888 172.888 171.832 1.056 18901 11194 1 19 . 1 1 40 40 SER CA C 40 58.729 58.729 56.565 2.164 18901 11195 1 19 . 1 1 40 40 SER CB C 40 69.596 69.596 65.182 4.414 18901 11196 1 19 . 1 1 40 40 SER H H 40 8.705 8.705 8.357 0.348 18901 11197 1 19 . 1 1 41 41 VAL N N 41 119.202 119.202 120.747 -1.545 18901 11198 1 19 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.741 0.095 18901 11199 1 19 . 1 1 41 41 VAL C C 41 175.106 175.106 174.215 0.891 18901 11200 1 19 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.282 -0.616 18901 11201 1 19 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.466 0.225 18901 11202 1 19 . 1 1 41 41 VAL H H 41 8.428 8.428 7.696 0.732 18901 11203 1 19 . 1 1 42 42 TYR N N 42 124.792 124.792 125.427 -0.635 18901 11204 1 19 . 1 1 42 42 TYR HA H 42 5.496 5.496 4.847 0.649 18901 11205 1 19 . 1 1 42 42 TYR C C 42 174.659 174.659 173.926 0.733 18901 11206 1 19 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.963 -1.203 18901 11207 1 19 . 1 1 42 42 TYR CB C 42 42.396 42.396 40.896 1.500 18901 11208 1 19 . 1 1 42 42 TYR H H 42 9.773 9.773 8.962 0.811 18901 11209 1 19 . 1 1 43 43 LEU N N 43 123.210 123.210 120.556 2.654 18901 11210 1 19 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.777 0.476 18901 11211 1 19 . 1 1 43 43 LEU C C 43 176.296 176.296 174.725 1.571 18901 11212 1 19 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.798 -0.452 18901 11213 1 19 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.963 1.586 18901 11214 1 19 . 1 1 43 43 LEU H H 43 9.368 9.368 8.301 1.067 18901 11215 1 19 . 1 1 44 44 ALA N N 44 127.556 127.556 126.811 0.745 18901 11216 1 19 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.849 -0.525 18901 11217 1 19 . 1 1 44 44 ALA C C 44 178.318 178.318 176.556 1.762 18901 11218 1 19 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.280 -0.536 18901 11219 1 19 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.703 -1.054 18901 11220 1 19 . 1 1 44 44 ALA H H 44 8.366 8.366 7.913 0.453 18901 11221 1 19 . 1 1 45 45 ILE N N 45 119.672 119.672 117.212 2.460 18901 11222 1 19 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.149 -0.406 18901 11223 1 19 . 1 1 45 45 ILE C C 45 175.937 175.937 174.680 1.257 18901 11224 1 19 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.492 0.628 18901 11225 1 19 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.870 -0.081 18901 11226 1 19 . 1 1 45 45 ILE H H 45 8.599 8.599 8.439 0.160 18901 11227 1 19 . 1 1 46 46 GLN N N 46 120.248 120.248 118.968 1.280 18901 11228 1 19 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.653 -0.246 18901 11229 1 19 . 1 1 46 46 GLN C C 46 176.355 176.355 174.684 1.671 18901 11230 1 19 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.335 -0.521 18901 11231 1 19 . 1 1 46 46 GLN CB C 46 29.840 29.840 29.220 0.620 18901 11232 1 19 . 1 1 46 46 GLN H H 46 8.207 8.207 8.849 -0.642 18901 11233 1 19 . 1 1 47 47 SER N N 47 117.541 117.541 117.294 0.247 18901 11234 1 19 . 1 1 47 47 SER HA H 47 4.445 4.445 4.659 -0.214 18901 11235 1 19 . 1 1 47 47 SER C C 47 175.100 175.100 174.041 1.059 18901 11236 1 19 . 1 1 47 47 SER CA C 47 57.957 57.957 58.632 -0.675 18901 11237 1 19 . 1 1 47 47 SER CB C 47 64.188 64.188 64.733 -0.545 18901 11238 1 19 . 1 1 47 47 SER H H 47 8.316 8.316 8.242 0.074 18901 11239 1 19 . 1 1 48 48 SER N N 48 116.421 116.421 115.250 1.171 18901 11240 1 19 . 1 1 48 48 SER HA H 48 4.446 4.446 4.575 -0.129 18901 11241 1 19 . 1 1 48 48 SER CA C 48 58.395 58.395 59.071 -0.676 18901 11242 1 19 . 1 1 48 48 SER CB C 48 63.932 63.932 63.707 0.225 18901 11243 1 19 . 1 1 48 48 SER H H 48 8.096 8.096 8.223 -0.127 18901 11244 1 19 . 1 1 49 49 GLN N N 49 120.755 120.755 122.235 -1.480 18901 11245 1 19 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.326 -0.015 18901 11246 1 19 . 1 1 49 49 GLN C C 49 176.420 176.420 174.575 1.845 18901 11247 1 19 . 1 1 49 49 GLN CA C 49 55.842 55.842 56.350 -0.508 18901 11248 1 19 . 1 1 49 49 GLN CB C 49 29.751 29.751 29.221 0.529 18901 11249 1 19 . 1 1 49 49 GLN H H 49 8.308 8.308 8.031 0.277 18901 11250 1 19 . 1 1 50 50 ALA N N 50 124.199 124.199 126.889 -2.690 18901 11251 1 19 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.625 -0.313 18901 11252 1 19 . 1 1 50 50 ALA C C 50 178.375 178.375 175.901 2.474 18901 11253 1 19 . 1 1 50 50 ALA CA C 50 52.620 52.620 51.048 1.572 18901 11254 1 19 . 1 1 50 50 ALA CB C 50 19.453 19.453 20.423 -0.970 18901 11255 1 19 . 1 1 50 50 ALA H H 50 8.219 8.219 8.367 -0.148 18901 11256 1 19 . 1 1 51 51 SER N N 51 113.652 113.652 116.488 -2.836 18901 11257 1 19 . 1 1 51 51 SER HA H 51 4.307 4.307 4.572 -0.265 18901 11258 1 19 . 1 1 51 51 SER C C 51 175.739 175.739 173.489 2.250 18901 11259 1 19 . 1 1 51 51 SER CA C 51 52.695 52.695 58.433 -5.738 18901 11260 1 19 . 1 1 51 51 SER CB C 51 62.104 62.104 64.862 -2.758 18901 11261 1 19 . 1 1 51 51 SER H H 51 8.148 8.148 8.031 0.117 18901 11262 1 19 . 1 1 52 52 GLY N N 52 109.442 109.442 108.958 0.484 18901 11263 1 19 . 1 1 52 52 GLY C C 52 174.511 174.511 172.351 2.160 18901 11264 1 19 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.289 0.109 18901 11265 1 19 . 1 1 52 52 GLY H H 52 8.267 8.267 8.524 -0.257 18901 11266 1 19 . 1 1 53 53 GLU N N 53 120.137 120.137 119.635 0.502 18901 11267 1 19 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.813 -0.260 18901 11268 1 19 . 1 1 53 53 GLU CA C 53 54.055 54.055 52.714 1.341 18901 11269 1 19 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.142 -0.298 18901 11270 1 19 . 1 1 53 53 GLU H H 53 7.951 7.951 7.688 0.263 18901 11271 1 19 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.582 -0.217 18901 11272 1 19 . 1 1 54 54 PRO C C 54 177.830 177.830 177.604 0.226 18901 11273 1 19 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.003 1.707 18901 11274 1 19 . 1 1 54 54 PRO CB C 54 32.712 32.712 33.113 -0.401 18901 11275 1 19 . 1 1 55 55 LYS N N 55 119.406 119.406 119.092 0.314 18901 11276 1 19 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.043 0.222 18901 11277 1 19 . 1 1 55 55 LYS C C 55 177.347 177.347 177.623 -0.276 18901 11278 1 19 . 1 1 55 55 LYS CA C 55 56.697 56.697 57.304 -0.607 18901 11279 1 19 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.618 1.628 18901 11280 1 19 . 1 1 55 55 LYS H H 55 8.315 8.315 8.499 -0.184 18901 11281 1 19 . 1 1 56 56 SER N N 56 114.624 114.624 114.631 -0.007 18901 11282 1 19 . 1 1 56 56 SER HA H 56 4.564 4.564 4.330 0.234 18901 11283 1 19 . 1 1 56 56 SER C C 56 175.285 175.285 175.235 0.050 18901 11284 1 19 . 1 1 56 56 SER CA C 56 60.090 60.090 60.477 -0.387 18901 11285 1 19 . 1 1 56 56 SER CB C 56 63.305 63.305 63.464 -0.159 18901 11286 1 19 . 1 1 56 56 SER H H 56 8.090 8.090 8.189 -0.099 18901 11287 1 19 . 1 1 57 57 SER N N 57 116.016 116.016 111.558 4.458 18901 11288 1 19 . 1 1 57 57 SER HA H 57 4.455 4.455 4.577 -0.122 18901 11289 1 19 . 1 1 57 57 SER C C 57 174.988 174.988 173.562 1.426 18901 11290 1 19 . 1 1 57 57 SER CA C 57 58.332 58.332 58.221 0.111 18901 11291 1 19 . 1 1 57 57 SER CB C 57 63.876 63.876 64.162 -0.286 18901 11292 1 19 . 1 1 57 57 SER H H 57 8.224 8.224 7.704 0.520 18901 11293 1 19 . 1 1 58 58 THR N N 58 116.090 116.090 118.517 -2.427 18901 11294 1 19 . 1 1 58 58 THR HA H 58 4.602 4.602 4.087 0.515 18901 11295 1 19 . 1 1 58 58 THR CA C 58 59.935 59.935 63.154 -3.219 18901 11296 1 19 . 1 1 58 58 THR CB C 58 69.773 69.773 68.457 1.316 18901 11297 1 19 . 1 1 58 58 THR H H 58 7.939 7.939 7.828 0.111 18901 11298 1 19 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.424 -0.143 18901 11299 1 19 . 1 1 59 59 PRO C C 59 177.272 177.272 177.200 0.072 18901 11300 1 19 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.231 -0.155 18901 11301 1 19 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.482 0.296 18901 11302 1 19 . 1 1 60 60 ALA N N 60 122.319 122.319 124.083 -1.764 18901 11303 1 19 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.196 0.023 18901 11304 1 19 . 1 1 60 60 ALA C C 60 178.277 178.277 177.031 1.246 18901 11305 1 19 . 1 1 60 60 ALA CA C 60 52.500 52.500 51.838 0.662 18901 11306 1 19 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.344 2.115 18901 11307 1 19 . 1 1 60 60 ALA H H 60 8.156 8.156 8.388 -0.232 18901 11308 1 19 . 1 1 61 61 GLN N N 61 117.680 117.680 120.492 -2.812 18901 11309 1 19 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.204 0.074 18901 11310 1 19 . 1 1 61 61 GLN C C 61 176.148 176.148 175.237 0.911 18901 11311 1 19 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.192 0.333 18901 11312 1 19 . 1 1 61 61 GLN CB C 61 30.044 30.044 27.839 2.205 18901 11313 1 19 . 1 1 61 61 GLN H H 61 8.016 8.016 7.869 0.147 18901 11314 1 19 . 1 1 62 62 LEU N N 62 121.805 121.805 121.637 0.168 18901 11315 1 19 . 1 1 62 62 LEU HA H 62 4.129 4.129 3.655 0.474 18901 11316 1 19 . 1 1 62 62 LEU C C 62 176.202 176.202 174.657 1.545 18901 11317 1 19 . 1 1 62 62 LEU CA C 62 54.574 54.574 56.039 -1.465 18901 11318 1 19 . 1 1 62 62 LEU CB C 62 43.290 43.290 40.520 2.770 18901 11319 1 19 . 1 1 62 62 LEU H H 62 7.968 7.968 8.043 -0.075 18901 11320 1 19 . 1 1 63 63 ALA N N 63 124.947 124.947 119.821 5.126 18901 11321 1 19 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.236 0.260 18901 11322 1 19 . 1 1 63 63 ALA C C 63 176.252 176.252 174.855 1.397 18901 11323 1 19 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.627 -0.829 18901 11324 1 19 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.727 -0.081 18901 11325 1 19 . 1 1 63 63 ALA H H 63 8.434 8.434 6.952 1.482 18901 11326 1 19 . 1 1 64 64 PHE N N 64 117.099 117.099 119.738 -2.639 18901 11327 1 19 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.961 0.123 18901 11328 1 19 . 1 1 64 64 PHE C C 64 176.403 176.403 175.277 1.126 18901 11329 1 19 . 1 1 64 64 PHE CA C 64 57.733 57.733 56.248 1.484 18901 11330 1 19 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.716 0.094 18901 11331 1 19 . 1 1 64 64 PHE H H 64 8.446 8.446 8.022 0.424 18901 11332 1 19 . 1 1 65 65 MET N N 65 120.470 120.470 121.086 -0.616 18901 11333 1 19 . 1 1 65 65 MET HA H 65 4.902 4.902 4.401 0.501 18901 11334 1 19 . 1 1 65 65 MET CA C 65 53.984 53.984 58.266 -4.282 18901 11335 1 19 . 1 1 65 65 MET CB C 65 36.825 36.825 33.465 3.360 18901 11336 1 19 . 1 1 65 65 MET H H 65 9.050 9.050 8.363 0.687 18901 11337 1 19 . 1 1 66 66 ARG N N 66 120.685 120.685 119.721 0.964 18901 11338 1 19 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.282 -0.139 18901 11339 1 19 . 1 1 66 66 ARG C C 66 176.916 176.916 175.682 1.234 18901 11340 1 19 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.559 1.403 18901 11341 1 19 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.456 2.616 18901 11342 1 19 . 1 1 66 66 ARG H H 66 7.540 7.540 8.481 -0.941 18901 11343 1 19 . 1 1 67 67 VAL N N 67 117.677 117.677 114.758 2.919 18901 11344 1 19 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.998 0.716 18901 11345 1 19 . 1 1 67 67 VAL C C 67 175.777 175.777 176.339 -0.562 18901 11346 1 19 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.209 -2.290 18901 11347 1 19 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.955 1.459 18901 11348 1 19 . 1 1 67 67 VAL H H 67 8.859 8.859 7.872 0.987 18901 11349 1 19 . 1 1 68 68 TYR N N 68 120.707 120.707 122.741 -2.034 18901 11350 1 19 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.166 0.611 18901 11351 1 19 . 1 1 68 68 TYR C C 68 173.712 173.712 174.580 -0.868 18901 11352 1 19 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.826 -1.521 18901 11353 1 19 . 1 1 68 68 TYR CB C 68 43.056 43.056 37.704 5.352 18901 11354 1 19 . 1 1 68 68 TYR H H 68 7.539 7.539 7.580 -0.041 18901 11355 1 19 . 1 1 69 69 CYS N N 69 127.927 127.927 124.660 3.267 18901 11356 1 19 . 1 1 69 69 CYS HA H 69 5.069 5.069 3.944 1.125 18901 11357 1 19 . 1 1 69 69 CYS C C 69 174.094 174.094 173.796 0.298 18901 11358 1 19 . 1 1 69 69 CYS CA C 69 57.190 57.190 57.799 -0.609 18901 11359 1 19 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.291 -0.301 18901 11360 1 19 . 1 1 69 69 CYS H H 69 7.601 7.601 8.282 -0.681 18901 11361 1 19 . 1 1 70 70 GLY N N 70 114.822 114.822 110.328 4.494 18901 11362 1 19 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.451 2.695 18901 11363 1 19 . 1 1 70 70 GLY H H 70 8.336 8.336 7.681 0.655 18901 11364 1 19 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.444 0.104 18901 11365 1 19 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.270 0.394 18901 11366 1 19 . 1 1 72 72 SER N N 72 112.451 112.451 114.562 -2.111 18901 11367 1 19 . 1 1 72 72 SER HA H 72 4.850 4.850 4.962 -0.112 18901 11368 1 19 . 1 1 72 72 SER CA C 72 56.874 56.874 55.586 1.288 18901 11369 1 19 . 1 1 72 72 SER CB C 72 63.248 63.248 64.022 -0.774 18901 11370 1 19 . 1 1 72 72 SER H H 72 7.327 7.327 7.902 -0.575 18901 11371 1 19 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.634 -0.441 18901 11372 1 19 . 1 1 73 73 PRO CA C 73 63.555 63.555 62.922 0.633 18901 11373 1 19 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.259 -0.023 18901 11374 1 19 . 1 1 74 74 SER N N 74 111.450 111.450 113.977 -2.527 18901 11375 1 19 . 1 1 74 74 SER HA H 74 3.907 3.907 3.138 0.769 18901 11376 1 19 . 1 1 74 74 SER CA C 74 56.710 56.710 58.664 -1.954 18901 11377 1 19 . 1 1 74 74 SER CB C 74 64.647 64.647 61.581 3.066 18901 11378 1 19 . 1 1 74 74 SER H H 74 6.909 6.909 7.783 -0.874 18901 11379 1 19 . 1 1 75 75 CYS N N 75 124.103 124.103 117.736 6.367 18901 11380 1 19 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.541 -0.982 18901 11381 1 19 . 1 1 75 75 CYS C C 75 171.568 171.568 174.323 -2.755 18901 11382 1 19 . 1 1 75 75 CYS CA C 75 62.200 62.200 56.958 5.242 18901 11383 1 19 . 1 1 75 75 CYS CB C 75 26.251 26.251 30.655 -4.404 18901 11384 1 19 . 1 1 75 75 CYS H H 75 6.017 6.017 7.839 -1.822 18901 11385 1 19 . 1 1 76 76 LEU N N 76 121.191 121.191 118.955 2.236 18901 11386 1 19 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.883 -0.060 18901 11387 1 19 . 1 1 76 76 LEU C C 76 176.786 176.786 176.061 0.725 18901 11388 1 19 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.271 -0.906 18901 11389 1 19 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.736 1.490 18901 11390 1 19 . 1 1 76 76 LEU H H 76 8.015 8.015 8.019 -0.004 18901 11391 1 19 . 1 1 77 77 VAL N N 77 126.347 126.347 120.016 6.331 18901 11392 1 19 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.505 -0.253 18901 11393 1 19 . 1 1 77 77 VAL C C 77 175.529 175.529 175.229 0.300 18901 11394 1 19 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.156 1.495 18901 11395 1 19 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.188 -2.512 18901 11396 1 19 . 1 1 77 77 VAL H H 77 9.084 9.084 8.310 0.774 18901 11397 1 19 . 1 1 78 78 GLN N N 78 124.566 124.566 127.956 -3.390 18901 11398 1 19 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.467 0.048 18901 11399 1 19 . 1 1 78 78 GLN C C 78 178.805 178.805 177.657 1.148 18901 11400 1 19 . 1 1 78 78 GLN CA C 78 56.916 56.916 57.305 -0.389 18901 11401 1 19 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.186 1.212 18901 11402 1 19 . 1 1 78 78 GLN H H 78 8.908 8.908 8.854 0.054 18901 11403 1 19 . 1 1 79 79 SER N N 79 116.974 116.974 119.815 -2.841 18901 11404 1 19 . 1 1 79 79 SER HA H 79 4.087 4.087 4.275 -0.188 18901 11405 1 19 . 1 1 79 79 SER C C 79 177.179 177.179 175.990 1.189 18901 11406 1 19 . 1 1 79 79 SER CA C 79 62.454 62.454 61.620 0.834 18901 11407 1 19 . 1 1 79 79 SER CB C 79 62.787 62.787 63.006 -0.219 18901 11408 1 19 . 1 1 79 79 SER H H 79 8.458 8.458 8.623 -0.165 18901 11409 1 19 . 1 1 80 80 SER N N 80 114.734 114.734 115.208 -0.474 18901 11410 1 19 . 1 1 80 80 SER HA H 80 4.211 4.211 4.452 -0.241 18901 11411 1 19 . 1 1 80 80 SER C C 80 177.853 177.853 174.912 2.941 18901 11412 1 19 . 1 1 80 80 SER CA C 80 61.190 61.190 59.999 1.191 18901 11413 1 19 . 1 1 80 80 SER CB C 80 62.358 62.358 62.364 -0.006 18901 11414 1 19 . 1 1 80 80 SER H H 80 8.537 8.537 8.587 -0.050 18901 11415 1 19 . 1 1 81 81 SER N N 81 117.137 117.137 116.070 1.067 18901 11416 1 19 . 1 1 81 81 SER HA H 81 4.455 4.455 4.654 -0.199 18901 11417 1 19 . 1 1 81 81 SER C C 81 175.702 175.702 175.703 -0.001 18901 11418 1 19 . 1 1 81 81 SER CA C 81 61.433 61.433 60.004 1.429 18901 11419 1 19 . 1 1 81 81 SER CB C 81 63.130 63.130 64.397 -1.267 18901 11420 1 19 . 1 1 81 81 SER H H 81 7.514 7.514 8.065 -0.551 18901 11421 1 19 . 1 1 82 82 LEU N N 82 117.548 117.548 124.229 -6.681 18901 11422 1 19 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.204 -0.171 18901 11423 1 19 . 1 1 82 82 LEU C C 82 179.445 179.445 178.674 0.771 18901 11424 1 19 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.363 -0.661 18901 11425 1 19 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.369 0.419 18901 11426 1 19 . 1 1 82 82 LEU H H 82 7.629 7.629 7.584 0.045 18901 11427 1 19 . 1 1 83 83 SER N N 83 113.258 113.258 112.819 0.439 18901 11428 1 19 . 1 1 83 83 SER HA H 83 4.214 4.214 4.277 -0.063 18901 11429 1 19 . 1 1 83 83 SER C C 83 175.256 175.256 174.635 0.621 18901 11430 1 19 . 1 1 83 83 SER CA C 83 61.192 61.192 60.788 0.404 18901 11431 1 19 . 1 1 83 83 SER CB C 83 63.544 63.544 62.942 0.602 18901 11432 1 19 . 1 1 83 83 SER H H 83 7.805 7.805 8.585 -0.780 18901 11433 1 19 . 1 1 84 84 ASN N N 84 116.565 116.565 115.689 0.876 18901 11434 1 19 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.874 0.048 18901 11435 1 19 . 1 1 84 84 ASN C C 84 175.063 175.063 173.396 1.667 18901 11436 1 19 . 1 1 84 84 ASN CA C 84 52.672 52.672 52.850 -0.178 18901 11437 1 19 . 1 1 84 84 ASN CB C 84 39.691 39.691 40.281 -0.590 18901 11438 1 19 . 1 1 84 84 ASN H H 84 7.612 7.612 7.609 0.003 18901 11439 1 19 . 1 1 85 85 ALA N N 85 119.819 119.819 120.854 -1.035 18901 11440 1 19 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.881 -0.632 18901 11441 1 19 . 1 1 85 85 ALA C C 85 178.113 178.113 176.286 1.827 18901 11442 1 19 . 1 1 85 85 ALA CA C 85 53.065 53.065 50.838 2.227 18901 11443 1 19 . 1 1 85 85 ALA CB C 85 19.820 19.820 20.741 -0.922 18901 11444 1 19 . 1 1 85 85 ALA H H 85 7.558 7.558 7.386 0.172 18901 11445 1 19 . 1 1 86 86 HIS N N 86 118.388 118.388 123.699 -5.311 18901 11446 1 19 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.681 -0.276 18901 11447 1 19 . 1 1 86 86 HIS C C 86 175.333 175.333 175.199 0.134 18901 11448 1 19 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.868 -0.249 18901 11449 1 19 . 1 1 86 86 HIS CB C 86 29.198 29.198 32.132 -2.934 18901 11450 1 19 . 1 1 86 86 HIS H H 86 8.280 8.280 8.482 -0.202 18901 11451 1 19 . 1 1 87 87 ILE N N 87 126.618 126.618 122.778 3.840 18901 11452 1 19 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.344 -0.289 18901 11453 1 19 . 1 1 87 87 ILE C C 87 174.718 174.718 175.865 -1.147 18901 11454 1 19 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.395 0.031 18901 11455 1 19 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.446 -1.004 18901 11456 1 19 . 1 1 87 87 ILE H H 87 7.873 7.873 7.841 0.032 18901 11457 1 19 . 1 1 88 88 ASP N N 88 124.684 124.684 125.168 -0.484 18901 11458 1 19 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.612 -0.100 18901 11459 1 19 . 1 1 88 88 ASP C C 88 176.506 176.506 174.930 1.576 18901 11460 1 19 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.126 -0.889 18901 11461 1 19 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.884 1.877 18901 11462 1 19 . 1 1 88 88 ASP H H 88 8.572 8.572 8.752 -0.180 18901 11463 1 19 . 1 1 89 89 TYR N N 89 122.959 122.959 126.060 -3.101 18901 11464 1 19 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.796 -0.417 18901 11465 1 19 . 1 1 89 89 TYR C C 89 176.631 176.631 175.696 0.935 18901 11466 1 19 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.392 1.237 18901 11467 1 19 . 1 1 89 89 TYR CB C 89 38.462 38.462 39.053 -0.591 18901 11468 1 19 . 1 1 89 89 TYR H H 89 8.533 8.533 8.830 -0.297 18901 11469 1 19 . 1 1 90 90 THR N N 90 115.232 115.232 114.962 0.270 18901 11470 1 19 . 1 1 90 90 THR HA H 90 3.974 3.974 4.414 -0.440 18901 11471 1 19 . 1 1 90 90 THR C C 90 176.298 176.298 175.746 0.552 18901 11472 1 19 . 1 1 90 90 THR CA C 90 65.610 65.610 63.931 1.679 18901 11473 1 19 . 1 1 90 90 THR CB C 90 68.758 68.758 70.084 -1.326 18901 11474 1 19 . 1 1 90 90 THR H H 90 8.024 8.024 8.319 -0.295 18901 11475 1 19 . 1 1 91 91 THR N N 91 112.253 112.253 115.160 -2.907 18901 11476 1 19 . 1 1 91 91 THR HA H 91 4.290 4.290 4.402 -0.112 18901 11477 1 19 . 1 1 91 91 THR C C 91 174.644 174.644 174.150 0.494 18901 11478 1 19 . 1 1 91 91 THR CA C 91 61.288 61.288 63.482 -2.194 18901 11479 1 19 . 1 1 91 91 THR CB C 91 69.418 69.418 70.444 -1.026 18901 11480 1 19 . 1 1 91 91 THR H H 91 8.013 8.013 8.680 -0.667 18901 11481 1 19 . 1 1 92 92 LYS N N 92 121.833 121.833 120.124 1.709 18901 11482 1 19 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.603 -0.144 18901 11483 1 19 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.755 0.677 18901 11484 1 19 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.690 -6.267 18901 11485 1 19 . 1 1 92 92 LYS H H 92 7.883 7.883 8.120 -0.237 18901 11486 1 19 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.648 -0.437 18901 11487 1 19 . 1 1 93 93 PRO C C 93 176.775 176.775 175.562 1.213 18901 11488 1 19 . 1 1 93 93 PRO CA C 93 63.385 63.385 63.084 0.301 18901 11489 1 19 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.189 1.025 18901 11490 1 19 . 1 1 94 94 ALA N N 94 122.487 122.487 125.037 -2.550 18901 11491 1 19 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.975 -0.110 18901 11492 1 19 . 1 1 94 94 ALA C C 94 175.790 175.790 175.148 0.642 18901 11493 1 19 . 1 1 94 94 ALA CA C 94 51.011 51.011 51.142 -0.132 18901 11494 1 19 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.294 0.545 18901 11495 1 19 . 1 1 94 94 ALA H H 94 8.072 8.072 7.705 0.367 18901 11496 1 19 . 1 1 95 95 ILE N N 95 120.526 120.526 120.302 0.224 18901 11497 1 19 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.393 -0.102 18901 11498 1 19 . 1 1 95 95 ILE C C 95 175.063 175.063 175.107 -0.044 18901 11499 1 19 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.356 0.074 18901 11500 1 19 . 1 1 95 95 ILE CB C 95 40.656 40.656 40.077 0.579 18901 11501 1 19 . 1 1 95 95 ILE H H 95 8.099 8.099 7.920 0.179 18901 11502 1 19 . 1 1 96 96 ILE N N 96 126.053 126.053 127.140 -1.087 18901 11503 1 19 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.835 0.119 18901 11504 1 19 . 1 1 96 96 ILE C C 96 175.609 175.609 175.441 0.168 18901 11505 1 19 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.308 0.982 18901 11506 1 19 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.413 2.486 18901 11507 1 19 . 1 1 96 96 ILE H H 96 9.393 9.393 8.509 0.884 18901 11508 1 19 . 1 1 97 97 PHE N N 97 120.455 120.455 127.442 -6.987 18901 11509 1 19 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.948 1.069 18901 11510 1 19 . 1 1 97 97 PHE C C 97 177.044 177.044 175.779 1.265 18901 11511 1 19 . 1 1 97 97 PHE CA C 97 55.769 55.769 57.001 -1.232 18901 11512 1 19 . 1 1 97 97 PHE CB C 97 43.686 43.686 41.421 2.265 18901 11513 1 19 . 1 1 97 97 PHE H H 97 8.626 8.626 8.484 0.142 18901 11514 1 19 . 1 1 98 98 ARG N N 98 117.253 117.253 118.794 -1.541 18901 11515 1 19 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.659 0.782 18901 11516 1 19 . 1 1 98 98 ARG C C 98 176.125 176.125 174.026 2.099 18901 11517 1 19 . 1 1 98 98 ARG CA C 98 54.963 54.963 55.547 -0.584 18901 11518 1 19 . 1 1 98 98 ARG CB C 98 35.621 35.621 34.112 1.509 18901 11519 1 19 . 1 1 98 98 ARG H H 98 9.041 9.041 8.366 0.675 18901 11520 1 19 . 1 1 99 99 ILE N N 99 120.894 120.894 122.837 -1.943 18901 11521 1 19 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.770 0.249 18901 11522 1 19 . 1 1 99 99 ILE C C 99 174.486 174.486 173.511 0.975 18901 11523 1 19 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.453 1.481 18901 11524 1 19 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.740 -1.325 18901 11525 1 19 . 1 1 99 99 ILE H H 99 8.499 8.499 8.778 -0.279 18901 11526 1 19 . 1 1 100 100 ALA N N 100 127.368 127.368 124.030 3.338 18901 11527 1 19 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.494 0.394 18901 11528 1 19 . 1 1 100 100 ALA C C 100 175.044 175.044 174.798 0.246 18901 11529 1 19 . 1 1 100 100 ALA CA C 100 51.356 51.356 51.700 -0.344 18901 11530 1 19 . 1 1 100 100 ALA CB C 100 24.590 24.590 21.909 2.681 18901 11531 1 19 . 1 1 100 100 ALA H H 100 8.779 8.779 7.812 0.967 18901 11532 1 19 . 1 1 101 101 ALA N N 101 123.472 123.472 124.680 -1.208 18901 11533 1 19 . 1 1 101 101 ALA HA H 101 5.118 5.118 2.610 2.508 18901 11534 1 19 . 1 1 101 101 ALA C C 101 174.314 174.314 177.396 -3.082 18901 11535 1 19 . 1 1 101 101 ALA CA C 101 50.568 50.568 51.502 -0.934 18901 11536 1 19 . 1 1 101 101 ALA CB C 101 24.621 24.621 18.955 5.666 18901 11537 1 19 . 1 1 101 101 ALA H H 101 9.955 9.955 8.107 1.848 18901 11538 1 19 . 1 1 102 102 ARG N N 102 119.295 119.295 124.724 -5.429 18901 11539 1 19 . 1 1 102 102 ARG HA H 102 4.591 4.591 4.314 0.277 18901 11540 1 19 . 1 1 102 102 ARG C C 102 176.649 176.649 175.071 1.578 18901 11541 1 19 . 1 1 102 102 ARG CA C 102 54.071 54.071 55.001 -0.930 18901 11542 1 19 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.654 3.516 18901 11543 1 19 . 1 1 102 102 ARG H H 102 8.474 8.474 8.083 0.391 18901 11544 1 19 . 1 1 103 103 ASN N N 103 124.198 124.198 123.155 1.043 18901 11545 1 19 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.267 0.187 18901 11546 1 19 . 1 1 103 103 ASN C C 103 176.327 176.327 176.736 -0.409 18901 11547 1 19 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.612 -0.308 18901 11548 1 19 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.522 -0.863 18901 11549 1 19 . 1 1 103 103 ASN H H 103 7.816 7.816 7.942 -0.126 18901 11550 1 19 . 1 1 104 104 GLU N N 104 115.270 115.270 119.371 -4.101 18901 11551 1 19 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.033 -0.180 18901 11552 1 19 . 1 1 104 104 GLU C C 104 177.716 177.716 177.422 0.294 18901 11553 1 19 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.338 0.567 18901 11554 1 19 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.368 -0.204 18901 11555 1 19 . 1 1 104 104 GLU H H 104 9.416 9.416 8.400 1.016 18901 11556 1 19 . 1 1 105 105 LYS N N 105 116.576 116.576 115.815 0.761 18901 11557 1 19 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.189 0.073 18901 11558 1 19 . 1 1 105 105 LYS C C 105 177.667 177.667 177.278 0.389 18901 11559 1 19 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.495 0.560 18901 11560 1 19 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.763 0.288 18901 11561 1 19 . 1 1 105 105 LYS H H 105 7.737 7.737 8.308 -0.571 18901 11562 1 19 . 1 1 106 106 GLY N N 106 104.067 104.067 106.366 -2.299 18901 11563 1 19 . 1 1 106 106 GLY C C 106 172.796 172.796 173.449 -0.653 18901 11564 1 19 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.428 1.488 18901 11565 1 19 . 1 1 106 106 GLY H H 106 7.906 7.906 7.640 0.266 18901 11566 1 19 . 1 1 107 107 TYR N N 107 117.296 117.296 120.954 -3.658 18901 11567 1 19 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.502 0.247 18901 11568 1 19 . 1 1 107 107 TYR C C 107 178.772 178.772 176.163 2.609 18901 11569 1 19 . 1 1 107 107 TYR CA C 107 59.800 59.800 56.079 3.721 18901 11570 1 19 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.191 4.375 18901 11571 1 19 . 1 1 107 107 TYR H H 107 8.378 8.378 8.252 0.126 18901 11572 1 19 . 1 1 108 108 GLY N N 108 107.379 107.379 110.086 -2.707 18901 11573 1 19 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.633 -0.371 18901 11574 1 19 . 1 1 108 108 GLY H H 108 8.651 8.651 7.254 1.397 18901 11575 1 19 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.361 -0.416 18901 11576 1 19 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.741 0.130 18901 11577 1 19 . 1 1 110 110 ALA C C 110 179.404 179.404 176.231 3.173 18901 11578 1 19 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.280 -1.012 18901 11579 1 19 . 1 1 110 110 ALA CB C 110 20.115 20.115 22.756 -2.641 18901 11580 1 19 . 1 1 111 111 THR N N 111 118.432 118.432 116.138 2.294 18901 11581 1 19 . 1 1 111 111 THR HA H 111 4.396 4.396 4.602 -0.206 18901 11582 1 19 . 1 1 111 111 THR C C 111 173.449 173.449 172.823 0.626 18901 11583 1 19 . 1 1 111 111 THR CA C 111 61.721 61.721 61.732 -0.011 18901 11584 1 19 . 1 1 111 111 THR CB C 111 69.967 69.967 70.302 -0.334 18901 11585 1 19 . 1 1 111 111 THR H H 111 8.810 8.810 8.441 0.369 18901 11586 1 19 . 1 1 112 112 GLN N N 112 127.590 127.590 126.732 0.858 18901 11587 1 19 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.655 0.682 18901 11588 1 19 . 1 1 112 112 GLN C C 112 175.442 175.442 173.932 1.510 18901 11589 1 19 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.020 -0.216 18901 11590 1 19 . 1 1 112 112 GLN CB C 112 31.753 31.753 30.520 1.232 18901 11591 1 19 . 1 1 112 112 GLN H H 112 8.698 8.698 8.476 0.222 18901 11592 1 19 . 1 1 113 113 VAL N N 113 123.646 123.646 116.884 6.762 18901 11593 1 19 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.603 -0.029 18901 11594 1 19 . 1 1 113 113 VAL C C 113 173.891 173.891 174.736 -0.845 18901 11595 1 19 . 1 1 113 113 VAL CA C 113 60.284 60.284 58.612 1.672 18901 11596 1 19 . 1 1 113 113 VAL CB C 113 36.064 36.064 35.410 0.654 18901 11597 1 19 . 1 1 113 113 VAL H H 113 9.101 9.101 8.428 0.673 18901 11598 1 19 . 1 1 114 114 ARG N N 114 122.944 122.944 119.179 3.765 18901 11599 1 19 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.129 -0.196 18901 11600 1 19 . 1 1 114 114 ARG C C 114 175.683 175.683 175.273 0.410 18901 11601 1 19 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.535 0.214 18901 11602 1 19 . 1 1 114 114 ARG CB C 114 32.053 32.053 30.871 1.182 18901 11603 1 19 . 1 1 114 114 ARG H H 114 8.434 8.434 8.436 -0.002 18901 11604 1 19 . 1 1 115 115 TRP N N 115 126.067 126.067 129.209 -3.142 18901 11605 1 19 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.799 0.458 18901 11606 1 19 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.686 -1.165 18901 11607 1 19 . 1 1 115 115 TRP CB C 115 30.048 30.048 28.680 1.367 18901 11608 1 19 . 1 1 115 115 TRP H H 115 9.944 9.944 9.143 0.801 18901 11609 1 19 . 1 1 116 116 LEU N N 116 130.031 130.031 126.049 3.982 18901 11610 1 19 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.565 -0.302 18901 11611 1 19 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.655 1.042 18901 11612 1 19 . 1 1 116 116 LEU CB C 116 41.727 41.727 42.741 -1.014 18901 11613 1 19 . 1 1 116 116 LEU H H 116 8.722 8.722 7.832 0.890 18901 11614 1 19 . 1 1 117 117 GLN N N 117 124.737 124.737 116.471 8.266 18901 11615 1 19 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.930 0.118 18901 11616 1 19 . 1 1 117 117 GLN CA C 117 57.436 57.436 57.031 0.406 18901 11617 1 19 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.625 4.043 18901 11618 1 19 . 1 1 117 117 GLN H H 117 7.453 7.453 8.926 -1.473 18901 11619 1 19 . 1 1 118 118 GLU N N 118 118.531 118.531 116.615 1.916 18901 11620 1 19 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.301 0.094 18901 11621 1 19 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.762 -2.080 18901 11622 1 19 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.596 0.776 18901 11623 1 19 . 1 1 118 118 GLU H H 118 7.891 7.891 7.925 -0.034 18901 11624 1 19 . 1 1 119 119 THR N N 119 121.831 121.831 116.752 5.079 18901 11625 1 19 . 1 1 119 119 THR HA H 119 4.267 4.267 4.142 0.125 18901 11626 1 19 . 1 1 119 119 THR CA C 119 55.604 55.604 63.463 -7.859 18901 11627 1 19 . 1 1 119 119 THR CB C 119 69.285 69.285 67.525 1.760 18901 11628 1 19 . 1 1 119 119 THR H H 119 7.892 7.892 7.649 0.243 18901 11629 1 20 . 1 1 6 6 PHE N N 6 117.872 117.872 121.829 -3.957 18901 11630 1 20 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.950 -0.160 18901 11631 1 20 . 1 1 6 6 PHE CA C 6 56.026 56.026 53.645 2.381 18901 11632 1 20 . 1 1 6 6 PHE CB C 6 38.260 38.260 41.233 -2.973 18901 11633 1 20 . 1 1 6 6 PHE H H 6 7.818 7.818 8.022 -0.204 18901 11634 1 20 . 1 1 7 7 PRO CA C 7 4.186 4.186 62.982 -58.796 18901 11635 1 20 . 1 1 8 8 GLY N N 8 101.657 101.657 109.753 -8.096 18901 11636 1 20 . 1 1 8 8 GLY CA C 8 44.176 44.176 45.642 -1.466 18901 11637 1 20 . 1 1 8 8 GLY H H 8 7.927 7.927 7.585 0.342 18901 11638 1 20 . 1 1 9 9 ALA N N 9 120.767 120.767 121.104 -0.337 18901 11639 1 20 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.035 0.831 18901 11640 1 20 . 1 1 9 9 ALA CA C 9 50.198 50.198 51.912 -1.714 18901 11641 1 20 . 1 1 9 9 ALA CB C 9 18.937 18.937 17.578 1.359 18901 11642 1 20 . 1 1 9 9 ALA H H 9 8.235 8.235 8.261 -0.026 18901 11643 1 20 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.640 -0.283 18901 11644 1 20 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.623 0.689 18901 11645 1 20 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.764 0.047 18901 11646 1 20 . 1 1 11 11 CYS N N 11 114.905 114.905 115.663 -0.758 18901 11647 1 20 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.618 0.320 18901 11648 1 20 . 1 1 11 11 CYS C C 11 172.706 172.706 174.656 -1.950 18901 11649 1 20 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.818 -0.980 18901 11650 1 20 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.153 0.986 18901 11651 1 20 . 1 1 11 11 CYS H H 11 8.084 8.084 8.319 -0.235 18901 11652 1 20 . 1 1 12 12 ALA N N 12 120.844 120.844 122.667 -1.823 18901 11653 1 20 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.056 -0.129 18901 11654 1 20 . 1 1 12 12 ALA C C 12 176.005 176.005 176.805 -0.800 18901 11655 1 20 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.476 -0.712 18901 11656 1 20 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.789 -0.193 18901 11657 1 20 . 1 1 12 12 ALA H H 12 8.535 8.535 8.483 0.052 18901 11658 1 20 . 1 1 13 13 ILE N N 13 116.800 116.800 119.271 -2.471 18901 11659 1 20 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.393 0.060 18901 11660 1 20 . 1 1 13 13 ILE C C 13 177.506 177.506 176.123 1.383 18901 11661 1 20 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.171 0.164 18901 11662 1 20 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.439 -0.571 18901 11663 1 20 . 1 1 13 13 ILE H H 13 7.802 7.802 7.856 -0.054 18901 11664 1 20 . 1 1 14 14 LYS N N 14 129.030 129.030 127.092 1.938 18901 11665 1 20 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.636 -0.039 18901 11666 1 20 . 1 1 14 14 LYS C C 14 175.508 175.508 174.741 0.767 18901 11667 1 20 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.437 1.115 18901 11668 1 20 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.747 -0.459 18901 11669 1 20 . 1 1 14 14 LYS H H 14 9.249 9.249 8.714 0.535 18901 11670 1 20 . 1 1 15 15 ILE N N 15 121.333 121.333 120.282 1.051 18901 11671 1 20 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.886 -0.302 18901 11672 1 20 . 1 1 15 15 ILE C C 15 175.983 175.983 175.256 0.727 18901 11673 1 20 . 1 1 15 15 ILE CA C 15 60.808 60.808 59.698 1.110 18901 11674 1 20 . 1 1 15 15 ILE CB C 15 40.620 40.620 41.445 -0.825 18901 11675 1 20 . 1 1 15 15 ILE H H 15 8.231 8.231 8.280 -0.049 18901 11676 1 20 . 1 1 16 16 SER N N 16 120.251 120.251 117.520 2.731 18901 11677 1 20 . 1 1 16 16 SER HA H 16 4.933 4.933 4.862 0.071 18901 11678 1 20 . 1 1 16 16 SER C C 16 173.725 173.725 172.629 1.096 18901 11679 1 20 . 1 1 16 16 SER CA C 16 56.656 56.656 56.949 -0.293 18901 11680 1 20 . 1 1 16 16 SER CB C 16 65.750 65.750 65.477 0.273 18901 11681 1 20 . 1 1 16 16 SER H H 16 8.694 8.694 7.907 0.787 18901 11682 1 20 . 1 1 17 17 LYS N N 17 124.155 124.155 121.232 2.923 18901 11683 1 20 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.416 0.244 18901 11684 1 20 . 1 1 17 17 LYS C C 17 175.815 175.815 175.839 -0.024 18901 11685 1 20 . 1 1 17 17 LYS CA C 17 57.275 57.275 55.915 1.360 18901 11686 1 20 . 1 1 17 17 LYS CB C 17 34.566 34.566 34.394 0.172 18901 11687 1 20 . 1 1 17 17 LYS H H 17 8.985 8.985 8.582 0.403 18901 11688 1 20 . 1 1 18 18 SER N N 18 121.663 121.663 115.125 6.538 18901 11689 1 20 . 1 1 18 18 SER HA H 18 5.076 5.076 4.729 0.347 18901 11690 1 20 . 1 1 18 18 SER CA C 18 56.676 56.676 56.010 0.666 18901 11691 1 20 . 1 1 18 18 SER CB C 18 64.993 64.993 64.325 0.668 18901 11692 1 20 . 1 1 18 18 SER H H 18 8.555 8.555 8.544 0.011 18901 11693 1 20 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.428 -0.094 18901 11694 1 20 . 1 1 19 19 PRO C C 19 177.406 177.406 176.060 1.346 18901 11695 1 20 . 1 1 19 19 PRO CA C 19 65.489 65.489 63.771 1.718 18901 11696 1 20 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.847 0.218 18901 11697 1 20 . 1 1 20 20 ASP N N 20 110.573 110.573 117.371 -6.798 18901 11698 1 20 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.762 -0.083 18901 11699 1 20 . 1 1 20 20 ASP C C 20 176.667 176.667 175.645 1.022 18901 11700 1 20 . 1 1 20 20 ASP CA C 20 53.558 53.558 53.245 0.312 18901 11701 1 20 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.361 0.062 18901 11702 1 20 . 1 1 20 20 ASP H H 20 8.019 8.019 7.983 0.036 18901 11703 1 20 . 1 1 21 21 GLY N N 21 107.592 107.592 106.738 0.854 18901 11704 1 20 . 1 1 21 21 GLY C C 21 172.365 172.365 171.969 0.396 18901 11705 1 20 . 1 1 21 21 GLY CA C 21 45.730 45.730 44.675 1.055 18901 11706 1 20 . 1 1 21 21 GLY H H 21 7.623 7.623 7.389 0.234 18901 11707 1 20 . 1 1 22 22 ALA N N 22 123.764 123.764 122.765 0.999 18901 11708 1 20 . 1 1 22 22 ALA HA H 22 4.787 4.787 4.834 -0.047 18901 11709 1 20 . 1 1 22 22 ALA C C 22 175.801 175.801 175.659 0.142 18901 11710 1 20 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.205 0.574 18901 11711 1 20 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.576 -0.442 18901 11712 1 20 . 1 1 22 22 ALA H H 22 8.704 8.704 7.994 0.710 18901 11713 1 20 . 1 1 23 23 HIS N N 23 120.666 120.666 120.813 -0.147 18901 11714 1 20 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.701 0.280 18901 11715 1 20 . 1 1 23 23 HIS C C 23 174.199 174.199 173.211 0.988 18901 11716 1 20 . 1 1 23 23 HIS CA C 23 54.267 54.267 54.767 -0.500 18901 11717 1 20 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.596 -0.607 18901 11718 1 20 . 1 1 23 23 HIS H H 23 9.088 9.088 8.515 0.573 18901 11719 1 20 . 1 1 24 24 LEU N N 24 127.467 127.467 127.056 0.411 18901 11720 1 20 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.853 0.327 18901 11721 1 20 . 1 1 24 24 LEU C C 24 176.430 176.430 175.537 0.893 18901 11722 1 20 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.692 1.836 18901 11723 1 20 . 1 1 24 24 LEU CB C 24 44.957 44.957 43.520 1.437 18901 11724 1 20 . 1 1 24 24 LEU H H 24 8.702 8.702 8.411 0.291 18901 11725 1 20 . 1 1 25 25 THR N N 25 111.459 111.459 118.473 -7.014 18901 11726 1 20 . 1 1 25 25 THR HA H 25 4.186 4.186 3.816 0.370 18901 11727 1 20 . 1 1 25 25 THR C C 25 172.720 172.720 172.262 0.458 18901 11728 1 20 . 1 1 25 25 THR CA C 25 60.798 60.798 60.573 0.225 18901 11729 1 20 . 1 1 25 25 THR CB C 25 72.021 72.021 70.297 1.724 18901 11730 1 20 . 1 1 25 25 THR H H 25 8.643 8.643 8.543 0.100 18901 11731 1 20 . 1 1 26 26 TRP N N 26 117.073 117.073 123.985 -6.912 18901 11732 1 20 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.348 -0.315 18901 11733 1 20 . 1 1 26 26 TRP C C 26 173.425 173.425 174.002 -0.577 18901 11734 1 20 . 1 1 26 26 TRP CA C 26 56.687 56.687 55.741 0.946 18901 11735 1 20 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.147 -0.990 18901 11736 1 20 . 1 1 26 26 TRP H H 26 7.301 7.301 7.760 -0.459 18901 11737 1 20 . 1 1 27 27 GLU N N 27 115.563 115.563 120.062 -4.499 18901 11738 1 20 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.825 -0.003 18901 11739 1 20 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.498 -0.609 18901 11740 1 20 . 1 1 27 27 GLU CB C 27 30.830 30.830 30.372 0.458 18901 11741 1 20 . 1 1 27 27 GLU H H 27 8.753 8.753 8.239 0.514 18901 11742 1 20 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.903 -0.564 18901 11743 1 20 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.333 4.214 18901 11744 1 20 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.096 1.045 18901 11745 1 20 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.485 -0.200 18901 11746 1 20 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.368 -1.389 18901 11747 1 20 . 1 1 29 29 PRO CB C 29 32.884 32.884 31.364 1.520 18901 11748 1 20 . 1 1 30 30 SER N N 30 110.838 110.838 119.978 -9.140 18901 11749 1 20 . 1 1 30 30 SER HA H 30 3.910 3.910 4.551 -0.641 18901 11750 1 20 . 1 1 30 30 SER CA C 30 56.967 56.967 58.454 -1.487 18901 11751 1 20 . 1 1 30 30 SER CB C 30 64.771 64.771 63.302 1.469 18901 11752 1 20 . 1 1 30 30 SER H H 30 8.317 8.317 8.512 -0.195 18901 11753 1 20 . 1 1 31 31 VAL N N 31 114.209 114.209 118.816 -4.607 18901 11754 1 20 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.357 -0.149 18901 11755 1 20 . 1 1 31 31 VAL CA C 31 61.780 61.780 62.495 -0.715 18901 11756 1 20 . 1 1 31 31 VAL CB C 31 32.771 32.771 31.799 0.972 18901 11757 1 20 . 1 1 31 31 VAL H H 31 8.320 8.320 7.809 0.511 18901 11758 1 20 . 1 1 32 32 THR N N 32 119.600 119.600 110.834 8.766 18901 11759 1 20 . 1 1 32 32 THR HA H 32 4.179 4.179 4.610 -0.431 18901 11760 1 20 . 1 1 32 32 THR CA C 32 60.465 60.465 60.316 0.149 18901 11761 1 20 . 1 1 32 32 THR CB C 32 63.211 63.211 71.603 -8.392 18901 11762 1 20 . 1 1 32 32 THR H H 32 7.828 7.828 7.744 0.084 18901 11763 1 20 . 1 1 33 33 SER N N 33 115.967 115.967 116.622 -0.655 18901 11764 1 20 . 1 1 33 33 SER HA H 33 4.179 4.179 4.270 -0.091 18901 11765 1 20 . 1 1 33 33 SER C C 33 174.332 174.332 175.755 -1.423 18901 11766 1 20 . 1 1 33 33 SER CA C 33 60.428 60.428 60.112 0.316 18901 11767 1 20 . 1 1 33 33 SER CB C 33 62.209 62.209 63.044 -0.835 18901 11768 1 20 . 1 1 33 33 SER H H 33 8.292 8.292 8.565 -0.273 18901 11769 1 20 . 1 1 34 34 GLY N N 34 106.879 106.879 109.547 -2.668 18901 11770 1 20 . 1 1 34 34 GLY C C 34 173.709 173.709 173.552 0.157 18901 11771 1 20 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.755 -0.384 18901 11772 1 20 . 1 1 34 34 GLY H H 34 7.848 7.848 8.024 -0.176 18901 11773 1 20 . 1 1 35 35 LYS N N 35 122.205 122.205 120.946 1.259 18901 11774 1 20 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.556 -0.246 18901 11775 1 20 . 1 1 35 35 LYS C C 35 176.262 176.262 175.068 1.194 18901 11776 1 20 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.357 0.314 18901 11777 1 20 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.961 1.286 18901 11778 1 20 . 1 1 35 35 LYS H H 35 8.628 8.628 8.411 0.217 18901 11779 1 20 . 1 1 36 36 ILE N N 36 120.178 120.178 121.874 -1.696 18901 11780 1 20 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.189 -0.068 18901 11781 1 20 . 1 1 36 36 ILE C C 36 177.751 177.751 177.059 0.692 18901 11782 1 20 . 1 1 36 36 ILE CA C 36 58.921 58.921 61.600 -2.679 18901 11783 1 20 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.796 -3.484 18901 11784 1 20 . 1 1 36 36 ILE H H 36 8.344 8.344 8.272 0.072 18901 11785 1 20 . 1 1 37 37 ILE N N 37 122.285 122.285 120.879 1.406 18901 11786 1 20 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.494 -0.277 18901 11787 1 20 . 1 1 37 37 ILE C C 37 176.085 176.085 175.644 0.441 18901 11788 1 20 . 1 1 37 37 ILE CA C 37 60.942 60.942 60.684 0.258 18901 11789 1 20 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.007 -0.208 18901 11790 1 20 . 1 1 37 37 ILE H H 37 8.460 8.460 8.637 -0.177 18901 11791 1 20 . 1 1 38 38 GLU N N 38 116.489 116.489 117.765 -1.276 18901 11792 1 20 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.752 -0.583 18901 11793 1 20 . 1 1 38 38 GLU C C 38 171.864 171.864 173.978 -2.114 18901 11794 1 20 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.932 0.044 18901 11795 1 20 . 1 1 38 38 GLU CB C 38 34.480 34.480 32.632 1.848 18901 11796 1 20 . 1 1 38 38 GLU H H 38 7.143 7.143 7.385 -0.242 18901 11797 1 20 . 1 1 39 39 TYR N N 39 118.418 118.418 116.819 1.599 18901 11798 1 20 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.235 0.460 18901 11799 1 20 . 1 1 39 39 TYR C C 39 176.190 176.190 175.009 1.181 18901 11800 1 20 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.028 -0.117 18901 11801 1 20 . 1 1 39 39 TYR CB C 39 43.736 43.736 42.535 1.201 18901 11802 1 20 . 1 1 39 39 TYR H H 39 8.860 8.860 8.405 0.455 18901 11803 1 20 . 1 1 40 40 SER N N 40 111.613 111.613 112.394 -0.781 18901 11804 1 20 . 1 1 40 40 SER HA H 40 5.497 5.497 4.172 1.325 18901 11805 1 20 . 1 1 40 40 SER C C 40 172.888 172.888 171.782 1.106 18901 11806 1 20 . 1 1 40 40 SER CA C 40 58.729 58.729 57.196 1.533 18901 11807 1 20 . 1 1 40 40 SER CB C 40 69.596 69.596 66.029 3.567 18901 11808 1 20 . 1 1 40 40 SER H H 40 8.705 8.705 8.481 0.224 18901 11809 1 20 . 1 1 41 41 VAL N N 41 119.202 119.202 121.149 -1.947 18901 11810 1 20 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.626 0.210 18901 11811 1 20 . 1 1 41 41 VAL C C 41 175.106 175.106 173.975 1.131 18901 11812 1 20 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.265 -0.599 18901 11813 1 20 . 1 1 41 41 VAL CB C 41 34.691 34.691 33.499 1.192 18901 11814 1 20 . 1 1 41 41 VAL H H 41 8.428 8.428 8.099 0.329 18901 11815 1 20 . 1 1 42 42 TYR N N 42 124.792 124.792 124.554 0.238 18901 11816 1 20 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.328 0.168 18901 11817 1 20 . 1 1 42 42 TYR C C 42 174.659 174.659 174.787 -0.128 18901 11818 1 20 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.294 -0.534 18901 11819 1 20 . 1 1 42 42 TYR CB C 42 42.396 42.396 42.305 0.091 18901 11820 1 20 . 1 1 42 42 TYR H H 42 9.773 9.773 9.170 0.603 18901 11821 1 20 . 1 1 43 43 LEU N N 43 123.210 123.210 122.970 0.240 18901 11822 1 20 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.640 0.613 18901 11823 1 20 . 1 1 43 43 LEU C C 43 176.296 176.296 174.713 1.583 18901 11824 1 20 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.089 0.257 18901 11825 1 20 . 1 1 43 43 LEU CB C 43 48.549 48.549 46.319 2.230 18901 11826 1 20 . 1 1 43 43 LEU H H 43 9.368 9.368 8.888 0.480 18901 11827 1 20 . 1 1 44 44 ALA N N 44 127.556 127.556 128.748 -1.192 18901 11828 1 20 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.011 0.313 18901 11829 1 20 . 1 1 44 44 ALA C C 44 178.318 178.318 176.552 1.766 18901 11830 1 20 . 1 1 44 44 ALA CA C 44 51.744 51.744 52.163 -0.419 18901 11831 1 20 . 1 1 44 44 ALA CB C 44 18.649 18.649 18.867 -0.218 18901 11832 1 20 . 1 1 44 44 ALA H H 44 8.366 8.366 8.164 0.202 18901 11833 1 20 . 1 1 45 45 ILE N N 45 119.672 119.672 115.136 4.536 18901 11834 1 20 . 1 1 45 45 ILE HA H 45 4.743 4.743 5.029 -0.286 18901 11835 1 20 . 1 1 45 45 ILE C C 45 175.937 175.937 175.758 0.179 18901 11836 1 20 . 1 1 45 45 ILE CA C 45 60.120 60.120 59.254 0.866 18901 11837 1 20 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.464 0.325 18901 11838 1 20 . 1 1 45 45 ILE H H 45 8.599 8.599 8.239 0.360 18901 11839 1 20 . 1 1 46 46 GLN N N 46 120.248 120.248 121.287 -1.039 18901 11840 1 20 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.405 0.002 18901 11841 1 20 . 1 1 46 46 GLN C C 46 176.355 176.355 175.207 1.148 18901 11842 1 20 . 1 1 46 46 GLN CA C 46 55.814 55.814 57.066 -1.252 18901 11843 1 20 . 1 1 46 46 GLN CB C 46 29.840 29.840 29.251 0.589 18901 11844 1 20 . 1 1 46 46 GLN H H 46 8.207 8.207 8.399 -0.192 18901 11845 1 20 . 1 1 47 47 SER N N 47 117.541 117.541 114.768 2.773 18901 11846 1 20 . 1 1 47 47 SER HA H 47 4.445 4.445 4.255 0.190 18901 11847 1 20 . 1 1 47 47 SER C C 47 175.100 175.100 173.137 1.963 18901 11848 1 20 . 1 1 47 47 SER CA C 47 57.957 57.957 58.804 -0.847 18901 11849 1 20 . 1 1 47 47 SER CB C 47 64.188 64.188 63.271 0.917 18901 11850 1 20 . 1 1 47 47 SER H H 47 8.316 8.316 8.581 -0.265 18901 11851 1 20 . 1 1 48 48 SER N N 48 116.421 116.421 115.470 0.951 18901 11852 1 20 . 1 1 48 48 SER HA H 48 4.446 4.446 4.769 -0.323 18901 11853 1 20 . 1 1 48 48 SER CA C 48 58.395 58.395 57.563 0.832 18901 11854 1 20 . 1 1 48 48 SER CB C 48 63.932 63.932 64.898 -0.966 18901 11855 1 20 . 1 1 48 48 SER H H 48 8.096 8.096 8.209 -0.113 18901 11856 1 20 . 1 1 49 49 GLN N N 49 120.755 120.755 120.043 0.712 18901 11857 1 20 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.482 -0.171 18901 11858 1 20 . 1 1 49 49 GLN C C 49 176.420 176.420 174.458 1.962 18901 11859 1 20 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.356 0.486 18901 11860 1 20 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.707 -0.956 18901 11861 1 20 . 1 1 49 49 GLN H H 49 8.308 8.308 8.372 -0.064 18901 11862 1 20 . 1 1 50 50 ALA N N 50 124.199 124.199 123.001 1.198 18901 11863 1 20 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.407 -0.095 18901 11864 1 20 . 1 1 50 50 ALA C C 50 178.375 178.375 176.573 1.802 18901 11865 1 20 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.620 -0.000 18901 11866 1 20 . 1 1 50 50 ALA CB C 50 19.453 19.453 19.386 0.067 18901 11867 1 20 . 1 1 50 50 ALA H H 50 8.219 8.219 8.450 -0.231 18901 11868 1 20 . 1 1 51 51 SER N N 51 113.652 113.652 113.809 -0.157 18901 11869 1 20 . 1 1 51 51 SER HA H 51 4.307 4.307 4.325 -0.018 18901 11870 1 20 . 1 1 51 51 SER C C 51 175.739 175.739 172.997 2.742 18901 11871 1 20 . 1 1 51 51 SER CA C 51 52.695 52.695 58.729 -6.034 18901 11872 1 20 . 1 1 51 51 SER CB C 51 62.104 62.104 65.146 -3.042 18901 11873 1 20 . 1 1 51 51 SER H H 51 8.148 8.148 8.266 -0.118 18901 11874 1 20 . 1 1 52 52 GLY N N 52 109.442 109.442 112.431 -2.989 18901 11875 1 20 . 1 1 52 52 GLY C C 52 174.511 174.511 173.160 1.351 18901 11876 1 20 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.730 -0.332 18901 11877 1 20 . 1 1 52 52 GLY H H 52 8.267 8.267 8.169 0.098 18901 11878 1 20 . 1 1 53 53 GLU N N 53 120.137 120.137 122.880 -2.743 18901 11879 1 20 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.402 0.151 18901 11880 1 20 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.261 -0.206 18901 11881 1 20 . 1 1 53 53 GLU CB C 53 29.844 29.844 29.647 0.197 18901 11882 1 20 . 1 1 53 53 GLU H H 53 7.951 7.951 8.272 -0.321 18901 11883 1 20 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.317 0.048 18901 11884 1 20 . 1 1 54 54 PRO C C 54 177.830 177.830 176.051 1.779 18901 11885 1 20 . 1 1 54 54 PRO CA C 54 63.710 63.710 64.023 -0.313 18901 11886 1 20 . 1 1 54 54 PRO CB C 54 32.712 32.712 30.765 1.947 18901 11887 1 20 . 1 1 55 55 LYS N N 55 119.406 119.406 119.502 -0.096 18901 11888 1 20 . 1 1 55 55 LYS HA H 55 4.265 4.265 3.762 0.503 18901 11889 1 20 . 1 1 55 55 LYS C C 55 177.347 177.347 177.219 0.128 18901 11890 1 20 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.967 -0.270 18901 11891 1 20 . 1 1 55 55 LYS CB C 55 33.246 33.246 29.724 3.522 18901 11892 1 20 . 1 1 55 55 LYS H H 55 8.315 8.315 8.321 -0.006 18901 11893 1 20 . 1 1 56 56 SER N N 56 114.624 114.624 117.266 -2.642 18901 11894 1 20 . 1 1 56 56 SER HA H 56 4.564 4.564 4.100 0.464 18901 11895 1 20 . 1 1 56 56 SER C C 56 175.285 175.285 175.067 0.218 18901 11896 1 20 . 1 1 56 56 SER CA C 56 60.090 60.090 61.068 -0.978 18901 11897 1 20 . 1 1 56 56 SER CB C 56 63.305 63.305 63.423 -0.118 18901 11898 1 20 . 1 1 56 56 SER H H 56 8.090 8.090 8.075 0.015 18901 11899 1 20 . 1 1 57 57 SER N N 57 116.016 116.016 111.573 4.443 18901 11900 1 20 . 1 1 57 57 SER HA H 57 4.455 4.455 4.210 0.245 18901 11901 1 20 . 1 1 57 57 SER C C 57 174.988 174.988 173.649 1.339 18901 11902 1 20 . 1 1 57 57 SER CA C 57 58.332 58.332 59.274 -0.942 18901 11903 1 20 . 1 1 57 57 SER CB C 57 63.876 63.876 62.278 1.598 18901 11904 1 20 . 1 1 57 57 SER H H 57 8.224 8.224 8.639 -0.415 18901 11905 1 20 . 1 1 58 58 THR N N 58 116.090 116.090 116.549 -0.459 18901 11906 1 20 . 1 1 58 58 THR HA H 58 4.602 4.602 4.718 -0.116 18901 11907 1 20 . 1 1 58 58 THR CA C 58 59.935 59.935 58.548 1.387 18901 11908 1 20 . 1 1 58 58 THR CB C 58 69.773 69.773 69.819 -0.046 18901 11909 1 20 . 1 1 58 58 THR H H 58 7.939 7.939 7.433 0.506 18901 11910 1 20 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.525 -0.244 18901 11911 1 20 . 1 1 59 59 PRO C C 59 177.272 177.272 176.192 1.080 18901 11912 1 20 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.738 -0.662 18901 11913 1 20 . 1 1 59 59 PRO CB C 59 32.778 32.778 32.159 0.619 18901 11914 1 20 . 1 1 60 60 ALA N N 60 122.319 122.319 119.147 3.172 18901 11915 1 20 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.079 0.140 18901 11916 1 20 . 1 1 60 60 ALA C C 60 178.277 178.277 177.298 0.979 18901 11917 1 20 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.849 -0.349 18901 11918 1 20 . 1 1 60 60 ALA CB C 60 19.459 19.459 17.342 2.117 18901 11919 1 20 . 1 1 60 60 ALA H H 60 8.156 8.156 8.130 0.026 18901 11920 1 20 . 1 1 61 61 GLN N N 61 117.680 117.680 117.733 -0.053 18901 11921 1 20 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.074 0.204 18901 11922 1 20 . 1 1 61 61 GLN C C 61 176.148 176.148 175.585 0.563 18901 11923 1 20 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.623 -0.098 18901 11924 1 20 . 1 1 61 61 GLN CB C 61 30.044 30.044 29.279 0.765 18901 11925 1 20 . 1 1 61 61 GLN H H 61 8.016 8.016 8.125 -0.109 18901 11926 1 20 . 1 1 62 62 LEU N N 62 121.805 121.805 118.720 3.085 18901 11927 1 20 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.541 -0.412 18901 11928 1 20 . 1 1 62 62 LEU C C 62 176.202 176.202 175.947 0.255 18901 11929 1 20 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.271 1.303 18901 11930 1 20 . 1 1 62 62 LEU CB C 62 43.290 43.290 42.610 0.680 18901 11931 1 20 . 1 1 62 62 LEU H H 62 7.968 7.968 8.066 -0.098 18901 11932 1 20 . 1 1 63 63 ALA N N 63 124.947 124.947 121.579 3.368 18901 11933 1 20 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.616 -0.120 18901 11934 1 20 . 1 1 63 63 ALA C C 63 176.252 176.252 176.042 0.210 18901 11935 1 20 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.952 -1.154 18901 11936 1 20 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.178 0.468 18901 11937 1 20 . 1 1 63 63 ALA H H 63 8.434 8.434 8.009 0.425 18901 11938 1 20 . 1 1 64 64 PHE N N 64 117.099 117.099 120.413 -3.314 18901 11939 1 20 . 1 1 64 64 PHE HA H 64 5.084 5.084 4.949 0.135 18901 11940 1 20 . 1 1 64 64 PHE C C 64 176.403 176.403 174.803 1.600 18901 11941 1 20 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.030 2.703 18901 11942 1 20 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.336 0.474 18901 11943 1 20 . 1 1 64 64 PHE H H 64 8.446 8.446 8.324 0.122 18901 11944 1 20 . 1 1 65 65 MET N N 65 120.470 120.470 120.622 -0.152 18901 11945 1 20 . 1 1 65 65 MET HA H 65 4.902 4.902 4.862 0.040 18901 11946 1 20 . 1 1 65 65 MET CA C 65 53.984 53.984 54.916 -0.932 18901 11947 1 20 . 1 1 65 65 MET CB C 65 36.825 36.825 35.843 0.983 18901 11948 1 20 . 1 1 65 65 MET H H 65 9.050 9.050 9.122 -0.072 18901 11949 1 20 . 1 1 66 66 ARG N N 66 120.685 120.685 127.913 -7.228 18901 11950 1 20 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.414 -0.271 18901 11951 1 20 . 1 1 66 66 ARG C C 66 176.916 176.916 175.500 1.416 18901 11952 1 20 . 1 1 66 66 ARG CA C 66 57.962 57.962 55.232 2.730 18901 11953 1 20 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.608 2.464 18901 11954 1 20 . 1 1 66 66 ARG H H 66 7.540 7.540 8.714 -1.174 18901 11955 1 20 . 1 1 67 67 VAL N N 67 117.677 117.677 119.184 -1.507 18901 11956 1 20 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.975 0.739 18901 11957 1 20 . 1 1 67 67 VAL C C 67 175.777 175.777 175.347 0.430 18901 11958 1 20 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.177 -2.258 18901 11959 1 20 . 1 1 67 67 VAL CB C 67 33.414 33.414 30.949 2.465 18901 11960 1 20 . 1 1 67 67 VAL H H 67 8.859 8.859 8.155 0.704 18901 11961 1 20 . 1 1 68 68 TYR N N 68 120.707 120.707 120.322 0.385 18901 11962 1 20 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.523 0.254 18901 11963 1 20 . 1 1 68 68 TYR C C 68 173.712 173.712 176.268 -2.556 18901 11964 1 20 . 1 1 68 68 TYR CA C 68 58.305 58.305 58.477 -0.172 18901 11965 1 20 . 1 1 68 68 TYR CB C 68 43.056 43.056 40.063 2.993 18901 11966 1 20 . 1 1 68 68 TYR H H 68 7.539 7.539 7.491 0.048 18901 11967 1 20 . 1 1 69 69 CYS N N 69 127.927 127.927 116.817 11.110 18901 11968 1 20 . 1 1 69 69 CYS HA H 69 5.069 5.069 3.759 1.310 18901 11969 1 20 . 1 1 69 69 CYS C C 69 174.094 174.094 175.031 -0.937 18901 11970 1 20 . 1 1 69 69 CYS CA C 69 57.190 57.190 59.022 -1.832 18901 11971 1 20 . 1 1 69 69 CYS CB C 69 27.990 27.990 26.543 1.447 18901 11972 1 20 . 1 1 69 69 CYS H H 69 7.601 7.601 7.848 -0.247 18901 11973 1 20 . 1 1 70 70 GLY N N 70 114.822 114.822 108.894 5.928 18901 11974 1 20 . 1 1 70 70 GLY CA C 70 46.146 46.146 44.147 1.999 18901 11975 1 20 . 1 1 70 70 GLY H H 70 8.336 8.336 7.640 0.696 18901 11976 1 20 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.351 0.197 18901 11977 1 20 . 1 1 71 71 PRO CB C 71 32.664 32.664 31.932 0.732 18901 11978 1 20 . 1 1 72 72 SER N N 72 112.451 112.451 113.588 -1.137 18901 11979 1 20 . 1 1 72 72 SER HA H 72 4.850 4.850 4.814 0.036 18901 11980 1 20 . 1 1 72 72 SER CA C 72 56.874 56.874 55.464 1.410 18901 11981 1 20 . 1 1 72 72 SER CB C 72 63.248 63.248 64.265 -1.017 18901 11982 1 20 . 1 1 72 72 SER H H 72 7.327 7.327 7.442 -0.115 18901 11983 1 20 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.886 -0.693 18901 11984 1 20 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.185 0.370 18901 11985 1 20 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.330 -0.093 18901 11986 1 20 . 1 1 74 74 SER N N 74 111.450 111.450 111.110 0.340 18901 11987 1 20 . 1 1 74 74 SER HA H 74 3.907 3.907 2.711 1.196 18901 11988 1 20 . 1 1 74 74 SER CA C 74 56.710 56.710 58.629 -1.919 18901 11989 1 20 . 1 1 74 74 SER CB C 74 64.647 64.647 61.406 3.241 18901 11990 1 20 . 1 1 74 74 SER H H 74 6.909 6.909 8.119 -1.210 18901 11991 1 20 . 1 1 75 75 CYS N N 75 124.103 124.103 118.122 5.981 18901 11992 1 20 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.373 -0.814 18901 11993 1 20 . 1 1 75 75 CYS C C 75 171.568 171.568 175.530 -3.962 18901 11994 1 20 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.154 4.045 18901 11995 1 20 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.875 -2.624 18901 11996 1 20 . 1 1 75 75 CYS H H 75 6.017 6.017 7.868 -1.851 18901 11997 1 20 . 1 1 76 76 LEU N N 76 121.191 121.191 119.457 1.734 18901 11998 1 20 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.726 0.097 18901 11999 1 20 . 1 1 76 76 LEU C C 76 176.786 176.786 176.169 0.617 18901 12000 1 20 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.813 -1.448 18901 12001 1 20 . 1 1 76 76 LEU CB C 76 44.226 44.226 42.708 1.518 18901 12002 1 20 . 1 1 76 76 LEU H H 76 8.015 8.015 7.876 0.139 18901 12003 1 20 . 1 1 77 77 VAL N N 77 126.347 126.347 119.701 6.646 18901 12004 1 20 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.478 -0.226 18901 12005 1 20 . 1 1 77 77 VAL C C 77 175.529 175.529 175.100 0.429 18901 12006 1 20 . 1 1 77 77 VAL CA C 77 61.651 61.651 60.457 1.194 18901 12007 1 20 . 1 1 77 77 VAL CB C 77 32.676 32.676 35.942 -3.266 18901 12008 1 20 . 1 1 77 77 VAL H H 77 9.084 9.084 8.198 0.886 18901 12009 1 20 . 1 1 78 78 GLN N N 78 124.566 124.566 127.711 -3.145 18901 12010 1 20 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.267 0.248 18901 12011 1 20 . 1 1 78 78 GLN C C 78 178.805 178.805 176.901 1.904 18901 12012 1 20 . 1 1 78 78 GLN CA C 78 56.916 56.916 57.002 -0.086 18901 12013 1 20 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.161 1.237 18901 12014 1 20 . 1 1 78 78 GLN H H 78 8.908 8.908 8.724 0.184 18901 12015 1 20 . 1 1 79 79 SER N N 79 116.974 116.974 120.671 -3.697 18901 12016 1 20 . 1 1 79 79 SER HA H 79 4.087 4.087 4.106 -0.019 18901 12017 1 20 . 1 1 79 79 SER C C 79 177.179 177.179 176.053 1.126 18901 12018 1 20 . 1 1 79 79 SER CA C 79 62.454 62.454 61.273 1.181 18901 12019 1 20 . 1 1 79 79 SER CB C 79 62.787 62.787 63.008 -0.221 18901 12020 1 20 . 1 1 79 79 SER H H 79 8.458 8.458 8.833 -0.375 18901 12021 1 20 . 1 1 80 80 SER N N 80 114.734 114.734 117.346 -2.612 18901 12022 1 20 . 1 1 80 80 SER HA H 80 4.211 4.211 4.171 0.040 18901 12023 1 20 . 1 1 80 80 SER C C 80 177.853 177.853 176.631 1.222 18901 12024 1 20 . 1 1 80 80 SER CA C 80 61.190 61.190 61.223 -0.033 18901 12025 1 20 . 1 1 80 80 SER CB C 80 62.358 62.358 62.632 -0.274 18901 12026 1 20 . 1 1 80 80 SER H H 80 8.537 8.537 8.352 0.185 18901 12027 1 20 . 1 1 81 81 SER N N 81 117.137 117.137 117.448 -0.311 18901 12028 1 20 . 1 1 81 81 SER HA H 81 4.455 4.455 4.320 0.135 18901 12029 1 20 . 1 1 81 81 SER C C 81 175.702 175.702 176.430 -0.728 18901 12030 1 20 . 1 1 81 81 SER CA C 81 61.433 61.433 60.401 1.032 18901 12031 1 20 . 1 1 81 81 SER CB C 81 63.130 63.130 62.982 0.148 18901 12032 1 20 . 1 1 81 81 SER H H 81 7.514 7.514 7.743 -0.229 18901 12033 1 20 . 1 1 82 82 LEU N N 82 117.548 117.548 121.771 -4.223 18901 12034 1 20 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.121 -0.088 18901 12035 1 20 . 1 1 82 82 LEU C C 82 179.445 179.445 179.209 0.236 18901 12036 1 20 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.317 -0.615 18901 12037 1 20 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.843 -0.055 18901 12038 1 20 . 1 1 82 82 LEU H H 82 7.629 7.629 7.348 0.281 18901 12039 1 20 . 1 1 83 83 SER N N 83 113.258 113.258 114.888 -1.630 18901 12040 1 20 . 1 1 83 83 SER HA H 83 4.214 4.214 4.199 0.015 18901 12041 1 20 . 1 1 83 83 SER C C 83 175.256 175.256 175.528 -0.272 18901 12042 1 20 . 1 1 83 83 SER CA C 83 61.192 61.192 60.649 0.543 18901 12043 1 20 . 1 1 83 83 SER CB C 83 63.544 63.544 63.266 0.278 18901 12044 1 20 . 1 1 83 83 SER H H 83 7.805 7.805 8.479 -0.674 18901 12045 1 20 . 1 1 84 84 ASN N N 84 116.565 116.565 117.840 -1.275 18901 12046 1 20 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.725 0.197 18901 12047 1 20 . 1 1 84 84 ASN C C 84 175.063 175.063 174.322 0.741 18901 12048 1 20 . 1 1 84 84 ASN CA C 84 52.672 52.672 54.221 -1.549 18901 12049 1 20 . 1 1 84 84 ASN CB C 84 39.691 39.691 38.978 0.713 18901 12050 1 20 . 1 1 84 84 ASN H H 84 7.612 7.612 7.471 0.141 18901 12051 1 20 . 1 1 85 85 ALA N N 85 119.819 119.819 120.624 -0.805 18901 12052 1 20 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.783 -0.534 18901 12053 1 20 . 1 1 85 85 ALA C C 85 178.113 178.113 176.348 1.765 18901 12054 1 20 . 1 1 85 85 ALA CA C 85 53.065 53.065 50.612 2.453 18901 12055 1 20 . 1 1 85 85 ALA CB C 85 19.820 19.820 20.314 -0.494 18901 12056 1 20 . 1 1 85 85 ALA H H 85 7.558 7.558 7.097 0.461 18901 12057 1 20 . 1 1 86 86 HIS N N 86 118.388 118.388 122.700 -4.312 18901 12058 1 20 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.660 -0.255 18901 12059 1 20 . 1 1 86 86 HIS C C 86 175.333 175.333 174.930 0.403 18901 12060 1 20 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.404 0.215 18901 12061 1 20 . 1 1 86 86 HIS CB C 86 29.198 29.198 30.380 -1.182 18901 12062 1 20 . 1 1 86 86 HIS H H 86 8.280 8.280 8.226 0.054 18901 12063 1 20 . 1 1 87 87 ILE N N 87 126.618 126.618 125.705 0.913 18901 12064 1 20 . 1 1 87 87 ILE HA H 87 4.055 4.055 3.926 0.129 18901 12065 1 20 . 1 1 87 87 ILE C C 87 174.718 174.718 175.913 -1.195 18901 12066 1 20 . 1 1 87 87 ILE CA C 87 59.427 59.427 60.641 -1.214 18901 12067 1 20 . 1 1 87 87 ILE CB C 87 37.442 37.442 37.934 -0.492 18901 12068 1 20 . 1 1 87 87 ILE H H 87 7.873 7.873 8.511 -0.638 18901 12069 1 20 . 1 1 88 88 ASP N N 88 124.684 124.684 125.099 -0.415 18901 12070 1 20 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.924 -0.412 18901 12071 1 20 . 1 1 88 88 ASP C C 88 176.506 176.506 174.664 1.842 18901 12072 1 20 . 1 1 88 88 ASP CA C 88 53.237 53.237 53.227 0.010 18901 12073 1 20 . 1 1 88 88 ASP CB C 88 43.761 43.761 42.432 1.329 18901 12074 1 20 . 1 1 88 88 ASP H H 88 8.572 8.572 8.746 -0.174 18901 12075 1 20 . 1 1 89 89 TYR N N 89 122.959 122.959 119.933 3.026 18901 12076 1 20 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.931 -0.552 18901 12077 1 20 . 1 1 89 89 TYR C C 89 176.631 176.631 175.352 1.279 18901 12078 1 20 . 1 1 89 89 TYR CA C 89 58.629 58.629 56.623 2.006 18901 12079 1 20 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.283 0.179 18901 12080 1 20 . 1 1 89 89 TYR H H 89 8.533 8.533 8.275 0.258 18901 12081 1 20 . 1 1 90 90 THR N N 90 115.232 115.232 116.483 -1.251 18901 12082 1 20 . 1 1 90 90 THR HA H 90 3.974 3.974 4.260 -0.286 18901 12083 1 20 . 1 1 90 90 THR C C 90 176.298 176.298 175.306 0.992 18901 12084 1 20 . 1 1 90 90 THR CA C 90 65.610 65.610 63.127 2.483 18901 12085 1 20 . 1 1 90 90 THR CB C 90 68.758 68.758 68.955 -0.197 18901 12086 1 20 . 1 1 90 90 THR H H 90 8.024 8.024 8.861 -0.837 18901 12087 1 20 . 1 1 91 91 THR N N 91 112.253 112.253 111.469 0.784 18901 12088 1 20 . 1 1 91 91 THR HA H 91 4.290 4.290 4.412 -0.122 18901 12089 1 20 . 1 1 91 91 THR C C 91 174.644 174.644 173.957 0.687 18901 12090 1 20 . 1 1 91 91 THR CA C 91 61.288 61.288 61.956 -0.668 18901 12091 1 20 . 1 1 91 91 THR CB C 91 69.418 69.418 69.841 -0.423 18901 12092 1 20 . 1 1 91 91 THR H H 91 8.013 8.013 8.101 -0.088 18901 12093 1 20 . 1 1 92 92 LYS N N 92 121.833 121.833 123.038 -1.205 18901 12094 1 20 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.830 -0.371 18901 12095 1 20 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.191 1.241 18901 12096 1 20 . 1 1 92 92 LYS CB C 92 29.423 29.423 33.566 -4.143 18901 12097 1 20 . 1 1 92 92 LYS H H 92 7.883 7.883 8.031 -0.148 18901 12098 1 20 . 1 1 93 93 PRO HA H 93 4.211 4.211 3.417 0.794 18901 12099 1 20 . 1 1 93 93 PRO C C 93 176.775 176.775 174.787 1.988 18901 12100 1 20 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.167 1.218 18901 12101 1 20 . 1 1 93 93 PRO CB C 93 32.214 32.214 31.434 0.780 18901 12102 1 20 . 1 1 94 94 ALA N N 94 122.487 122.487 125.478 -2.991 18901 12103 1 20 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.825 0.040 18901 12104 1 20 . 1 1 94 94 ALA C C 94 175.790 175.790 175.700 0.090 18901 12105 1 20 . 1 1 94 94 ALA CA C 94 51.011 51.011 49.565 1.446 18901 12106 1 20 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.627 0.213 18901 12107 1 20 . 1 1 94 94 ALA H H 94 8.072 8.072 7.525 0.547 18901 12108 1 20 . 1 1 95 95 ILE N N 95 120.526 120.526 122.871 -2.345 18901 12109 1 20 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.228 0.063 18901 12110 1 20 . 1 1 95 95 ILE C C 95 175.063 175.063 175.199 -0.136 18901 12111 1 20 . 1 1 95 95 ILE CA C 95 60.430 60.430 60.578 -0.148 18901 12112 1 20 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.513 1.143 18901 12113 1 20 . 1 1 95 95 ILE H H 95 8.099 8.099 8.380 -0.281 18901 12114 1 20 . 1 1 96 96 ILE N N 96 126.053 126.053 126.566 -0.513 18901 12115 1 20 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.535 0.419 18901 12116 1 20 . 1 1 96 96 ILE C C 96 175.609 175.609 175.264 0.345 18901 12117 1 20 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.196 1.094 18901 12118 1 20 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.575 2.324 18901 12119 1 20 . 1 1 96 96 ILE H H 96 9.393 9.393 8.484 0.909 18901 12120 1 20 . 1 1 97 97 PHE N N 97 120.455 120.455 126.237 -5.782 18901 12121 1 20 . 1 1 97 97 PHE HA H 97 6.017 6.017 5.093 0.924 18901 12122 1 20 . 1 1 97 97 PHE C C 97 177.044 177.044 174.954 2.090 18901 12123 1 20 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.599 -0.830 18901 12124 1 20 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.930 0.756 18901 12125 1 20 . 1 1 97 97 PHE H H 97 8.626 8.626 8.667 -0.041 18901 12126 1 20 . 1 1 98 98 ARG N N 98 117.253 117.253 122.760 -5.507 18901 12127 1 20 . 1 1 98 98 ARG HA H 98 5.441 5.441 5.181 0.260 18901 12128 1 20 . 1 1 98 98 ARG C C 98 176.125 176.125 175.022 1.103 18901 12129 1 20 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.738 0.225 18901 12130 1 20 . 1 1 98 98 ARG CB C 98 35.621 35.621 32.391 3.231 18901 12131 1 20 . 1 1 98 98 ARG H H 98 9.041 9.041 8.654 0.387 18901 12132 1 20 . 1 1 99 99 ILE N N 99 120.894 120.894 123.257 -2.363 18901 12133 1 20 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.739 0.280 18901 12134 1 20 . 1 1 99 99 ILE C C 99 174.486 174.486 173.875 0.611 18901 12135 1 20 . 1 1 99 99 ILE CA C 99 60.934 60.934 59.935 0.999 18901 12136 1 20 . 1 1 99 99 ILE CB C 99 41.415 41.415 42.016 -0.601 18901 12137 1 20 . 1 1 99 99 ILE H H 99 8.499 8.499 8.197 0.302 18901 12138 1 20 . 1 1 100 100 ALA N N 100 127.368 127.368 127.350 0.018 18901 12139 1 20 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.881 0.007 18901 12140 1 20 . 1 1 100 100 ALA C C 100 175.044 175.044 174.818 0.226 18901 12141 1 20 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.846 0.510 18901 12142 1 20 . 1 1 100 100 ALA CB C 100 24.590 24.590 23.263 1.327 18901 12143 1 20 . 1 1 100 100 ALA H H 100 8.779 8.779 8.054 0.725 18901 12144 1 20 . 1 1 101 101 ALA N N 101 123.472 123.472 121.794 1.678 18901 12145 1 20 . 1 1 101 101 ALA HA H 101 5.118 5.118 4.421 0.697 18901 12146 1 20 . 1 1 101 101 ALA C C 101 174.314 174.314 176.422 -2.108 18901 12147 1 20 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.711 -0.143 18901 12148 1 20 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.926 4.695 18901 12149 1 20 . 1 1 101 101 ALA H H 101 9.955 9.955 8.613 1.342 18901 12150 1 20 . 1 1 102 102 ARG N N 102 119.295 119.295 126.093 -6.798 18901 12151 1 20 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.748 0.843 18901 12152 1 20 . 1 1 102 102 ARG C C 102 176.649 176.649 174.846 1.803 18901 12153 1 20 . 1 1 102 102 ARG CA C 102 54.071 54.071 55.019 -0.948 18901 12154 1 20 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.611 3.559 18901 12155 1 20 . 1 1 102 102 ARG H H 102 8.474 8.474 8.369 0.105 18901 12156 1 20 . 1 1 103 103 ASN N N 103 124.198 124.198 122.450 1.748 18901 12157 1 20 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.354 0.100 18901 12158 1 20 . 1 1 103 103 ASN C C 103 176.327 176.327 176.138 0.189 18901 12159 1 20 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.365 -0.061 18901 12160 1 20 . 1 1 103 103 ASN CB C 103 39.659 39.659 41.725 -2.066 18901 12161 1 20 . 1 1 103 103 ASN H H 103 7.816 7.816 7.968 -0.152 18901 12162 1 20 . 1 1 104 104 GLU N N 104 115.270 115.270 120.124 -4.854 18901 12163 1 20 . 1 1 104 104 GLU HA H 104 3.853 3.853 3.934 -0.081 18901 12164 1 20 . 1 1 104 104 GLU C C 104 177.716 177.716 177.370 0.346 18901 12165 1 20 . 1 1 104 104 GLU CA C 104 59.905 59.905 59.000 0.905 18901 12166 1 20 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.315 -0.151 18901 12167 1 20 . 1 1 104 104 GLU H H 104 9.416 9.416 8.629 0.787 18901 12168 1 20 . 1 1 105 105 LYS N N 105 116.576 116.576 116.635 -0.059 18901 12169 1 20 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.041 0.221 18901 12170 1 20 . 1 1 105 105 LYS C C 105 177.667 177.667 176.560 1.107 18901 12171 1 20 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.962 0.093 18901 12172 1 20 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.606 0.445 18901 12173 1 20 . 1 1 105 105 LYS H H 105 7.737 7.737 7.982 -0.245 18901 12174 1 20 . 1 1 106 106 GLY N N 106 104.067 104.067 104.404 -0.337 18901 12175 1 20 . 1 1 106 106 GLY C C 106 172.796 172.796 173.071 -0.275 18901 12176 1 20 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.755 1.161 18901 12177 1 20 . 1 1 106 106 GLY H H 106 7.906 7.906 7.400 0.506 18901 12178 1 20 . 1 1 107 107 TYR N N 107 117.296 117.296 121.430 -4.134 18901 12179 1 20 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.586 0.163 18901 12180 1 20 . 1 1 107 107 TYR C C 107 178.772 178.772 176.344 2.428 18901 12181 1 20 . 1 1 107 107 TYR CA C 107 59.800 59.800 58.395 1.405 18901 12182 1 20 . 1 1 107 107 TYR CB C 107 40.566 40.566 38.985 1.581 18901 12183 1 20 . 1 1 107 107 TYR H H 107 8.378 8.378 8.707 -0.329 18901 12184 1 20 . 1 1 108 108 GLY N N 108 107.379 107.379 106.109 1.270 18901 12185 1 20 . 1 1 108 108 GLY CA C 108 44.262 44.262 44.535 -0.273 18901 12186 1 20 . 1 1 108 108 GLY H H 108 8.651 8.651 7.972 0.679 18901 12187 1 20 . 1 1 109 109 PRO CA C 109 61.945 61.945 63.054 -1.109 18901 12188 1 20 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.867 0.004 18901 12189 1 20 . 1 1 110 110 ALA C C 110 179.404 179.404 177.773 1.631 18901 12190 1 20 . 1 1 110 110 ALA CA C 110 50.268 50.268 50.221 0.047 18901 12191 1 20 . 1 1 110 110 ALA CB C 110 20.115 20.115 20.728 -0.613 18901 12192 1 20 . 1 1 111 111 THR N N 111 118.432 118.432 116.310 2.122 18901 12193 1 20 . 1 1 111 111 THR HA H 111 4.396 4.396 4.285 0.111 18901 12194 1 20 . 1 1 111 111 THR C C 111 173.449 173.449 174.476 -1.027 18901 12195 1 20 . 1 1 111 111 THR CA C 111 61.721 61.721 62.204 -0.483 18901 12196 1 20 . 1 1 111 111 THR CB C 111 69.967 69.967 69.686 0.281 18901 12197 1 20 . 1 1 111 111 THR H H 111 8.810 8.810 8.431 0.379 18901 12198 1 20 . 1 1 112 112 GLN N N 112 127.590 127.590 125.308 2.282 18901 12199 1 20 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.626 0.711 18901 12200 1 20 . 1 1 112 112 GLN C C 112 175.442 175.442 174.523 0.919 18901 12201 1 20 . 1 1 112 112 GLN CA C 112 54.803 54.803 54.799 0.004 18901 12202 1 20 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.026 2.727 18901 12203 1 20 . 1 1 112 112 GLN H H 112 8.698 8.698 8.681 0.017 18901 12204 1 20 . 1 1 113 113 VAL N N 113 123.646 123.646 125.520 -1.874 18901 12205 1 20 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.220 0.354 18901 12206 1 20 . 1 1 113 113 VAL C C 113 173.891 173.891 174.793 -0.902 18901 12207 1 20 . 1 1 113 113 VAL CA C 113 60.284 60.284 62.474 -2.190 18901 12208 1 20 . 1 1 113 113 VAL CB C 113 36.064 36.064 33.431 2.633 18901 12209 1 20 . 1 1 113 113 VAL H H 113 9.101 9.101 8.689 0.412 18901 12210 1 20 . 1 1 114 114 ARG N N 114 122.944 122.944 123.589 -0.645 18901 12211 1 20 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.259 -0.326 18901 12212 1 20 . 1 1 114 114 ARG C C 114 175.683 175.683 175.083 0.600 18901 12213 1 20 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.173 0.576 18901 12214 1 20 . 1 1 114 114 ARG CB C 114 32.053 32.053 33.086 -1.033 18901 12215 1 20 . 1 1 114 114 ARG H H 114 8.434 8.434 8.489 -0.055 18901 12216 1 20 . 1 1 115 115 TRP N N 115 126.067 126.067 124.986 1.081 18901 12217 1 20 . 1 1 115 115 TRP HA H 115 5.257 5.257 5.169 0.088 18901 12218 1 20 . 1 1 115 115 TRP CA C 115 54.521 54.521 54.450 0.071 18901 12219 1 20 . 1 1 115 115 TRP CB C 115 30.048 30.048 29.389 0.659 18901 12220 1 20 . 1 1 115 115 TRP H H 115 9.944 9.944 8.591 1.353 18901 12221 1 20 . 1 1 116 116 LEU N N 116 130.031 130.031 125.157 4.874 18901 12222 1 20 . 1 1 116 116 LEU HA H 116 4.263 4.263 3.988 0.275 18901 12223 1 20 . 1 1 116 116 LEU CA C 116 55.697 55.697 56.779 -1.082 18901 12224 1 20 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.700 0.027 18901 12225 1 20 . 1 1 116 116 LEU H H 116 8.722 8.722 8.252 0.470 18901 12226 1 20 . 1 1 117 117 GLN N N 117 124.737 124.737 116.983 7.754 18901 12227 1 20 . 1 1 117 117 GLN HA H 117 4.048 4.048 4.190 -0.142 18901 12228 1 20 . 1 1 117 117 GLN CA C 117 57.436 57.436 55.286 2.150 18901 12229 1 20 . 1 1 117 117 GLN CB C 117 31.668 31.668 27.854 3.814 18901 12230 1 20 . 1 1 117 117 GLN H H 117 7.453 7.453 7.883 -0.430 18901 12231 1 20 . 1 1 118 118 GLU N N 118 118.531 118.531 120.619 -2.088 18901 12232 1 20 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.170 0.225 18901 12233 1 20 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.935 -2.253 18901 12234 1 20 . 1 1 118 118 GLU CB C 118 29.372 29.372 28.230 1.143 18901 12235 1 20 . 1 1 118 118 GLU H H 118 7.891 7.891 7.259 0.632 18901 12236 1 20 . 1 1 119 119 THR N N 119 121.831 121.831 118.404 3.427 18901 12237 1 20 . 1 1 119 119 THR HA H 119 4.267 4.267 4.332 -0.065 18901 12238 1 20 . 1 1 119 119 THR CA C 119 55.604 55.604 61.066 -5.462 18901 12239 1 20 . 1 1 119 119 THR CB C 119 69.285 69.285 70.583 -1.298 18901 12240 1 20 . 1 1 119 119 THR H H 119 7.892 7.892 7.833 0.059 18901 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 102 3.535 0.482 3.520 18901 2 1 1 "Average Difference" HA 105 0.467 -0.034 0.468 18901 3 1 1 "Average Difference" C 85 1.265 -0.607 1.117 18901 4 1 1 "Average Difference" CA 113 5.725 0.540 5.725 18901 5 1 1 "Average Difference" CB 105 2.128 -0.355 2.108 18901 6 1 1 "Average Difference" HN 102 0.632 -0.073 0.631 18901 7 1 2 "Average Difference" N 102 3.238 0.754 3.165 18901 8 1 2 "Average Difference" HA 105 0.424 0.002 0.426 18901 9 1 2 "Average Difference" C 85 1.315 -0.609 1.173 18901 10 1 2 "Average Difference" CA 113 5.743 0.647 5.732 18901 11 1 2 "Average Difference" CB 105 1.953 -0.202 1.952 18901 12 1 2 "Average Difference" HN 102 0.545 0.030 0.546 18901 13 1 3 "Average Difference" N 102 3.536 1.102 3.376 18901 14 1 3 "Average Difference" HA 105 0.412 -0.030 0.412 18901 15 1 3 "Average Difference" C 85 1.314 -0.617 1.167 18901 16 1 3 "Average Difference" CA 113 5.727 0.519 5.729 18901 17 1 3 "Average Difference" CB 105 1.959 -0.361 1.935 18901 18 1 3 "Average Difference" HN 102 0.586 -0.031 0.588 18901 19 1 4 "Average Difference" N 102 3.621 0.605 3.588 18901 20 1 4 "Average Difference" HA 105 0.402 -0.000 0.404 18901 21 1 4 "Average Difference" C 85 1.281 -0.645 1.114 18901 22 1 4 "Average Difference" CA 113 5.721 0.548 5.720 18901 23 1 4 "Average Difference" CB 105 1.878 -0.255 1.869 18901 24 1 4 "Average Difference" HN 102 0.586 -0.053 0.587 18901 25 1 5 "Average Difference" N 102 3.352 0.701 3.294 18901 26 1 5 "Average Difference" HA 105 0.444 -0.038 0.445 18901 27 1 5 "Average Difference" C 85 1.109 -0.477 1.008 18901 28 1 5 "Average Difference" CA 113 5.696 0.584 5.691 18901 29 1 5 "Average Difference" CB 105 2.100 -0.398 2.072 18901 30 1 5 "Average Difference" HN 102 0.595 -0.032 0.597 18901 31 1 6 "Average Difference" N 102 3.287 0.670 3.234 18901 32 1 6 "Average Difference" HA 105 0.453 -0.073 0.449 18901 33 1 6 "Average Difference" C 85 1.307 -0.605 1.165 18901 34 1 6 "Average Difference" CA 113 5.747 0.562 5.745 18901 35 1 6 "Average Difference" CB 105 2.095 -0.346 2.076 18901 36 1 6 "Average Difference" HN 102 0.562 -0.122 0.552 18901 37 1 7 "Average Difference" N 102 3.308 0.884 3.204 18901 38 1 7 "Average Difference" HA 105 0.455 -0.028 0.456 18901 39 1 7 "Average Difference" C 85 1.303 -0.581 1.173 18901 40 1 7 "Average Difference" CA 113 5.700 0.535 5.700 18901 41 1 7 "Average Difference" CB 105 1.828 -0.315 1.809 18901 42 1 7 "Average Difference" HN 102 0.553 -0.050 0.554 18901 43 1 8 "Average Difference" N 102 3.225 1.141 3.031 18901 44 1 8 "Average Difference" HA 105 0.435 -0.068 0.432 18901 45 1 8 "Average Difference" C 85 1.250 -0.475 1.163 18901 46 1 8 "Average Difference" CA 113 5.730 0.657 5.718 18901 47 1 8 "Average Difference" CB 105 2.024 -0.580 1.948 18901 48 1 8 "Average Difference" HN 102 0.503 -0.048 0.503 18901 49 1 9 "Average Difference" N 102 3.596 0.724 3.540 18901 50 1 9 "Average Difference" HA 105 0.413 -0.037 0.413 18901 51 1 9 "Average Difference" C 85 1.367 -0.619 1.226 18901 52 1 9 "Average Difference" CA 113 5.684 0.582 5.679 18901 53 1 9 "Average Difference" CB 105 2.050 -0.396 2.021 18901 54 1 9 "Average Difference" HN 102 0.569 -0.053 0.569 18901 55 1 10 "Average Difference" N 102 3.278 0.378 3.272 18901 56 1 10 "Average Difference" HA 105 0.459 -0.047 0.459 18901 57 1 10 "Average Difference" C 85 1.300 -0.568 1.176 18901 58 1 10 "Average Difference" CA 113 5.740 0.552 5.739 18901 59 1 10 "Average Difference" CB 105 2.087 -0.480 2.041 18901 60 1 10 "Average Difference" HN 102 0.570 -0.091 0.566 18901 61 1 11 "Average Difference" N 102 3.281 0.855 3.183 18901 62 1 11 "Average Difference" HA 105 0.491 -0.060 0.489 18901 63 1 11 "Average Difference" C 85 1.251 -0.559 1.126 18901 64 1 11 "Average Difference" CA 113 5.739 0.592 5.733 18901 65 1 11 "Average Difference" CB 105 2.023 -0.477 1.975 18901 66 1 11 "Average Difference" HN 102 0.530 -0.084 0.526 18901 67 1 12 "Average Difference" N 102 3.738 0.816 3.666 18901 68 1 12 "Average Difference" HA 105 0.417 -0.052 0.416 18901 69 1 12 "Average Difference" C 85 1.283 -0.567 1.158 18901 70 1 12 "Average Difference" CA 113 5.771 0.653 5.759 18901 71 1 12 "Average Difference" CB 105 2.097 -0.465 2.055 18901 72 1 12 "Average Difference" HN 102 0.626 -0.064 0.626 18901 73 1 13 "Average Difference" N 102 3.158 0.733 3.087 18901 74 1 13 "Average Difference" HA 105 0.457 -0.072 0.453 18901 75 1 13 "Average Difference" C 85 1.184 -0.466 1.095 18901 76 1 13 "Average Difference" CA 113 5.758 0.631 5.749 18901 77 1 13 "Average Difference" CB 105 2.034 -0.502 1.980 18901 78 1 13 "Average Difference" HN 102 0.506 -0.029 0.508 18901 79 1 14 "Average Difference" N 102 3.514 0.840 3.429 18901 80 1 14 "Average Difference" HA 105 0.461 -0.040 0.462 18901 81 1 14 "Average Difference" C 85 1.396 -0.620 1.258 18901 82 1 14 "Average Difference" CA 113 5.770 0.557 5.769 18901 83 1 14 "Average Difference" CB 105 1.970 -0.326 1.952 18901 84 1 14 "Average Difference" HN 102 0.558 -0.027 0.560 18901 85 1 15 "Average Difference" N 102 3.570 0.752 3.507 18901 86 1 15 "Average Difference" HA 105 0.485 -0.069 0.482 18901 87 1 15 "Average Difference" C 85 1.370 -0.615 1.231 18901 88 1 15 "Average Difference" CA 113 5.678 0.600 5.672 18901 89 1 15 "Average Difference" CB 105 2.102 -0.493 2.053 18901 90 1 15 "Average Difference" HN 102 0.610 -0.083 0.607 18901 91 1 16 "Average Difference" N 102 3.326 1.298 3.077 18901 92 1 16 "Average Difference" HA 105 0.402 -0.023 0.403 18901 93 1 16 "Average Difference" C 85 1.272 -0.624 1.115 18901 94 1 16 "Average Difference" CA 113 5.782 0.565 5.780 18901 95 1 16 "Average Difference" CB 105 1.949 -0.400 1.917 18901 96 1 16 "Average Difference" HN 102 0.612 -0.011 0.615 18901 97 1 17 "Average Difference" N 102 3.389 0.615 3.350 18901 98 1 17 "Average Difference" HA 105 0.437 -0.087 0.430 18901 99 1 17 "Average Difference" C 85 1.262 -0.585 1.125 18901 100 1 17 "Average Difference" CA 113 5.719 0.614 5.712 18901 101 1 17 "Average Difference" CB 105 2.059 -0.459 2.017 18901 102 1 17 "Average Difference" HN 102 0.578 -0.098 0.572 18901 103 1 18 "Average Difference" N 102 3.725 0.909 3.630 18901 104 1 18 "Average Difference" HA 105 0.435 -0.021 0.437 18901 105 1 18 "Average Difference" C 85 1.358 -0.563 1.243 18901 106 1 18 "Average Difference" CA 113 5.733 0.508 5.736 18901 107 1 18 "Average Difference" CB 105 2.088 -0.463 2.046 18901 108 1 18 "Average Difference" HN 102 0.553 -0.035 0.555 18901 109 1 19 "Average Difference" N 102 3.062 0.271 3.066 18901 110 1 19 "Average Difference" HA 105 0.472 -0.046 0.473 18901 111 1 19 "Average Difference" C 85 1.287 -0.608 1.142 18901 112 1 19 "Average Difference" CA 113 5.849 0.567 5.847 18901 113 1 19 "Average Difference" CB 105 1.993 -0.280 1.983 18901 114 1 19 "Average Difference" HN 102 0.585 -0.096 0.580 18901 115 1 20 "Average Difference" N 102 3.597 0.364 3.597 18901 116 1 20 "Average Difference" HA 105 0.403 -0.071 0.399 18901 117 1 20 "Average Difference" C 85 1.281 -0.556 1.161 18901 118 1 20 "Average Difference" CA 113 5.725 0.450 5.733 18901 119 1 20 "Average Difference" CB 105 1.823 -0.415 1.783 18901 120 1 20 "Average Difference" HN 102 0.486 -0.094 0.479 18901 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 18901 _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 6 6 PHE N N 6 117.872 117.872 120.384 -2.512 18901 2 1 . 1 1 6 6 PHE HA H 6 4.790 4.790 4.790 -0.000 18901 3 1 . 1 1 6 6 PHE CA C 6 56.026 56.026 54.819 1.207 18901 4 1 . 1 1 6 6 PHE CB C 6 38.260 38.260 39.732 -1.472 18901 5 1 . 1 1 6 6 PHE H H 6 7.818 7.818 8.309 -0.491 18901 6 1 . 1 1 7 7 PRO CA C 7 4.186 4.186 63.063 -58.877 18901 7 1 . 1 1 8 8 GLY N N 8 101.657 101.657 108.715 -7.058 18901 8 1 . 1 1 8 8 GLY CA C 8 44.176 44.176 44.766 -0.590 18901 9 1 . 1 1 8 8 GLY H H 8 7.927 7.927 8.043 -0.116 18901 10 1 . 1 1 9 9 ALA N N 9 120.767 120.767 122.362 -1.595 18901 11 1 . 1 1 9 9 ALA HA H 9 4.865 4.865 4.543 0.322 18901 12 1 . 1 1 9 9 ALA CA C 9 50.198 50.198 50.782 -0.584 18901 13 1 . 1 1 9 9 ALA CB C 9 18.937 18.937 19.464 -0.527 18901 14 1 . 1 1 9 9 ALA H H 9 8.235 8.235 8.203 0.032 18901 15 1 . 1 1 10 10 PRO HA H 10 4.357 4.357 4.760 -0.403 18901 16 1 . 1 1 10 10 PRO CA C 10 63.312 63.312 62.833 0.479 18901 17 1 . 1 1 10 10 PRO CB C 10 32.811 32.811 32.318 0.493 18901 18 1 . 1 1 11 11 CYS N N 11 114.905 114.905 118.650 -3.745 18901 19 1 . 1 1 11 11 CYS HA H 11 4.938 4.938 4.724 0.214 18901 20 1 . 1 1 11 11 CYS C C 11 172.706 172.706 174.639 -1.933 18901 21 1 . 1 1 11 11 CYS CA C 11 56.838 56.838 57.574 -0.736 18901 22 1 . 1 1 11 11 CYS CB C 11 32.139 32.139 31.213 0.926 18901 23 1 . 1 1 11 11 CYS H H 11 8.084 8.084 8.274 -0.190 18901 24 1 . 1 1 12 12 ALA N N 12 120.844 120.844 121.935 -1.091 18901 25 1 . 1 1 12 12 ALA HA H 12 3.927 3.927 4.011 -0.084 18901 26 1 . 1 1 12 12 ALA C C 12 176.005 176.005 176.755 -0.750 18901 27 1 . 1 1 12 12 ALA CA C 12 52.764 52.764 53.277 -0.513 18901 28 1 . 1 1 12 12 ALA CB C 12 17.596 17.596 17.619 -0.023 18901 29 1 . 1 1 12 12 ALA H H 12 8.535 8.535 8.619 -0.084 18901 30 1 . 1 1 13 13 ILE N N 13 116.800 116.800 118.457 -1.657 18901 31 1 . 1 1 13 13 ILE HA H 13 4.453 4.453 4.264 0.189 18901 32 1 . 1 1 13 13 ILE C C 13 177.506 177.506 176.419 1.087 18901 33 1 . 1 1 13 13 ILE CA C 13 62.335 62.335 62.397 -0.062 18901 34 1 . 1 1 13 13 ILE CB C 13 37.868 37.868 38.368 -0.500 18901 35 1 . 1 1 13 13 ILE H H 13 7.802 7.802 7.811 -0.009 18901 36 1 . 1 1 14 14 LYS N N 14 129.030 129.030 127.667 1.363 18901 37 1 . 1 1 14 14 LYS HA H 14 4.597 4.597 4.665 -0.068 18901 38 1 . 1 1 14 14 LYS C C 14 175.508 175.508 174.690 0.818 18901 39 1 . 1 1 14 14 LYS CA C 14 55.552 55.552 54.878 0.674 18901 40 1 . 1 1 14 14 LYS CB C 14 35.288 35.288 35.599 -0.311 18901 41 1 . 1 1 14 14 LYS H H 14 9.249 9.249 8.461 0.788 18901 42 1 . 1 1 15 15 ILE N N 15 121.333 121.333 121.651 -0.318 18901 43 1 . 1 1 15 15 ILE HA H 15 4.584 4.584 4.758 -0.174 18901 44 1 . 1 1 15 15 ILE C C 15 175.983 175.983 175.378 0.605 18901 45 1 . 1 1 15 15 ILE CA C 15 60.808 60.808 60.094 0.714 18901 46 1 . 1 1 15 15 ILE CB C 15 40.620 40.620 40.686 -0.066 18901 47 1 . 1 1 15 15 ILE H H 15 8.231 8.231 8.447 -0.216 18901 48 1 . 1 1 16 16 SER N N 16 120.251 120.251 120.619 -0.368 18901 49 1 . 1 1 16 16 SER HA H 16 4.933 4.933 4.988 -0.055 18901 50 1 . 1 1 16 16 SER C C 16 173.725 173.725 173.172 0.553 18901 51 1 . 1 1 16 16 SER CA C 16 56.656 56.656 57.219 -0.563 18901 52 1 . 1 1 16 16 SER CB C 16 65.750 65.750 65.752 -0.002 18901 53 1 . 1 1 16 16 SER H H 16 8.694 8.694 8.447 0.247 18901 54 1 . 1 1 17 17 LYS N N 17 124.155 124.155 123.224 0.931 18901 55 1 . 1 1 17 17 LYS HA H 17 4.660 4.660 4.519 0.141 18901 56 1 . 1 1 17 17 LYS C C 17 175.815 175.815 175.752 0.063 18901 57 1 . 1 1 17 17 LYS CA C 17 57.275 57.275 56.701 0.574 18901 58 1 . 1 1 17 17 LYS CB C 17 34.566 34.566 33.774 0.792 18901 59 1 . 1 1 17 17 LYS H H 17 8.985 8.985 8.701 0.284 18901 60 1 . 1 1 18 18 SER N N 18 121.663 121.663 117.361 4.302 18901 61 1 . 1 1 18 18 SER HA H 18 5.076 5.076 4.927 0.149 18901 62 1 . 1 1 18 18 SER CA C 18 56.676 56.676 55.853 0.823 18901 63 1 . 1 1 18 18 SER CB C 18 64.993 64.993 64.492 0.501 18901 64 1 . 1 1 18 18 SER H H 18 8.555 8.555 8.366 0.189 18901 65 1 . 1 1 19 19 PRO HA H 19 4.334 4.334 4.437 -0.103 18901 66 1 . 1 1 19 19 PRO C C 19 177.406 177.406 176.765 0.641 18901 67 1 . 1 1 19 19 PRO CA C 19 65.489 65.489 64.735 0.754 18901 68 1 . 1 1 19 19 PRO CB C 19 32.065 32.065 31.953 0.112 18901 69 1 . 1 1 20 20 ASP N N 20 110.573 110.573 117.388 -6.814 18901 70 1 . 1 1 20 20 ASP HA H 20 4.679 4.679 4.706 -0.027 18901 71 1 . 1 1 20 20 ASP C C 20 176.667 176.667 176.055 0.612 18901 72 1 . 1 1 20 20 ASP CA C 20 53.558 53.558 54.205 -0.648 18901 73 1 . 1 1 20 20 ASP CB C 20 41.423 41.423 41.733 -0.310 18901 74 1 . 1 1 20 20 ASP H H 20 8.019 8.019 8.342 -0.323 18901 75 1 . 1 1 21 21 GLY N N 21 107.592 107.592 105.940 1.652 18901 76 1 . 1 1 21 21 GLY C C 21 172.365 172.365 172.091 0.274 18901 77 1 . 1 1 21 21 GLY CA C 21 45.730 45.730 45.039 0.691 18901 78 1 . 1 1 21 21 GLY H H 21 7.623 7.623 7.455 0.168 18901 79 1 . 1 1 22 22 ALA N N 22 123.764 123.764 122.788 0.976 18901 80 1 . 1 1 22 22 ALA HA H 22 4.787 4.787 5.023 -0.236 18901 81 1 . 1 1 22 22 ALA C C 22 175.801 175.801 175.973 -0.172 18901 82 1 . 1 1 22 22 ALA CA C 22 50.779 50.779 50.449 0.330 18901 83 1 . 1 1 22 22 ALA CB C 22 21.134 21.134 21.259 -0.125 18901 84 1 . 1 1 22 22 ALA H H 22 8.704 8.704 8.131 0.573 18901 85 1 . 1 1 23 23 HIS N N 23 120.666 120.666 122.322 -1.656 18901 86 1 . 1 1 23 23 HIS HA H 23 4.981 4.981 4.465 0.516 18901 87 1 . 1 1 23 23 HIS C C 23 174.199 174.199 174.137 0.062 18901 88 1 . 1 1 23 23 HIS CA C 23 54.267 54.267 56.343 -2.076 18901 89 1 . 1 1 23 23 HIS CB C 23 29.989 29.989 30.069 -0.080 18901 90 1 . 1 1 23 23 HIS H H 23 9.088 9.088 8.603 0.485 18901 91 1 . 1 1 24 24 LEU N N 24 127.467 127.467 125.203 2.264 18901 92 1 . 1 1 24 24 LEU HA H 24 5.180 5.180 4.665 0.515 18901 93 1 . 1 1 24 24 LEU C C 24 176.430 176.430 175.719 0.711 18901 94 1 . 1 1 24 24 LEU CA C 24 55.528 55.528 53.964 1.564 18901 95 1 . 1 1 24 24 LEU CB C 24 44.957 44.957 43.620 1.337 18901 96 1 . 1 1 24 24 LEU H H 24 8.702 8.702 8.077 0.625 18901 97 1 . 1 1 25 25 THR N N 25 111.459 111.459 113.728 -2.269 18901 98 1 . 1 1 25 25 THR HA H 25 4.186 4.186 3.982 0.204 18901 99 1 . 1 1 25 25 THR C C 25 172.720 172.720 172.256 0.464 18901 100 1 . 1 1 25 25 THR CA C 25 60.798 60.798 60.246 0.552 18901 101 1 . 1 1 25 25 THR CB C 25 72.021 72.021 71.182 0.839 18901 102 1 . 1 1 25 25 THR H H 25 8.643 8.643 8.202 0.441 18901 103 1 . 1 1 26 26 TRP N N 26 117.073 117.073 120.075 -3.002 18901 104 1 . 1 1 26 26 TRP HA H 26 5.033 5.033 5.160 -0.128 18901 105 1 . 1 1 26 26 TRP C C 26 173.425 173.425 174.425 -1.000 18901 106 1 . 1 1 26 26 TRP CA C 26 56.687 56.687 56.057 0.630 18901 107 1 . 1 1 26 26 TRP CB C 26 30.157 30.157 31.574 -1.417 18901 108 1 . 1 1 26 26 TRP H H 26 7.301 7.301 7.773 -0.472 18901 109 1 . 1 1 27 27 GLU N N 27 115.563 115.563 119.848 -4.285 18901 110 1 . 1 1 27 27 GLU HA H 27 4.822 4.822 4.817 0.005 18901 111 1 . 1 1 27 27 GLU CA C 27 52.889 52.889 53.980 -1.091 18901 112 1 . 1 1 27 27 GLU CB C 27 30.830 30.830 31.393 -0.563 18901 113 1 . 1 1 27 27 GLU H H 27 8.753 8.753 8.625 0.128 18901 114 1 . 1 1 28 28 PRO HA H 28 4.339 4.339 4.841 -0.502 18901 115 1 . 1 1 28 28 PRO CA C 28 65.547 65.547 61.575 3.972 18901 116 1 . 1 1 28 28 PRO CB C 28 32.141 32.141 31.093 1.048 18901 117 1 . 1 1 29 29 PRO HA H 29 4.285 4.285 4.534 -0.249 18901 118 1 . 1 1 29 29 PRO CA C 29 61.980 61.980 63.105 -1.125 18901 119 1 . 1 1 29 29 PRO CB C 29 32.884 32.884 32.155 0.729 18901 120 1 . 1 1 30 30 SER N N 30 110.838 110.838 116.904 -6.066 18901 121 1 . 1 1 30 30 SER HA H 30 3.910 3.910 4.602 -0.692 18901 122 1 . 1 1 30 30 SER CA C 30 56.967 56.967 58.284 -1.317 18901 123 1 . 1 1 30 30 SER CB C 30 64.771 64.771 63.527 1.244 18901 124 1 . 1 1 30 30 SER H H 30 8.317 8.317 8.515 -0.198 18901 125 1 . 1 1 31 31 VAL N N 31 114.209 114.209 120.194 -5.985 18901 126 1 . 1 1 31 31 VAL HA H 31 4.208 4.208 4.288 -0.080 18901 127 1 . 1 1 31 31 VAL CA C 31 61.780 61.780 63.028 -1.248 18901 128 1 . 1 1 31 31 VAL CB C 31 32.771 32.771 32.395 0.376 18901 129 1 . 1 1 31 31 VAL H H 31 8.320 8.320 7.983 0.337 18901 130 1 . 1 1 32 32 THR N N 32 119.600 119.600 112.839 6.761 18901 131 1 . 1 1 32 32 THR HA H 32 4.179 4.179 4.541 -0.362 18901 132 1 . 1 1 32 32 THR CA C 32 60.465 60.465 61.071 -0.606 18901 133 1 . 1 1 32 32 THR CB C 32 63.211 63.211 70.814 -7.603 18901 134 1 . 1 1 32 32 THR H H 32 7.828 7.828 7.721 0.107 18901 135 1 . 1 1 33 33 SER N N 33 115.967 115.967 117.715 -1.748 18901 136 1 . 1 1 33 33 SER HA H 33 4.179 4.179 4.308 -0.129 18901 137 1 . 1 1 33 33 SER C C 33 174.332 174.332 175.164 -0.832 18901 138 1 . 1 1 33 33 SER CA C 33 60.428 60.428 59.445 0.983 18901 139 1 . 1 1 33 33 SER CB C 33 62.209 62.209 63.034 -0.825 18901 140 1 . 1 1 33 33 SER H H 33 8.292 8.292 8.495 -0.203 18901 141 1 . 1 1 34 34 GLY N N 34 106.879 106.879 109.687 -2.808 18901 142 1 . 1 1 34 34 GLY C C 34 173.709 173.709 173.535 0.174 18901 143 1 . 1 1 34 34 GLY CA C 34 44.371 44.371 44.768 -0.397 18901 144 1 . 1 1 34 34 GLY H H 34 7.848 7.848 8.009 -0.161 18901 145 1 . 1 1 35 35 LYS N N 35 122.205 122.205 122.393 -0.188 18901 146 1 . 1 1 35 35 LYS HA H 35 4.310 4.310 4.435 -0.125 18901 147 1 . 1 1 35 35 LYS C C 35 176.262 176.262 175.405 0.857 18901 148 1 . 1 1 35 35 LYS CA C 35 55.671 55.671 55.299 0.372 18901 149 1 . 1 1 35 35 LYS CB C 35 34.247 34.247 32.601 1.646 18901 150 1 . 1 1 35 35 LYS H H 35 8.628 8.628 8.363 0.265 18901 151 1 . 1 1 36 36 ILE N N 36 120.178 120.178 123.141 -2.963 18901 152 1 . 1 1 36 36 ILE HA H 36 4.121 4.121 4.035 0.086 18901 153 1 . 1 1 36 36 ILE C C 36 177.751 177.751 176.938 0.813 18901 154 1 . 1 1 36 36 ILE CA C 36 58.921 58.921 62.142 -3.221 18901 155 1 . 1 1 36 36 ILE CB C 36 35.312 35.312 38.659 -3.347 18901 156 1 . 1 1 36 36 ILE H H 36 8.344 8.344 8.274 0.070 18901 157 1 . 1 1 37 37 ILE N N 37 122.285 122.285 120.975 1.310 18901 158 1 . 1 1 37 37 ILE HA H 37 4.217 4.217 4.551 -0.334 18901 159 1 . 1 1 37 37 ILE C C 37 176.085 176.085 175.829 0.256 18901 160 1 . 1 1 37 37 ILE CA C 37 60.942 60.942 61.177 -0.235 18901 161 1 . 1 1 37 37 ILE CB C 37 39.799 39.799 40.214 -0.415 18901 162 1 . 1 1 37 37 ILE H H 37 8.460 8.460 8.941 -0.481 18901 163 1 . 1 1 38 38 GLU N N 38 116.489 116.489 118.402 -1.913 18901 164 1 . 1 1 38 38 GLU HA H 38 4.169 4.169 4.670 -0.501 18901 165 1 . 1 1 38 38 GLU C C 38 171.864 171.864 174.052 -2.188 18901 166 1 . 1 1 38 38 GLU CA C 38 55.976 55.976 55.680 0.296 18901 167 1 . 1 1 38 38 GLU CB C 38 34.480 34.480 33.132 1.348 18901 168 1 . 1 1 38 38 GLU H H 38 7.143 7.143 7.673 -0.530 18901 169 1 . 1 1 39 39 TYR N N 39 118.418 118.418 117.476 0.942 18901 170 1 . 1 1 39 39 TYR HA H 39 5.695 5.695 5.049 0.646 18901 171 1 . 1 1 39 39 TYR C C 39 176.190 176.190 174.512 1.678 18901 172 1 . 1 1 39 39 TYR CA C 39 56.911 56.911 57.392 -0.481 18901 173 1 . 1 1 39 39 TYR CB C 39 43.736 43.736 43.075 0.661 18901 174 1 . 1 1 39 39 TYR H H 39 8.860 8.860 8.530 0.330 18901 175 1 . 1 1 40 40 SER N N 40 111.613 111.613 113.315 -1.702 18901 176 1 . 1 1 40 40 SER HA H 40 5.497 5.497 4.345 1.152 18901 177 1 . 1 1 40 40 SER C C 40 172.888 172.888 171.917 0.971 18901 178 1 . 1 1 40 40 SER CA C 40 58.729 58.729 56.718 2.011 18901 179 1 . 1 1 40 40 SER CB C 40 69.596 69.596 66.067 3.529 18901 180 1 . 1 1 40 40 SER H H 40 8.705 8.705 8.508 0.197 18901 181 1 . 1 1 41 41 VAL N N 41 119.202 119.202 121.370 -2.168 18901 182 1 . 1 1 41 41 VAL HA H 41 4.836 4.836 4.539 0.297 18901 183 1 . 1 1 41 41 VAL C C 41 175.106 175.106 174.195 0.911 18901 184 1 . 1 1 41 41 VAL CA C 41 60.666 60.666 61.206 -0.540 18901 185 1 . 1 1 41 41 VAL CB C 41 34.691 34.691 34.362 0.329 18901 186 1 . 1 1 41 41 VAL H H 41 8.428 8.428 8.180 0.248 18901 187 1 . 1 1 42 42 TYR N N 42 124.792 124.792 125.237 -0.445 18901 188 1 . 1 1 42 42 TYR HA H 42 5.496 5.496 5.013 0.483 18901 189 1 . 1 1 42 42 TYR C C 42 174.659 174.659 174.176 0.483 18901 190 1 . 1 1 42 42 TYR CA C 42 55.760 55.760 56.202 -0.442 18901 191 1 . 1 1 42 42 TYR CB C 42 42.396 42.396 40.229 2.167 18901 192 1 . 1 1 42 42 TYR H H 42 9.773 9.773 8.933 0.840 18901 193 1 . 1 1 43 43 LEU N N 43 123.210 123.210 124.148 -0.938 18901 194 1 . 1 1 43 43 LEU HA H 43 5.253 5.253 4.664 0.589 18901 195 1 . 1 1 43 43 LEU C C 43 176.296 176.296 175.143 1.153 18901 196 1 . 1 1 43 43 LEU CA C 43 53.346 53.346 53.103 0.243 18901 197 1 . 1 1 43 43 LEU CB C 43 48.549 48.549 45.792 2.757 18901 198 1 . 1 1 43 43 LEU H H 43 9.368 9.368 8.737 0.631 18901 199 1 . 1 1 44 44 ALA N N 44 127.556 127.556 128.885 -1.329 18901 200 1 . 1 1 44 44 ALA HA H 44 4.324 4.324 4.744 -0.420 18901 201 1 . 1 1 44 44 ALA C C 44 178.318 178.318 176.693 1.625 18901 202 1 . 1 1 44 44 ALA CA C 44 51.744 51.744 51.986 -0.242 18901 203 1 . 1 1 44 44 ALA CB C 44 18.649 18.649 19.370 -0.721 18901 204 1 . 1 1 44 44 ALA H H 44 8.366 8.366 8.143 0.223 18901 205 1 . 1 1 45 45 ILE N N 45 119.672 119.672 117.851 1.821 18901 206 1 . 1 1 45 45 ILE HA H 45 4.743 4.743 4.993 -0.250 18901 207 1 . 1 1 45 45 ILE C C 45 175.937 175.937 175.387 0.550 18901 208 1 . 1 1 45 45 ILE CA C 45 60.120 60.120 58.926 1.194 18901 209 1 . 1 1 45 45 ILE CB C 45 41.789 41.789 41.249 0.540 18901 210 1 . 1 1 45 45 ILE H H 45 8.599 8.599 8.084 0.515 18901 211 1 . 1 1 46 46 GLN N N 46 120.248 120.248 120.910 -0.663 18901 212 1 . 1 1 46 46 GLN HA H 46 4.407 4.407 4.280 0.127 18901 213 1 . 1 1 46 46 GLN C C 46 176.355 176.355 175.168 1.187 18901 214 1 . 1 1 46 46 GLN CA C 46 55.814 55.814 56.643 -0.829 18901 215 1 . 1 1 46 46 GLN CB C 46 29.840 29.840 28.057 1.783 18901 216 1 . 1 1 46 46 GLN H H 46 8.207 8.207 8.474 -0.267 18901 217 1 . 1 1 47 47 SER N N 47 117.541 117.541 117.041 0.500 18901 218 1 . 1 1 47 47 SER HA H 47 4.445 4.445 4.549 -0.104 18901 219 1 . 1 1 47 47 SER C C 47 175.100 175.100 173.234 1.866 18901 220 1 . 1 1 47 47 SER CA C 47 57.957 57.957 58.126 -0.169 18901 221 1 . 1 1 47 47 SER CB C 47 64.188 64.188 64.237 -0.049 18901 222 1 . 1 1 47 47 SER H H 47 8.316 8.316 8.170 0.146 18901 223 1 . 1 1 48 48 SER N N 48 116.421 116.421 116.436 -0.015 18901 224 1 . 1 1 48 48 SER HA H 48 4.446 4.446 4.534 -0.088 18901 225 1 . 1 1 48 48 SER CA C 48 58.395 58.395 58.470 -0.075 18901 226 1 . 1 1 48 48 SER CB C 48 63.932 63.932 63.908 0.024 18901 227 1 . 1 1 48 48 SER H H 48 8.096 8.096 8.348 -0.252 18901 228 1 . 1 1 49 49 GLN N N 49 120.755 120.755 121.275 -0.520 18901 229 1 . 1 1 49 49 GLN HA H 49 4.311 4.311 4.447 -0.136 18901 230 1 . 1 1 49 49 GLN C C 49 176.420 176.420 174.405 2.015 18901 231 1 . 1 1 49 49 GLN CA C 49 55.842 55.842 55.613 0.229 18901 232 1 . 1 1 49 49 GLN CB C 49 29.751 29.751 30.273 -0.522 18901 233 1 . 1 1 49 49 GLN H H 49 8.308 8.308 8.167 0.141 18901 234 1 . 1 1 50 50 ALA N N 50 124.199 124.199 124.334 -0.135 18901 235 1 . 1 1 50 50 ALA HA H 50 4.312 4.312 4.482 -0.171 18901 236 1 . 1 1 50 50 ALA C C 50 178.375 178.375 176.109 2.266 18901 237 1 . 1 1 50 50 ALA CA C 50 52.620 52.620 52.179 0.441 18901 238 1 . 1 1 50 50 ALA CB C 50 19.453 19.453 19.811 -0.358 18901 239 1 . 1 1 50 50 ALA H H 50 8.219 8.219 8.379 -0.160 18901 240 1 . 1 1 51 51 SER N N 51 113.652 113.652 115.305 -1.653 18901 241 1 . 1 1 51 51 SER HA H 51 4.307 4.307 4.536 -0.229 18901 242 1 . 1 1 51 51 SER C C 51 175.739 175.739 173.454 2.285 18901 243 1 . 1 1 51 51 SER CA C 51 52.695 52.695 58.404 -5.709 18901 244 1 . 1 1 51 51 SER CB C 51 62.104 62.104 64.601 -2.497 18901 245 1 . 1 1 51 51 SER H H 51 8.148 8.148 8.369 -0.221 18901 246 1 . 1 1 52 52 GLY N N 52 109.442 109.442 111.820 -2.378 18901 247 1 . 1 1 52 52 GLY C C 52 174.511 174.511 173.008 1.503 18901 248 1 . 1 1 52 52 GLY CA C 52 45.398 45.398 45.412 -0.014 18901 249 1 . 1 1 52 52 GLY H H 52 8.267 8.267 8.168 0.099 18901 250 1 . 1 1 53 53 GLU N N 53 120.137 120.137 122.326 -2.189 18901 251 1 . 1 1 53 53 GLU HA H 53 4.553 4.553 4.651 -0.098 18901 252 1 . 1 1 53 53 GLU CA C 53 54.055 54.055 54.034 0.021 18901 253 1 . 1 1 53 53 GLU CB C 53 29.844 29.844 30.363 -0.519 18901 254 1 . 1 1 53 53 GLU H H 53 7.951 7.951 8.173 -0.222 18901 255 1 . 1 1 54 54 PRO HA H 54 4.365 4.365 4.438 -0.073 18901 256 1 . 1 1 54 54 PRO C C 54 177.830 177.830 176.647 1.183 18901 257 1 . 1 1 54 54 PRO CA C 54 63.710 63.710 62.874 0.836 18901 258 1 . 1 1 54 54 PRO CB C 54 32.712 32.712 31.926 0.786 18901 259 1 . 1 1 55 55 LYS N N 55 119.406 119.406 119.265 0.141 18901 260 1 . 1 1 55 55 LYS HA H 55 4.265 4.265 4.034 0.231 18901 261 1 . 1 1 55 55 LYS C C 55 177.347 177.347 176.386 0.961 18901 262 1 . 1 1 55 55 LYS CA C 55 56.697 56.697 56.917 -0.220 18901 263 1 . 1 1 55 55 LYS CB C 55 33.246 33.246 31.578 1.668 18901 264 1 . 1 1 55 55 LYS H H 55 8.315 8.315 8.484 -0.169 18901 265 1 . 1 1 56 56 SER N N 56 114.624 114.624 114.358 0.266 18901 266 1 . 1 1 56 56 SER HA H 56 4.564 4.564 4.240 0.324 18901 267 1 . 1 1 56 56 SER C C 56 175.285 175.285 174.569 0.716 18901 268 1 . 1 1 56 56 SER CA C 56 60.090 60.090 59.742 0.348 18901 269 1 . 1 1 56 56 SER CB C 56 63.305 63.305 62.907 0.398 18901 270 1 . 1 1 56 56 SER H H 56 8.090 8.090 8.351 -0.261 18901 271 1 . 1 1 57 57 SER N N 57 116.016 116.016 114.825 1.191 18901 272 1 . 1 1 57 57 SER HA H 57 4.455 4.455 4.462 -0.007 18901 273 1 . 1 1 57 57 SER C C 57 174.988 174.988 173.912 1.076 18901 274 1 . 1 1 57 57 SER CA C 57 58.332 58.332 58.977 -0.645 18901 275 1 . 1 1 57 57 SER CB C 57 63.876 63.876 63.743 0.133 18901 276 1 . 1 1 57 57 SER H H 57 8.224 8.224 8.273 -0.049 18901 277 1 . 1 1 58 58 THR N N 58 116.090 116.090 116.558 -0.468 18901 278 1 . 1 1 58 58 THR HA H 58 4.602 4.602 4.535 0.067 18901 279 1 . 1 1 58 58 THR CA C 58 59.935 59.935 60.378 -0.443 18901 280 1 . 1 1 58 58 THR CB C 58 69.773 69.773 69.334 0.439 18901 281 1 . 1 1 58 58 THR H H 58 7.939 7.939 7.896 0.043 18901 282 1 . 1 1 59 59 PRO HA H 59 4.281 4.281 4.482 -0.201 18901 283 1 . 1 1 59 59 PRO C C 59 177.272 177.272 176.027 1.245 18901 284 1 . 1 1 59 59 PRO CA C 59 62.076 62.076 62.709 -0.633 18901 285 1 . 1 1 59 59 PRO CB C 59 32.778 32.778 31.149 1.629 18901 286 1 . 1 1 60 60 ALA N N 60 122.319 122.319 125.519 -3.200 18901 287 1 . 1 1 60 60 ALA HA H 60 4.219 4.219 4.226 -0.007 18901 288 1 . 1 1 60 60 ALA C C 60 178.277 178.277 176.590 1.687 18901 289 1 . 1 1 60 60 ALA CA C 60 52.500 52.500 52.184 0.315 18901 290 1 . 1 1 60 60 ALA CB C 60 19.459 19.459 18.859 0.600 18901 291 1 . 1 1 60 60 ALA H H 60 8.156 8.156 8.102 0.054 18901 292 1 . 1 1 61 61 GLN N N 61 117.680 117.680 119.928 -2.248 18901 293 1 . 1 1 61 61 GLN HA H 61 4.278 4.278 4.199 0.079 18901 294 1 . 1 1 61 61 GLN C C 61 176.148 176.148 175.128 1.020 18901 295 1 . 1 1 61 61 GLN CA C 61 55.525 55.525 55.553 -0.028 18901 296 1 . 1 1 61 61 GLN CB C 61 30.044 30.044 28.327 1.717 18901 297 1 . 1 1 61 61 GLN H H 61 8.016 8.016 8.226 -0.210 18901 298 1 . 1 1 62 62 LEU N N 62 121.805 121.805 119.654 2.151 18901 299 1 . 1 1 62 62 LEU HA H 62 4.129 4.129 4.260 -0.131 18901 300 1 . 1 1 62 62 LEU C C 62 176.202 176.202 175.446 0.756 18901 301 1 . 1 1 62 62 LEU CA C 62 54.574 54.574 53.894 0.680 18901 302 1 . 1 1 62 62 LEU CB C 62 43.290 43.290 42.662 0.628 18901 303 1 . 1 1 62 62 LEU H H 62 7.968 7.968 7.899 0.069 18901 304 1 . 1 1 63 63 ALA N N 63 124.947 124.947 122.016 2.931 18901 305 1 . 1 1 63 63 ALA HA H 63 4.496 4.496 4.441 0.055 18901 306 1 . 1 1 63 63 ALA C C 63 176.252 176.252 175.692 0.560 18901 307 1 . 1 1 63 63 ALA CA C 63 50.798 50.798 51.374 -0.576 18901 308 1 . 1 1 63 63 ALA CB C 63 20.646 20.646 20.210 0.436 18901 309 1 . 1 1 63 63 ALA H H 63 8.434 8.434 7.635 0.799 18901 310 1 . 1 1 64 64 PHE N N 64 117.099 117.099 120.179 -3.080 18901 311 1 . 1 1 64 64 PHE HA H 64 5.084 5.084 5.016 0.068 18901 312 1 . 1 1 64 64 PHE C C 64 176.403 176.403 175.095 1.308 18901 313 1 . 1 1 64 64 PHE CA C 64 57.733 57.733 55.873 1.860 18901 314 1 . 1 1 64 64 PHE CB C 64 42.810 42.810 42.377 0.433 18901 315 1 . 1 1 64 64 PHE H H 64 8.446 8.446 8.256 0.190 18901 316 1 . 1 1 65 65 MET N N 65 120.470 120.470 120.317 0.153 18901 317 1 . 1 1 65 65 MET HA H 65 4.902 4.902 4.752 0.150 18901 318 1 . 1 1 65 65 MET CA C 65 53.984 53.984 55.348 -1.364 18901 319 1 . 1 1 65 65 MET CB C 65 36.825 36.825 34.936 1.889 18901 320 1 . 1 1 65 65 MET H H 65 9.050 9.050 8.931 0.119 18901 321 1 . 1 1 66 66 ARG N N 66 120.685 120.685 123.654 -2.969 18901 322 1 . 1 1 66 66 ARG HA H 66 4.143 4.143 4.392 -0.249 18901 323 1 . 1 1 66 66 ARG C C 66 176.916 176.916 175.874 1.042 18901 324 1 . 1 1 66 66 ARG CA C 66 57.962 57.962 56.553 1.409 18901 325 1 . 1 1 66 66 ARG CB C 66 31.072 31.072 28.415 2.657 18901 326 1 . 1 1 66 66 ARG H H 66 7.540 7.540 8.607 -1.067 18901 327 1 . 1 1 67 67 VAL N N 67 117.677 117.677 117.004 0.673 18901 328 1 . 1 1 67 67 VAL HA H 67 4.714 4.714 3.976 0.738 18901 329 1 . 1 1 67 67 VAL C C 67 175.777 175.777 175.925 -0.147 18901 330 1 . 1 1 67 67 VAL CA C 67 60.919 60.919 63.653 -2.734 18901 331 1 . 1 1 67 67 VAL CB C 67 33.414 33.414 31.851 1.563 18901 332 1 . 1 1 67 67 VAL H H 67 8.859 8.859 8.049 0.810 18901 333 1 . 1 1 68 68 TYR N N 68 120.707 120.707 122.108 -1.401 18901 334 1 . 1 1 68 68 TYR HA H 68 4.777 4.777 4.403 0.374 18901 335 1 . 1 1 68 68 TYR C C 68 173.712 173.712 175.012 -1.300 18901 336 1 . 1 1 68 68 TYR CA C 68 58.305 58.305 59.221 -0.916 18901 337 1 . 1 1 68 68 TYR CB C 68 43.056 43.056 38.387 4.670 18901 338 1 . 1 1 68 68 TYR H H 68 7.539 7.539 7.581 -0.042 18901 339 1 . 1 1 69 69 CYS N N 69 127.927 127.927 124.672 3.255 18901 340 1 . 1 1 69 69 CYS HA H 69 5.069 5.069 4.459 0.610 18901 341 1 . 1 1 69 69 CYS C C 69 174.094 174.094 173.705 0.389 18901 342 1 . 1 1 69 69 CYS CA C 69 57.190 57.190 58.303 -1.113 18901 343 1 . 1 1 69 69 CYS CB C 69 27.990 27.990 28.444 -0.454 18901 344 1 . 1 1 69 69 CYS H H 69 7.601 7.601 8.192 -0.591 18901 345 1 . 1 1 70 70 GLY N N 70 114.822 114.822 110.820 4.002 18901 346 1 . 1 1 70 70 GLY CA C 70 46.146 46.146 43.976 2.170 18901 347 1 . 1 1 70 70 GLY H H 70 8.336 8.336 7.484 0.852 18901 348 1 . 1 1 71 71 PRO HA H 71 4.548 4.548 4.510 0.038 18901 349 1 . 1 1 71 71 PRO CB C 71 32.664 32.664 32.271 0.393 18901 350 1 . 1 1 72 72 SER N N 72 112.451 112.451 115.297 -2.846 18901 351 1 . 1 1 72 72 SER HA H 72 4.850 4.850 4.701 0.149 18901 352 1 . 1 1 72 72 SER CA C 72 56.874 56.874 56.520 0.354 18901 353 1 . 1 1 72 72 SER CB C 72 63.248 63.248 63.579 -0.331 18901 354 1 . 1 1 72 72 SER H H 72 7.327 7.327 7.941 -0.614 18901 355 1 . 1 1 73 73 PRO HA H 73 4.193 4.193 4.639 -0.446 18901 356 1 . 1 1 73 73 PRO CA C 73 63.555 63.555 63.382 0.173 18901 357 1 . 1 1 73 73 PRO CB C 73 32.236 32.236 32.028 0.208 18901 358 1 . 1 1 74 74 SER N N 74 111.450 111.450 112.828 -1.378 18901 359 1 . 1 1 74 74 SER HA H 74 3.907 3.907 3.672 0.235 18901 360 1 . 1 1 74 74 SER CA C 74 56.710 56.710 58.119 -1.409 18901 361 1 . 1 1 74 74 SER CB C 74 64.647 64.647 61.953 2.694 18901 362 1 . 1 1 74 74 SER H H 74 6.909 6.909 8.105 -1.196 18901 363 1 . 1 1 75 75 CYS N N 75 124.103 124.103 119.774 4.329 18901 364 1 . 1 1 75 75 CYS HA H 75 3.559 3.559 4.372 -0.813 18901 365 1 . 1 1 75 75 CYS C C 75 171.568 171.568 174.322 -2.754 18901 366 1 . 1 1 75 75 CYS CA C 75 62.200 62.200 58.831 3.369 18901 367 1 . 1 1 75 75 CYS CB C 75 26.251 26.251 28.860 -2.609 18901 368 1 . 1 1 75 75 CYS H H 75 6.017 6.017 8.091 -2.074 18901 369 1 . 1 1 76 76 LEU N N 76 121.191 121.191 122.787 -1.596 18901 370 1 . 1 1 76 76 LEU HA H 76 4.823 4.823 4.583 0.240 18901 371 1 . 1 1 76 76 LEU C C 76 176.786 176.786 175.656 1.130 18901 372 1 . 1 1 76 76 LEU CA C 76 53.365 53.365 54.600 -1.235 18901 373 1 . 1 1 76 76 LEU CB C 76 44.226 44.226 43.050 1.176 18901 374 1 . 1 1 76 76 LEU H H 76 8.015 8.015 8.138 -0.123 18901 375 1 . 1 1 77 77 VAL N N 77 126.347 126.347 121.849 4.498 18901 376 1 . 1 1 77 77 VAL HA H 77 4.252 4.252 4.353 -0.101 18901 377 1 . 1 1 77 77 VAL C C 77 175.529 175.529 174.960 0.569 18901 378 1 . 1 1 77 77 VAL CA C 77 61.651 61.651 61.168 0.483 18901 379 1 . 1 1 77 77 VAL CB C 77 32.676 32.676 34.388 -1.712 18901 380 1 . 1 1 77 77 VAL H H 77 9.084 9.084 8.312 0.772 18901 381 1 . 1 1 78 78 GLN N N 78 124.566 124.566 125.930 -1.364 18901 382 1 . 1 1 78 78 GLN HA H 78 4.515 4.515 4.460 0.055 18901 383 1 . 1 1 78 78 GLN C C 78 178.805 178.805 177.404 1.401 18901 384 1 . 1 1 78 78 GLN CA C 78 56.916 56.916 56.284 0.632 18901 385 1 . 1 1 78 78 GLN CB C 78 30.398 30.398 29.427 0.971 18901 386 1 . 1 1 78 78 GLN H H 78 8.908 8.908 8.738 0.170 18901 387 1 . 1 1 79 79 SER N N 79 116.974 116.974 119.301 -2.327 18901 388 1 . 1 1 79 79 SER HA H 79 4.087 4.087 4.143 -0.056 18901 389 1 . 1 1 79 79 SER C C 79 177.179 177.179 176.160 1.019 18901 390 1 . 1 1 79 79 SER CA C 79 62.454 62.454 61.778 0.676 18901 391 1 . 1 1 79 79 SER CB C 79 62.787 62.787 62.931 -0.144 18901 392 1 . 1 1 79 79 SER H H 79 8.458 8.458 8.847 -0.389 18901 393 1 . 1 1 80 80 SER N N 80 114.734 114.734 116.896 -2.162 18901 394 1 . 1 1 80 80 SER HA H 80 4.211 4.211 4.253 -0.042 18901 395 1 . 1 1 80 80 SER C C 80 177.853 177.853 176.039 1.814 18901 396 1 . 1 1 80 80 SER CA C 80 61.190 61.190 60.903 0.287 18901 397 1 . 1 1 80 80 SER CB C 80 62.358 62.358 62.678 -0.320 18901 398 1 . 1 1 80 80 SER H H 80 8.537 8.537 8.613 -0.076 18901 399 1 . 1 1 81 81 SER N N 81 117.137 117.137 116.877 0.260 18901 400 1 . 1 1 81 81 SER HA H 81 4.455 4.455 4.409 0.046 18901 401 1 . 1 1 81 81 SER C C 81 175.702 175.702 176.158 -0.456 18901 402 1 . 1 1 81 81 SER CA C 81 61.433 61.433 60.708 0.725 18901 403 1 . 1 1 81 81 SER CB C 81 63.130 63.130 63.398 -0.268 18901 404 1 . 1 1 81 81 SER H H 81 7.514 7.514 7.901 -0.387 18901 405 1 . 1 1 82 82 LEU N N 82 117.548 117.548 121.970 -4.422 18901 406 1 . 1 1 82 82 LEU HA H 82 4.033 4.033 4.186 -0.153 18901 407 1 . 1 1 82 82 LEU C C 82 179.445 179.445 178.930 0.515 18901 408 1 . 1 1 82 82 LEU CA C 82 56.702 56.702 57.336 -0.634 18901 409 1 . 1 1 82 82 LEU CB C 82 41.788 41.788 41.645 0.143 18901 410 1 . 1 1 82 82 LEU H H 82 7.629 7.629 7.690 -0.061 18901 411 1 . 1 1 83 83 SER N N 83 113.258 113.258 115.038 -1.780 18901 412 1 . 1 1 83 83 SER HA H 83 4.214 4.214 4.230 -0.016 18901 413 1 . 1 1 83 83 SER C C 83 175.256 175.256 175.368 -0.112 18901 414 1 . 1 1 83 83 SER CA C 83 61.192 61.192 61.125 0.067 18901 415 1 . 1 1 83 83 SER CB C 83 63.544 63.544 63.098 0.447 18901 416 1 . 1 1 83 83 SER H H 83 7.805 7.805 8.369 -0.564 18901 417 1 . 1 1 84 84 ASN N N 84 116.565 116.565 117.584 -1.019 18901 418 1 . 1 1 84 84 ASN HA H 84 4.922 4.922 4.794 0.128 18901 419 1 . 1 1 84 84 ASN C C 84 175.063 175.063 174.096 0.967 18901 420 1 . 1 1 84 84 ASN CA C 84 52.672 52.672 53.422 -0.750 18901 421 1 . 1 1 84 84 ASN CB C 84 39.691 39.691 39.445 0.246 18901 422 1 . 1 1 84 84 ASN H H 84 7.612 7.612 7.883 -0.271 18901 423 1 . 1 1 85 85 ALA N N 85 119.819 119.819 121.966 -2.147 18901 424 1 . 1 1 85 85 ALA HA H 85 4.249 4.249 4.517 -0.268 18901 425 1 . 1 1 85 85 ALA C C 85 178.113 178.113 176.991 1.122 18901 426 1 . 1 1 85 85 ALA CA C 85 53.065 53.065 51.899 1.166 18901 427 1 . 1 1 85 85 ALA CB C 85 19.820 19.820 19.618 0.202 18901 428 1 . 1 1 85 85 ALA H H 85 7.558 7.558 7.315 0.243 18901 429 1 . 1 1 86 86 HIS N N 86 118.388 118.388 122.611 -4.223 18901 430 1 . 1 1 86 86 HIS HA H 86 4.405 4.405 4.599 -0.194 18901 431 1 . 1 1 86 86 HIS C C 86 175.333 175.333 174.714 0.619 18901 432 1 . 1 1 86 86 HIS CA C 86 55.619 55.619 55.792 -0.173 18901 433 1 . 1 1 86 86 HIS CB C 86 29.198 29.198 31.389 -2.191 18901 434 1 . 1 1 86 86 HIS H H 86 8.280 8.280 8.406 -0.126 18901 435 1 . 1 1 87 87 ILE N N 87 126.618 126.618 124.891 1.727 18901 436 1 . 1 1 87 87 ILE HA H 87 4.055 4.055 4.303 -0.248 18901 437 1 . 1 1 87 87 ILE C C 87 174.718 174.718 175.949 -1.231 18901 438 1 . 1 1 87 87 ILE CA C 87 59.427 59.427 59.135 0.292 18901 439 1 . 1 1 87 87 ILE CB C 87 37.442 37.442 38.349 -0.907 18901 440 1 . 1 1 87 87 ILE H H 87 7.873 7.873 8.170 -0.297 18901 441 1 . 1 1 88 88 ASP N N 88 124.684 124.684 126.395 -1.711 18901 442 1 . 1 1 88 88 ASP HA H 88 4.512 4.512 4.586 -0.074 18901 443 1 . 1 1 88 88 ASP C C 88 176.506 176.506 175.544 0.962 18901 444 1 . 1 1 88 88 ASP CA C 88 53.237 53.237 54.156 -0.919 18901 445 1 . 1 1 88 88 ASP CB C 88 43.761 43.761 41.482 2.279 18901 446 1 . 1 1 88 88 ASP H H 88 8.572 8.572 8.718 -0.146 18901 447 1 . 1 1 89 89 TYR N N 89 122.959 122.959 124.546 -1.587 18901 448 1 . 1 1 89 89 TYR HA H 89 4.379 4.379 4.660 -0.281 18901 449 1 . 1 1 89 89 TYR C C 89 176.631 176.631 175.781 0.850 18901 450 1 . 1 1 89 89 TYR CA C 89 58.629 58.629 57.763 0.866 18901 451 1 . 1 1 89 89 TYR CB C 89 38.462 38.462 38.370 0.092 18901 452 1 . 1 1 89 89 TYR H H 89 8.533 8.533 8.550 -0.017 18901 453 1 . 1 1 90 90 THR N N 90 115.232 115.232 113.719 1.513 18901 454 1 . 1 1 90 90 THR HA H 90 3.974 3.974 4.441 -0.467 18901 455 1 . 1 1 90 90 THR C C 90 176.298 176.298 175.334 0.964 18901 456 1 . 1 1 90 90 THR CA C 90 65.610 65.610 63.180 2.430 18901 457 1 . 1 1 90 90 THR CB C 90 68.758 68.758 69.769 -1.011 18901 458 1 . 1 1 90 90 THR H H 90 8.024 8.024 8.582 -0.558 18901 459 1 . 1 1 91 91 THR N N 91 112.253 112.253 113.760 -1.507 18901 460 1 . 1 1 91 91 THR HA H 91 4.290 4.290 4.433 -0.143 18901 461 1 . 1 1 91 91 THR C C 91 174.644 174.644 173.939 0.706 18901 462 1 . 1 1 91 91 THR CA C 91 61.288 61.288 62.807 -1.519 18901 463 1 . 1 1 91 91 THR CB C 91 69.418 69.418 70.479 -1.061 18901 464 1 . 1 1 91 91 THR H H 91 8.013 8.013 8.265 -0.252 18901 465 1 . 1 1 92 92 LYS N N 92 121.833 121.833 121.095 0.738 18901 466 1 . 1 1 92 92 LYS HA H 92 4.459 4.459 4.724 -0.265 18901 467 1 . 1 1 92 92 LYS CA C 92 54.432 54.432 53.473 0.959 18901 468 1 . 1 1 92 92 LYS CB C 92 29.423 29.423 35.142 -5.720 18901 469 1 . 1 1 92 92 LYS H H 92 7.883 7.883 8.001 -0.118 18901 470 1 . 1 1 93 93 PRO HA H 93 4.211 4.211 4.535 -0.324 18901 471 1 . 1 1 93 93 PRO C C 93 176.775 176.775 175.371 1.404 18901 472 1 . 1 1 93 93 PRO CA C 93 63.385 63.385 62.846 0.539 18901 473 1 . 1 1 93 93 PRO CB C 93 32.214 32.214 30.935 1.279 18901 474 1 . 1 1 94 94 ALA N N 94 122.487 122.487 125.358 -2.871 18901 475 1 . 1 1 94 94 ALA HA H 94 4.865 4.865 4.957 -0.092 18901 476 1 . 1 1 94 94 ALA C C 94 175.790 175.790 175.571 0.219 18901 477 1 . 1 1 94 94 ALA CA C 94 51.011 51.011 50.519 0.492 18901 478 1 . 1 1 94 94 ALA CB C 94 22.840 22.840 22.645 0.195 18901 479 1 . 1 1 94 94 ALA H H 94 8.072 8.072 7.808 0.264 18901 480 1 . 1 1 95 95 ILE N N 95 120.526 120.526 121.253 -0.727 18901 481 1 . 1 1 95 95 ILE HA H 95 4.291 4.291 4.471 -0.180 18901 482 1 . 1 1 95 95 ILE C C 95 175.063 175.063 175.521 -0.458 18901 483 1 . 1 1 95 95 ILE CA C 95 60.430 60.430 61.171 -0.742 18901 484 1 . 1 1 95 95 ILE CB C 95 40.656 40.656 39.420 1.236 18901 485 1 . 1 1 95 95 ILE H H 95 8.099 8.099 8.241 -0.142 18901 486 1 . 1 1 96 96 ILE N N 96 126.053 126.053 125.228 0.825 18901 487 1 . 1 1 96 96 ILE HA H 96 4.954 4.954 4.603 0.351 18901 488 1 . 1 1 96 96 ILE C C 96 175.609 175.609 175.129 0.480 18901 489 1 . 1 1 96 96 ILE CA C 96 60.290 60.290 59.862 0.428 18901 490 1 . 1 1 96 96 ILE CB C 96 39.899 39.899 37.685 2.214 18901 491 1 . 1 1 96 96 ILE H H 96 9.393 9.393 8.356 1.037 18901 492 1 . 1 1 97 97 PHE N N 97 120.455 120.455 125.525 -5.070 18901 493 1 . 1 1 97 97 PHE HA H 97 6.017 6.017 4.992 1.025 18901 494 1 . 1 1 97 97 PHE C C 97 177.044 177.044 174.877 2.167 18901 495 1 . 1 1 97 97 PHE CA C 97 55.769 55.769 56.737 -0.968 18901 496 1 . 1 1 97 97 PHE CB C 97 43.686 43.686 42.675 1.011 18901 497 1 . 1 1 97 97 PHE H H 97 8.626 8.626 8.613 0.013 18901 498 1 . 1 1 98 98 ARG N N 98 117.253 117.253 122.082 -4.829 18901 499 1 . 1 1 98 98 ARG HA H 98 5.441 5.441 4.949 0.492 18901 500 1 . 1 1 98 98 ARG C C 98 176.125 176.125 174.750 1.375 18901 501 1 . 1 1 98 98 ARG CA C 98 54.963 54.963 54.954 0.009 18901 502 1 . 1 1 98 98 ARG CB C 98 35.621 35.621 31.765 3.856 18901 503 1 . 1 1 98 98 ARG H H 98 9.041 9.041 8.729 0.312 18901 504 1 . 1 1 99 99 ILE N N 99 120.894 120.894 123.681 -2.786 18901 505 1 . 1 1 99 99 ILE HA H 99 5.019 5.019 4.690 0.329 18901 506 1 . 1 1 99 99 ILE C C 99 174.486 174.486 173.981 0.505 18901 507 1 . 1 1 99 99 ILE CA C 99 60.934 60.934 60.119 0.815 18901 508 1 . 1 1 99 99 ILE CB C 99 41.415 41.415 40.905 0.510 18901 509 1 . 1 1 99 99 ILE H H 99 8.499 8.499 8.090 0.409 18901 510 1 . 1 1 100 100 ALA N N 100 127.368 127.368 126.987 0.381 18901 511 1 . 1 1 100 100 ALA HA H 100 4.888 4.888 4.771 0.117 18901 512 1 . 1 1 100 100 ALA C C 100 175.044 175.044 174.887 0.157 18901 513 1 . 1 1 100 100 ALA CA C 100 51.356 51.356 50.605 0.750 18901 514 1 . 1 1 100 100 ALA CB C 100 24.590 24.590 22.921 1.669 18901 515 1 . 1 1 100 100 ALA H H 100 8.779 8.779 8.244 0.535 18901 516 1 . 1 1 101 101 ALA N N 101 123.472 123.472 123.104 0.368 18901 517 1 . 1 1 101 101 ALA HA H 101 5.118 5.118 3.079 2.039 18901 518 1 . 1 1 101 101 ALA C C 101 174.314 174.314 176.861 -2.547 18901 519 1 . 1 1 101 101 ALA CA C 101 50.568 50.568 50.977 -0.409 18901 520 1 . 1 1 101 101 ALA CB C 101 24.621 24.621 19.051 5.570 18901 521 1 . 1 1 101 101 ALA H H 101 9.955 9.955 8.371 1.584 18901 522 1 . 1 1 102 102 ARG N N 102 119.295 119.295 125.164 -5.869 18901 523 1 . 1 1 102 102 ARG HA H 102 4.591 4.591 3.818 0.773 18901 524 1 . 1 1 102 102 ARG C C 102 176.649 176.649 174.617 2.032 18901 525 1 . 1 1 102 102 ARG CA C 102 54.071 54.071 54.801 -0.730 18901 526 1 . 1 1 102 102 ARG CB C 102 33.170 33.170 29.381 3.789 18901 527 1 . 1 1 102 102 ARG H H 102 8.474 8.474 7.882 0.592 18901 528 1 . 1 1 103 103 ASN N N 103 124.198 124.198 122.365 1.833 18901 529 1 . 1 1 103 103 ASN HA H 103 5.454 5.454 5.242 0.212 18901 530 1 . 1 1 103 103 ASN C C 103 176.327 176.327 175.796 0.531 18901 531 1 . 1 1 103 103 ASN CA C 103 51.304 51.304 51.308 -0.004 18901 532 1 . 1 1 103 103 ASN CB C 103 39.659 39.659 40.952 -1.293 18901 533 1 . 1 1 103 103 ASN H H 103 7.816 7.816 7.943 -0.127 18901 534 1 . 1 1 104 104 GLU N N 104 115.270 115.270 119.328 -4.058 18901 535 1 . 1 1 104 104 GLU HA H 104 3.853 3.853 4.011 -0.158 18901 536 1 . 1 1 104 104 GLU C C 104 177.716 177.716 177.502 0.214 18901 537 1 . 1 1 104 104 GLU CA C 104 59.905 59.905 58.796 1.109 18901 538 1 . 1 1 104 104 GLU CB C 104 29.164 29.164 29.488 -0.324 18901 539 1 . 1 1 104 104 GLU H H 104 9.416 9.416 8.406 1.010 18901 540 1 . 1 1 105 105 LYS N N 105 116.576 116.576 116.992 -0.416 18901 541 1 . 1 1 105 105 LYS HA H 105 4.262 4.262 4.185 0.077 18901 542 1 . 1 1 105 105 LYS C C 105 177.667 177.667 176.999 0.668 18901 543 1 . 1 1 105 105 LYS CA C 105 57.055 57.055 56.532 0.523 18901 544 1 . 1 1 105 105 LYS CB C 105 33.051 33.051 32.843 0.208 18901 545 1 . 1 1 105 105 LYS H H 105 7.737 7.737 8.086 -0.349 18901 546 1 . 1 1 106 106 GLY N N 106 104.067 104.067 106.104 -2.037 18901 547 1 . 1 1 106 106 GLY C C 106 172.796 172.796 173.689 -0.893 18901 548 1 . 1 1 106 106 GLY CA C 106 45.916 45.916 44.607 1.309 18901 549 1 . 1 1 106 106 GLY H H 106 7.906 7.906 7.780 0.126 18901 550 1 . 1 1 107 107 TYR N N 107 117.296 117.296 120.616 -3.320 18901 551 1 . 1 1 107 107 TYR HA H 107 4.749 4.749 4.417 0.332 18901 552 1 . 1 1 107 107 TYR C C 107 178.772 178.772 176.073 2.699 18901 553 1 . 1 1 107 107 TYR CA C 107 59.800 59.800 57.874 1.926 18901 554 1 . 1 1 107 107 TYR CB C 107 40.566 40.566 36.775 3.791 18901 555 1 . 1 1 107 107 TYR H H 107 8.378 8.378 8.352 0.026 18901 556 1 . 1 1 108 108 GLY N N 108 107.379 107.379 109.791 -2.412 18901 557 1 . 1 1 108 108 GLY CA C 108 44.262 44.262 45.038 -0.776 18901 558 1 . 1 1 108 108 GLY H H 108 8.651 8.651 8.186 0.465 18901 559 1 . 1 1 109 109 PRO CA C 109 61.945 61.945 62.586 -0.641 18901 560 1 . 1 1 110 110 ALA HA H 110 4.871 4.871 4.684 0.187 18901 561 1 . 1 1 110 110 ALA C C 110 179.404 179.404 176.798 2.606 18901 562 1 . 1 1 110 110 ALA CA C 110 50.268 50.268 51.141 -0.873 18901 563 1 . 1 1 110 110 ALA CB C 110 20.115 20.115 21.671 -1.557 18901 564 1 . 1 1 111 111 THR N N 111 118.432 118.432 117.880 0.552 18901 565 1 . 1 1 111 111 THR HA H 111 4.396 4.396 4.309 0.087 18901 566 1 . 1 1 111 111 THR C C 111 173.449 173.449 173.978 -0.529 18901 567 1 . 1 1 111 111 THR CA C 111 61.721 61.721 62.386 -0.665 18901 568 1 . 1 1 111 111 THR CB C 111 69.967 69.967 69.595 0.372 18901 569 1 . 1 1 111 111 THR H H 111 8.810 8.810 8.364 0.446 18901 570 1 . 1 1 112 112 GLN N N 112 127.590 127.590 127.554 0.036 18901 571 1 . 1 1 112 112 GLN HA H 112 5.337 5.337 4.710 0.627 18901 572 1 . 1 1 112 112 GLN C C 112 175.442 175.442 174.900 0.542 18901 573 1 . 1 1 112 112 GLN CA C 112 54.803 54.803 55.206 -0.403 18901 574 1 . 1 1 112 112 GLN CB C 112 31.753 31.753 29.253 2.500 18901 575 1 . 1 1 112 112 GLN H H 112 8.698 8.698 8.636 0.062 18901 576 1 . 1 1 113 113 VAL N N 113 123.646 123.646 123.118 0.528 18901 577 1 . 1 1 113 113 VAL HA H 113 4.574 4.574 4.443 0.131 18901 578 1 . 1 1 113 113 VAL C C 113 173.891 173.891 174.486 -0.595 18901 579 1 . 1 1 113 113 VAL CA C 113 60.284 60.284 60.957 -0.673 18901 580 1 . 1 1 113 113 VAL CB C 113 36.064 36.064 34.292 1.772 18901 581 1 . 1 1 113 113 VAL H H 113 9.101 9.101 8.455 0.646 18901 582 1 . 1 1 114 114 ARG N N 114 122.944 122.944 121.599 1.345 18901 583 1 . 1 1 114 114 ARG HA H 114 4.933 4.933 5.212 -0.279 18901 584 1 . 1 1 114 114 ARG C C 114 175.683 175.683 175.292 0.391 18901 585 1 . 1 1 114 114 ARG CA C 114 54.749 54.749 54.714 0.035 18901 586 1 . 1 1 114 114 ARG CB C 114 32.053 32.053 32.367 -0.314 18901 587 1 . 1 1 114 114 ARG H H 114 8.434 8.434 8.458 -0.024 18901 588 1 . 1 1 115 115 TRP N N 115 126.067 126.067 126.898 -0.831 18901 589 1 . 1 1 115 115 TRP HA H 115 5.257 5.257 4.938 0.319 18901 590 1 . 1 1 115 115 TRP CA C 115 54.521 54.521 55.767 -1.246 18901 591 1 . 1 1 115 115 TRP CB C 115 30.048 30.048 29.938 0.110 18901 592 1 . 1 1 115 115 TRP H H 115 9.944 9.944 9.059 0.885 18901 593 1 . 1 1 116 116 LEU N N 116 130.031 130.031 126.028 4.003 18901 594 1 . 1 1 116 116 LEU HA H 116 4.263 4.263 4.351 -0.088 18901 595 1 . 1 1 116 116 LEU CA C 116 55.697 55.697 54.901 0.796 18901 596 1 . 1 1 116 116 LEU CB C 116 41.727 41.727 41.898 -0.171 18901 597 1 . 1 1 116 116 LEU H H 116 8.722 8.722 8.164 0.558 18901 598 1 . 1 1 117 117 GLN N N 117 124.737 124.737 116.846 7.891 18901 599 1 . 1 1 117 117 GLN HA H 117 4.048 4.048 3.989 0.059 18901 600 1 . 1 1 117 117 GLN CA C 117 57.436 57.436 56.203 1.232 18901 601 1 . 1 1 117 117 GLN CB C 117 31.668 31.668 28.317 3.351 18901 602 1 . 1 1 117 117 GLN H H 117 7.453 7.453 8.135 -0.682 18901 603 1 . 1 1 118 118 GLU N N 118 118.531 118.531 118.799 -0.268 18901 604 1 . 1 1 118 118 GLU HA H 118 3.395 3.395 3.839 -0.444 18901 605 1 . 1 1 118 118 GLU CA C 118 54.682 54.682 56.264 -1.582 18901 606 1 . 1 1 118 118 GLU CB C 118 29.372 29.372 29.337 0.035 18901 607 1 . 1 1 118 118 GLU H H 118 7.891 7.891 7.730 0.161 18901 608 1 . 1 1 119 119 THR N N 119 121.831 121.831 115.102 6.729 18901 609 1 . 1 1 119 119 THR HA H 119 4.267 4.267 4.415 -0.148 18901 610 1 . 1 1 119 119 THR CA C 119 55.604 55.604 61.782 -6.178 18901 611 1 . 1 1 119 119 THR CB C 119 69.285 69.285 69.957 -0.672 18901 612 1 . 1 1 119 119 THR H H 119 7.892 7.892 7.838 0.054 18901 stop_ save_