data_19522 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19522 _Entry.PDB_ID 2MEJ 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 19522 _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 5 5 SER N N 5 116.171 116.171 121.259 -5.088 19522 2 1 1 . 1 1 5 5 SER C C 5 174.320 174.320 174.831 -0.511 19522 3 1 1 . 1 1 5 5 SER CA C 5 57.898 57.898 58.875 -0.977 19522 4 1 1 . 1 1 5 5 SER CB C 5 62.533 62.533 63.640 -1.107 19522 5 1 1 . 1 1 5 5 SER H H 5 8.224 8.224 8.801 -0.577 19522 6 1 1 . 1 1 6 6 GLN N N 6 122.369 122.369 119.181 3.188 19522 7 1 1 . 1 1 6 6 GLN C C 6 176.418 176.418 176.465 -0.047 19522 8 1 1 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.394 -0.494 19522 9 1 1 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.679 1.131 19522 10 1 1 . 1 1 6 6 GLN H H 6 8.337 8.337 8.610 -0.273 19522 11 1 1 . 1 1 7 7 SER N N 7 116.584 116.584 115.407 1.177 19522 12 1 1 . 1 1 7 7 SER C C 7 175.859 175.859 175.964 -0.105 19522 13 1 1 . 1 1 7 7 SER CA C 7 56.260 56.260 61.559 -5.299 19522 14 1 1 . 1 1 7 7 SER CB C 7 61.916 61.916 62.904 -0.988 19522 15 1 1 . 1 1 7 7 SER H H 7 8.221 8.221 8.573 -0.352 19522 16 1 1 . 1 1 8 8 ASN N N 8 119.373 119.373 121.524 -2.151 19522 17 1 1 . 1 1 8 8 ASN C C 8 177.259 177.259 177.401 -0.142 19522 18 1 1 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.084 -2.877 19522 19 1 1 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.264 -1.600 19522 20 1 1 . 1 1 8 8 ASN H H 8 8.375 8.375 7.950 0.425 19522 21 1 1 . 1 1 9 9 ARG N N 9 119.039 119.039 121.280 -2.241 19522 22 1 1 . 1 1 9 9 ARG C C 9 176.977 176.977 178.592 -1.615 19522 23 1 1 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.270 -1.264 19522 24 1 1 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.210 1.100 19522 25 1 1 . 1 1 9 9 ARG H H 9 7.815 7.815 8.804 -0.989 19522 26 1 1 . 1 1 10 10 GLU N N 10 117.158 117.158 119.891 -2.733 19522 27 1 1 . 1 1 10 10 GLU C C 10 179.475 179.475 179.144 0.331 19522 28 1 1 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.232 -3.735 19522 29 1 1 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.196 -0.203 19522 30 1 1 . 1 1 10 10 GLU H H 10 7.949 7.949 8.258 -0.309 19522 31 1 1 . 1 1 11 11 LEU N N 11 119.880 119.880 120.660 -0.780 19522 32 1 1 . 1 1 11 11 LEU C C 11 178.096 178.096 179.085 -0.989 19522 33 1 1 . 1 1 11 11 LEU CA C 11 57.201 57.201 58.035 -0.834 19522 34 1 1 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.342 -1.423 19522 35 1 1 . 1 1 11 11 LEU H H 11 7.807 7.807 7.899 -0.092 19522 36 1 1 . 1 1 12 12 VAL N N 12 117.702 117.702 119.235 -1.533 19522 37 1 1 . 1 1 12 12 VAL C C 12 176.377 176.377 178.559 -2.182 19522 38 1 1 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.149 -0.061 19522 39 1 1 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.157 -0.188 19522 40 1 1 . 1 1 12 12 VAL H H 12 7.690 7.690 8.043 -0.353 19522 41 1 1 . 1 1 13 13 VAL N N 13 116.258 116.258 115.654 0.604 19522 42 1 1 . 1 1 13 13 VAL C C 13 178.416 178.416 177.385 1.031 19522 43 1 1 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.745 0.168 19522 44 1 1 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.762 -2.169 19522 45 1 1 . 1 1 13 13 VAL H H 13 8.225 8.225 7.755 0.470 19522 46 1 1 . 1 1 14 14 ASP N N 14 120.362 120.362 122.421 -2.059 19522 47 1 1 . 1 1 14 14 ASP C C 14 177.040 177.040 177.884 -0.844 19522 48 1 1 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.784 0.194 19522 49 1 1 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.199 1.059 19522 50 1 1 . 1 1 14 14 ASP H H 14 7.967 7.967 8.238 -0.271 19522 51 1 1 . 1 1 15 15 PHE N N 15 119.747 119.747 120.479 -0.732 19522 52 1 1 . 1 1 15 15 PHE C C 15 177.876 177.876 177.213 0.663 19522 53 1 1 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.356 1.119 19522 54 1 1 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.271 -0.689 19522 55 1 1 . 1 1 15 15 PHE H H 15 8.308 8.308 8.427 -0.119 19522 56 1 1 . 1 1 16 16 LEU N N 16 116.203 116.203 120.218 -4.015 19522 57 1 1 . 1 1 16 16 LEU C C 16 175.618 175.618 178.441 -2.823 19522 58 1 1 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.349 -0.771 19522 59 1 1 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.758 -1.418 19522 60 1 1 . 1 1 16 16 LEU H H 16 8.718 8.718 8.002 0.716 19522 61 1 1 . 1 1 17 17 SER N N 17 113.607 113.607 115.040 -1.433 19522 62 1 1 . 1 1 17 17 SER C C 17 176.980 176.980 176.341 0.639 19522 63 1 1 . 1 1 17 17 SER CA C 17 62.150 62.150 62.195 -0.045 19522 64 1 1 . 1 1 17 17 SER CB C 17 60.854 60.854 62.825 -1.971 19522 65 1 1 . 1 1 17 17 SER H H 17 8.338 8.338 8.349 -0.011 19522 66 1 1 . 1 1 18 18 TYR N N 18 124.591 124.591 122.908 1.683 19522 67 1 1 . 1 1 18 18 TYR C C 18 177.996 177.996 177.802 0.194 19522 68 1 1 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.955 -1.676 19522 69 1 1 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.285 -1.940 19522 70 1 1 . 1 1 18 18 TYR H H 18 8.228 8.228 8.113 0.115 19522 71 1 1 . 1 1 19 19 LYS N N 19 119.761 119.761 119.578 0.183 19522 72 1 1 . 1 1 19 19 LYS C C 19 179.841 179.841 178.755 1.086 19522 73 1 1 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.904 -1.821 19522 74 1 1 . 1 1 19 19 LYS CB C 19 28.650 28.650 31.741 -3.091 19522 75 1 1 . 1 1 19 19 LYS H H 19 8.230 8.230 7.629 0.601 19522 76 1 1 . 1 1 20 20 LEU N N 20 118.077 118.077 118.332 -0.255 19522 77 1 1 . 1 1 20 20 LEU C C 20 179.654 179.654 176.709 2.945 19522 78 1 1 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.228 1.750 19522 79 1 1 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.801 -2.363 19522 80 1 1 . 1 1 20 20 LEU H H 20 8.534 8.534 7.823 0.711 19522 81 1 1 . 1 1 21 21 SER N N 21 117.073 117.073 112.195 4.878 19522 82 1 1 . 1 1 21 21 SER C C 21 178.204 178.204 174.235 3.969 19522 83 1 1 . 1 1 21 21 SER CA C 21 60.375 60.375 58.268 2.107 19522 84 1 1 . 1 1 21 21 SER CB C 21 61.836 61.836 62.543 -0.707 19522 85 1 1 . 1 1 21 21 SER H H 21 8.239 8.239 7.099 1.140 19522 86 1 1 . 1 1 22 22 GLN N N 22 122.767 122.767 121.163 1.604 19522 87 1 1 . 1 1 22 22 GLN C C 22 176.997 176.997 175.484 1.513 19522 88 1 1 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.300 0.278 19522 89 1 1 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.424 -2.292 19522 90 1 1 . 1 1 22 22 GLN H H 22 7.632 7.632 7.220 0.412 19522 91 1 1 . 1 1 23 23 LYS N N 23 116.016 116.016 117.505 -1.489 19522 92 1 1 . 1 1 23 23 LYS C C 23 175.419 175.419 174.963 0.456 19522 93 1 1 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.246 -3.303 19522 94 1 1 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.033 -2.985 19522 95 1 1 . 1 1 23 23 LYS H H 23 7.167 7.167 8.181 -1.014 19522 96 1 1 . 1 1 24 24 GLY N N 24 105.329 105.329 110.339 -5.010 19522 97 1 1 . 1 1 24 24 GLY C C 24 173.680 173.680 172.163 1.517 19522 98 1 1 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.940 -0.627 19522 99 1 1 . 1 1 24 24 GLY H H 24 7.504 7.504 8.333 -0.829 19522 100 1 1 . 1 1 25 25 TYR N N 25 119.528 119.528 114.688 4.840 19522 101 1 1 . 1 1 25 25 TYR C C 25 174.779 174.779 173.969 0.810 19522 102 1 1 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.229 2.532 19522 103 1 1 . 1 1 25 25 TYR CB C 25 39.301 39.301 39.353 -0.052 19522 104 1 1 . 1 1 25 25 TYR H H 25 7.817 7.817 7.360 0.457 19522 105 1 1 . 1 1 26 26 SER N N 26 115.815 115.815 121.259 -5.444 19522 106 1 1 . 1 1 26 26 SER C C 26 173.860 173.860 175.886 -2.026 19522 107 1 1 . 1 1 26 26 SER CA C 26 56.083 56.083 57.781 -1.698 19522 108 1 1 . 1 1 26 26 SER CB C 26 63.275 63.275 63.667 -0.392 19522 109 1 1 . 1 1 26 26 SER H H 26 8.475 8.475 8.329 0.146 19522 110 1 1 . 1 1 27 27 TRP N N 27 126.476 126.476 121.519 4.957 19522 111 1 1 . 1 1 27 27 TRP C C 27 174.141 174.141 177.109 -2.968 19522 112 1 1 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.859 -0.459 19522 113 1 1 . 1 1 27 27 TRP CB C 27 29.210 29.210 28.912 0.298 19522 114 1 1 . 1 1 27 27 TRP H H 27 8.720 8.720 7.791 0.929 19522 115 1 1 . 1 1 28 28 SER N N 28 114.011 114.011 113.050 0.961 19522 116 1 1 . 1 1 28 28 SER C C 28 172.859 172.859 175.078 -2.219 19522 117 1 1 . 1 1 28 28 SER CA C 28 66.186 66.186 59.404 6.782 19522 118 1 1 . 1 1 28 28 SER CB C 28 61.996 61.996 62.249 -0.253 19522 119 1 1 . 1 1 28 28 SER H H 28 8.034 8.034 7.723 0.311 19522 120 1 1 . 1 1 29 29 GLN N N 29 120.138 120.138 120.026 0.112 19522 121 1 1 . 1 1 29 29 GLN C C 29 177.250 177.250 176.332 0.918 19522 122 1 1 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.646 -2.476 19522 123 1 1 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.321 -0.982 19522 124 1 1 . 1 1 29 29 GLN H H 29 7.323 7.323 7.542 -0.219 19522 125 1 1 . 1 1 30 30 PHE N N 30 113.775 113.775 117.415 -3.640 19522 126 1 1 . 1 1 30 30 PHE C C 30 176.814 176.814 176.110 0.704 19522 127 1 1 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.524 -2.361 19522 128 1 1 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.060 -2.220 19522 129 1 1 . 1 1 30 30 PHE H H 30 6.778 6.778 7.537 -0.759 19522 130 1 1 . 1 1 87 87 ALA N N 87 124.732 124.732 122.670 2.062 19522 131 1 1 . 1 1 87 87 ALA C C 87 175.941 175.941 176.454 -0.513 19522 132 1 1 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.075 -2.225 19522 133 1 1 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.733 -2.167 19522 134 1 1 . 1 1 87 87 ALA H H 87 8.079 8.079 8.865 -0.786 19522 135 1 1 . 1 1 88 88 ALA N N 88 121.664 121.664 121.021 0.643 19522 136 1 1 . 1 1 88 88 ALA C C 88 177.523 177.523 177.712 -0.189 19522 137 1 1 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.361 3.790 19522 138 1 1 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.122 0.341 19522 139 1 1 . 1 1 88 88 ALA H H 88 7.951 7.951 7.826 0.125 19522 140 1 1 . 1 1 89 89 VAL N N 89 119.415 119.415 118.741 0.674 19522 141 1 1 . 1 1 89 89 VAL C C 89 176.857 176.857 176.663 0.194 19522 142 1 1 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.039 -4.203 19522 143 1 1 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.369 -0.298 19522 144 1 1 . 1 1 89 89 VAL H H 89 8.161 8.161 8.350 -0.189 19522 145 1 1 . 1 1 90 90 LYS N N 90 121.221 121.221 118.979 2.242 19522 146 1 1 . 1 1 90 90 LYS C C 90 175.559 175.559 178.306 -2.747 19522 147 1 1 . 1 1 90 90 LYS CA C 90 56.083 56.083 60.105 -4.021 19522 148 1 1 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.916 -3.002 19522 149 1 1 . 1 1 90 90 LYS H H 90 8.529 8.529 8.120 0.409 19522 150 1 1 . 1 1 91 91 GLN N N 91 115.879 115.879 118.222 -2.343 19522 151 1 1 . 1 1 91 91 GLN C C 91 176.950 176.950 177.914 -0.964 19522 152 1 1 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.596 -0.675 19522 153 1 1 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.135 -0.900 19522 154 1 1 . 1 1 91 91 GLN H H 91 7.973 7.973 8.284 -0.311 19522 155 1 1 . 1 1 92 92 ALA N N 92 119.538 119.538 123.302 -3.764 19522 156 1 1 . 1 1 92 92 ALA C C 92 179.537 179.537 179.866 -0.329 19522 157 1 1 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.385 -1.140 19522 158 1 1 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.370 -1.603 19522 159 1 1 . 1 1 92 92 ALA H H 92 7.661 7.661 8.249 -0.588 19522 160 1 1 . 1 1 93 93 LEU N N 93 120.236 120.236 118.377 1.859 19522 161 1 1 . 1 1 93 93 LEU C C 93 179.075 179.075 179.287 -0.212 19522 162 1 1 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.141 0.646 19522 163 1 1 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.398 0.159 19522 164 1 1 . 1 1 93 93 LEU H H 93 8.544 8.544 8.235 0.309 19522 165 1 1 . 1 1 94 94 ARG N N 94 118.361 118.361 120.506 -2.145 19522 166 1 1 . 1 1 94 94 ARG C C 94 178.396 178.396 178.663 -0.267 19522 167 1 1 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.747 -0.011 19522 168 1 1 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.835 -1.744 19522 169 1 1 . 1 1 94 94 ARG H H 94 8.057 8.057 8.198 -0.141 19522 170 1 1 . 1 1 95 95 GLU N N 95 115.851 115.851 119.238 -3.387 19522 171 1 1 . 1 1 95 95 GLU C C 95 179.794 179.794 178.977 0.817 19522 172 1 1 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.698 -1.481 19522 173 1 1 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.438 -1.347 19522 174 1 1 . 1 1 95 95 GLU H H 95 7.737 7.737 8.358 -0.621 19522 175 1 1 . 1 1 96 96 ALA N N 96 122.958 122.958 121.076 1.882 19522 176 1 1 . 1 1 96 96 ALA C C 96 181.313 181.313 180.108 1.205 19522 177 1 1 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.125 -0.823 19522 178 1 1 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.299 -0.596 19522 179 1 1 . 1 1 96 96 ALA H H 96 8.824 8.824 7.838 0.986 19522 180 1 1 . 1 1 97 97 GLY N N 97 108.363 108.363 106.634 1.729 19522 181 1 1 . 1 1 97 97 GLY C C 97 178.177 178.177 176.168 2.009 19522 182 1 1 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.140 -1.149 19522 183 1 1 . 1 1 97 97 GLY H H 97 9.088 9.088 8.187 0.901 19522 184 1 1 . 1 1 98 98 ASP N N 98 122.197 122.197 122.389 -0.192 19522 185 1 1 . 1 1 98 98 ASP C C 98 178.715 178.715 178.487 0.228 19522 186 1 1 . 1 1 98 98 ASP CA C 98 57.019 57.019 58.052 -1.033 19522 187 1 1 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.212 -2.733 19522 188 1 1 . 1 1 98 98 ASP H H 98 8.102 8.102 8.332 -0.230 19522 189 1 1 . 1 1 99 99 GLU N N 99 120.103 120.103 119.223 0.880 19522 190 1 1 . 1 1 99 99 GLU C C 99 179.513 179.513 179.207 0.306 19522 191 1 1 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.041 -5.289 19522 192 1 1 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.583 -1.092 19522 193 1 1 . 1 1 99 99 GLU H H 99 8.115 8.115 8.091 0.024 19522 194 1 1 . 1 1 100 100 PHE N N 100 120.218 120.218 119.195 1.023 19522 195 1 1 . 1 1 100 100 PHE C C 100 178.618 178.618 177.705 0.913 19522 196 1 1 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.274 -3.814 19522 197 1 1 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.601 0.735 19522 198 1 1 . 1 1 100 100 PHE H H 100 8.535 8.535 8.059 0.476 19522 199 1 1 . 1 1 101 101 GLU N N 101 117.531 117.531 121.137 -3.606 19522 200 1 1 . 1 1 101 101 GLU C C 101 177.339 177.339 179.061 -1.722 19522 201 1 1 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.092 -2.491 19522 202 1 1 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.791 -1.198 19522 203 1 1 . 1 1 101 101 GLU H H 101 8.032 8.032 8.394 -0.362 19522 204 1 1 . 1 1 102 102 LEU N N 102 116.641 116.641 116.189 0.452 19522 205 1 1 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.904 -1.316 19522 206 1 1 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.641 -0.868 19522 207 1 1 . 1 1 102 102 LEU H H 102 7.369 7.369 7.783 -0.414 19522 208 1 1 . 1 1 103 103 ARG N N 103 115.854 115.854 118.466 -2.612 19522 209 1 1 . 1 1 103 103 ARG C C 103 177.605 177.605 177.754 -0.149 19522 210 1 1 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.461 0.527 19522 211 1 1 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.060 0.090 19522 212 1 1 . 1 1 103 103 ARG H H 103 7.472 7.472 7.781 -0.309 19522 213 1 1 . 1 1 104 104 TYR N N 104 119.078 119.078 119.014 0.064 19522 214 1 1 . 1 1 104 104 TYR C C 104 174.962 174.962 177.351 -2.389 19522 215 1 1 . 1 1 104 104 TYR CA C 104 60.841 60.841 60.969 -0.128 19522 216 1 1 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.716 -2.088 19522 217 1 1 . 1 1 104 104 TYR H H 104 7.904 7.904 7.718 0.186 19522 218 1 1 . 1 1 105 105 ARG N N 105 119.378 119.378 118.807 0.571 19522 219 1 1 . 1 1 105 105 ARG C C 105 178.395 178.395 176.992 1.403 19522 220 1 1 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.961 0.960 19522 221 1 1 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.200 -1.406 19522 222 1 1 . 1 1 105 105 ARG H H 105 7.195 7.195 8.485 -1.290 19522 223 1 1 . 1 1 106 106 ARG N N 106 118.875 118.875 119.593 -0.718 19522 224 1 1 . 1 1 106 106 ARG C C 106 177.257 177.257 176.000 1.257 19522 225 1 1 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.311 1.604 19522 226 1 1 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.510 -2.956 19522 227 1 1 . 1 1 106 106 ARG H H 106 8.452 8.452 7.833 0.619 19522 228 1 1 . 1 1 107 107 ALA N N 107 121.864 121.864 122.402 -0.538 19522 229 1 1 . 1 1 107 107 ALA C C 107 175.701 175.701 177.808 -2.107 19522 230 1 1 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.237 0.407 19522 231 1 1 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.742 0.321 19522 232 1 1 . 1 1 107 107 ALA H H 107 7.839 7.839 7.720 0.119 19522 233 1 1 . 1 1 108 108 PHE N N 108 121.984 121.984 121.358 0.626 19522 234 1 1 . 1 1 108 108 PHE C C 108 174.982 174.982 174.981 0.001 19522 235 1 1 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.733 -0.691 19522 236 1 1 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.074 2.764 19522 237 1 1 . 1 1 108 108 PHE H H 108 8.392 8.392 8.029 0.363 19522 238 1 1 . 1 1 109 109 SER N N 109 114.585 114.585 117.492 -2.907 19522 239 1 1 . 1 1 109 109 SER C C 109 175.421 175.421 174.706 0.715 19522 240 1 1 . 1 1 109 109 SER CA C 109 55.044 55.044 57.228 -2.184 19522 241 1 1 . 1 1 109 109 SER CB C 109 63.241 63.241 65.306 -2.065 19522 242 1 1 . 1 1 109 109 SER H H 109 7.810 7.810 8.015 -0.205 19522 243 1 1 . 1 1 110 110 ASP N N 110 119.725 119.725 122.906 -3.181 19522 244 1 1 . 1 1 110 110 ASP C C 110 178.196 178.196 178.168 0.028 19522 245 1 1 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.096 -1.116 19522 246 1 1 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.522 -2.682 19522 247 1 1 . 1 1 110 110 ASP H H 110 8.380 8.380 8.543 -0.163 19522 248 1 1 . 1 1 111 111 LEU N N 111 120.827 120.827 119.814 1.013 19522 249 1 1 . 1 1 111 111 LEU C C 111 178.804 178.804 178.777 0.027 19522 250 1 1 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.240 -1.141 19522 251 1 1 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.802 -1.005 19522 252 1 1 . 1 1 111 111 LEU H H 111 7.783 7.783 8.379 -0.596 19522 253 1 1 . 1 1 112 112 THR N N 112 109.101 109.101 112.538 -3.437 19522 254 1 1 . 1 1 112 112 THR C C 112 177.157 177.157 176.504 0.653 19522 255 1 1 . 1 1 112 112 THR CA C 112 64.690 64.690 65.766 -1.075 19522 256 1 1 . 1 1 112 112 THR CB C 112 67.407 67.407 68.343 -0.936 19522 257 1 1 . 1 1 112 112 THR H H 112 8.331 8.331 7.971 0.360 19522 258 1 1 . 1 1 113 113 SER N N 113 115.811 115.811 116.026 -0.215 19522 259 1 1 . 1 1 113 113 SER C C 113 175.319 175.319 175.540 -0.221 19522 260 1 1 . 1 1 113 113 SER CA C 113 59.736 59.736 60.528 -0.791 19522 261 1 1 . 1 1 113 113 SER CB C 113 62.213 62.213 62.906 -0.693 19522 262 1 1 . 1 1 113 113 SER H H 113 7.645 7.645 7.782 -0.137 19522 263 1 1 . 1 1 114 114 GLN N N 114 118.421 118.421 122.043 -3.622 19522 264 1 1 . 1 1 114 114 GLN C C 114 175.978 175.978 177.550 -1.572 19522 265 1 1 . 1 1 114 114 GLN CA C 114 56.459 56.459 57.906 -1.447 19522 266 1 1 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.740 -0.729 19522 267 1 1 . 1 1 114 114 GLN H H 114 7.614 7.614 7.901 -0.287 19522 268 1 1 . 1 1 115 115 LEU N N 115 118.236 118.236 118.612 -0.376 19522 269 1 1 . 1 1 115 115 LEU C C 115 176.198 176.198 177.316 -1.118 19522 270 1 1 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.004 -1.200 19522 271 1 1 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.699 -0.144 19522 272 1 1 . 1 1 115 115 LEU H H 115 7.383 7.383 8.198 -0.815 19522 273 1 1 . 1 1 116 116 HIS N N 116 119.694 119.694 117.182 2.512 19522 274 1 1 . 1 1 116 116 HIS C C 116 174.122 174.122 174.165 -0.043 19522 275 1 1 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.565 -0.186 19522 276 1 1 . 1 1 116 116 HIS CB C 116 28.251 28.251 28.998 -0.747 19522 277 1 1 . 1 1 116 116 HIS H H 116 8.158 8.158 7.734 0.424 19522 278 1 1 . 1 1 117 117 ILE N N 117 122.347 122.347 115.226 7.121 19522 279 1 1 . 1 1 117 117 ILE C C 117 176.377 176.377 175.570 0.807 19522 280 1 1 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.706 -0.989 19522 281 1 1 . 1 1 117 117 ILE CB C 117 37.224 37.224 36.178 1.046 19522 282 1 1 . 1 1 117 117 ILE H H 117 8.658 8.658 8.113 0.545 19522 283 1 1 . 1 1 118 118 THR N N 118 115.798 115.798 119.032 -3.234 19522 284 1 1 . 1 1 118 118 THR CA C 118 57.921 57.921 60.179 -2.258 19522 285 1 1 . 1 1 118 118 THR CB C 118 63.434 63.434 68.788 -5.354 19522 286 1 1 . 1 1 118 118 THR H H 118 8.227 8.227 8.160 0.067 19522 287 1 1 . 1 1 120 120 GLY N N 120 109.574 109.574 107.926 1.648 19522 288 1 1 . 1 1 120 120 GLY C C 120 180.495 180.495 173.538 6.957 19522 289 1 1 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.632 -1.239 19522 290 1 1 . 1 1 120 120 GLY H H 120 8.429 8.429 8.076 0.353 19522 291 1 1 . 1 1 121 121 THR N N 121 113.419 113.419 116.038 -2.619 19522 292 1 1 . 1 1 121 121 THR C C 121 178.096 178.096 173.694 4.402 19522 293 1 1 . 1 1 121 121 THR CA C 121 62.041 62.041 61.986 0.055 19522 294 1 1 . 1 1 121 121 THR CB C 121 63.994 63.994 66.703 -2.709 19522 295 1 1 . 1 1 121 121 THR H H 121 7.774 7.774 8.137 -0.363 19522 296 1 1 . 1 1 122 122 ALA N N 122 121.876 121.876 125.763 -3.887 19522 297 1 1 . 1 1 122 122 ALA C C 122 177.397 177.397 176.916 0.481 19522 298 1 1 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.689 -1.065 19522 299 1 1 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.783 -2.258 19522 300 1 1 . 1 1 122 122 ALA H H 122 7.944 7.944 8.312 -0.368 19522 301 1 1 . 1 1 123 123 TYR N N 123 120.931 120.931 116.121 4.810 19522 302 1 1 . 1 1 123 123 TYR C C 123 176.060 176.060 177.240 -1.180 19522 303 1 1 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.648 1.407 19522 304 1 1 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.568 -2.086 19522 305 1 1 . 1 1 123 123 TYR H H 123 8.748 8.748 7.552 1.196 19522 306 1 1 . 1 1 124 124 GLN N N 124 115.002 115.002 121.052 -6.050 19522 307 1 1 . 1 1 124 124 GLN C C 124 178.098 178.098 178.371 -0.273 19522 308 1 1 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.961 -0.320 19522 309 1 1 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.420 -1.904 19522 310 1 1 . 1 1 124 124 GLN H H 124 8.454 8.454 7.247 1.207 19522 311 1 1 . 1 1 125 125 SER N N 125 114.135 114.135 115.373 -1.238 19522 312 1 1 . 1 1 125 125 SER C C 125 179.557 179.557 176.098 3.459 19522 313 1 1 . 1 1 125 125 SER CA C 125 61.357 61.357 61.413 -0.056 19522 314 1 1 . 1 1 125 125 SER CB C 125 61.357 61.357 62.734 -1.377 19522 315 1 1 . 1 1 125 125 SER H H 125 7.283 7.283 7.605 -0.322 19522 316 1 1 . 1 1 126 126 PHE N N 126 113.327 113.327 123.701 -10.374 19522 317 1 1 . 1 1 126 126 PHE C C 126 174.879 174.879 176.752 -1.873 19522 318 1 1 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.914 0.203 19522 319 1 1 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.087 -1.383 19522 320 1 1 . 1 1 126 126 PHE H H 126 6.606 6.606 8.019 -1.413 19522 321 1 1 . 1 1 127 127 GLU N N 127 119.398 119.398 118.362 1.036 19522 322 1 1 . 1 1 127 127 GLU C C 127 176.857 176.857 179.034 -2.177 19522 323 1 1 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.724 -1.667 19522 324 1 1 . 1 1 127 127 GLU CB C 127 28.890 28.890 28.897 -0.007 19522 325 1 1 . 1 1 127 127 GLU H H 127 8.546 8.546 7.907 0.639 19522 326 1 1 . 1 1 128 128 GLN N N 128 114.754 114.754 119.758 -5.004 19522 327 1 1 . 1 1 128 128 GLN C C 128 178.356 178.356 178.600 -0.244 19522 328 1 1 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.660 -0.580 19522 329 1 1 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.365 -1.370 19522 330 1 1 . 1 1 128 128 GLN H H 128 7.525 7.525 7.933 -0.408 19522 331 1 1 . 1 1 129 129 VAL N N 129 118.194 118.194 119.743 -1.549 19522 332 1 1 . 1 1 129 129 VAL C C 129 177.756 177.756 178.248 -0.492 19522 333 1 1 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.430 -1.340 19522 334 1 1 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.231 -0.982 19522 335 1 1 . 1 1 129 129 VAL H H 129 7.036 7.036 7.788 -0.752 19522 336 1 1 . 1 1 130 130 VAL N N 130 119.459 119.459 119.455 0.004 19522 337 1 1 . 1 1 130 130 VAL C C 130 177.714 177.714 177.761 -0.047 19522 338 1 1 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.694 -1.285 19522 339 1 1 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.733 -1.261 19522 340 1 1 . 1 1 130 130 VAL H H 130 7.831 7.831 8.336 -0.505 19522 341 1 1 . 1 1 131 131 ASN N N 131 117.212 117.212 117.343 -0.131 19522 342 1 1 . 1 1 131 131 ASN C C 131 178.775 178.775 177.259 1.516 19522 343 1 1 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.289 -1.645 19522 344 1 1 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.666 -2.401 19522 345 1 1 . 1 1 131 131 ASN H H 131 8.374 8.374 8.465 -0.091 19522 346 1 1 . 1 1 132 132 GLU N N 132 118.393 118.393 119.724 -1.331 19522 347 1 1 . 1 1 132 132 GLU C C 132 179.097 179.097 178.073 1.024 19522 348 1 1 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.872 -0.894 19522 349 1 1 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.285 -1.913 19522 350 1 1 . 1 1 132 132 GLU H H 132 7.226 7.226 7.597 -0.371 19522 351 1 1 . 1 1 133 133 LEU N N 133 120.835 120.835 118.735 2.100 19522 352 1 1 . 1 1 133 133 LEU C C 133 178.016 178.016 178.047 -0.031 19522 353 1 1 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.439 -0.637 19522 354 1 1 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.639 -1.858 19522 355 1 1 . 1 1 133 133 LEU H H 133 7.467 7.467 7.465 0.002 19522 356 1 1 . 1 1 134 134 PHE N N 134 112.847 112.847 117.704 -4.857 19522 357 1 1 . 1 1 134 134 PHE C C 134 176.258 176.258 177.429 -1.171 19522 358 1 1 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.419 -3.880 19522 359 1 1 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.352 -0.489 19522 360 1 1 . 1 1 134 134 PHE H H 134 6.926 6.926 7.437 -0.511 19522 361 1 1 . 1 1 135 135 ARG N N 135 123.664 123.664 118.000 5.664 19522 362 1 1 . 1 1 135 135 ARG C C 135 176.957 176.957 176.830 0.127 19522 363 1 1 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.300 0.637 19522 364 1 1 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.387 -2.377 19522 365 1 1 . 1 1 135 135 ARG H H 135 7.144 7.144 7.831 -0.687 19522 366 1 1 . 1 1 136 136 ASP N N 136 116.448 116.448 115.716 0.732 19522 367 1 1 . 1 1 136 136 ASP C C 136 175.339 175.339 176.807 -1.468 19522 368 1 1 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.188 -0.845 19522 369 1 1 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.571 -4.973 19522 370 1 1 . 1 1 136 136 ASP H H 136 8.607 8.607 7.519 1.088 19522 371 1 1 . 1 1 137 137 GLY N N 137 108.506 108.506 108.789 -0.283 19522 372 1 1 . 1 1 137 137 GLY C C 137 172.324 172.324 173.940 -1.616 19522 373 1 1 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.563 -1.768 19522 374 1 1 . 1 1 137 137 GLY H H 137 7.468 7.468 8.266 -0.798 19522 375 1 1 . 1 1 138 138 VAL N N 138 120.519 120.519 123.042 -2.523 19522 376 1 1 . 1 1 138 138 VAL C C 138 174.160 174.160 174.952 -0.792 19522 377 1 1 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.740 0.153 19522 378 1 1 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.438 1.370 19522 379 1 1 . 1 1 138 138 VAL H H 138 8.181 8.181 8.441 -0.260 19522 380 1 1 . 1 1 139 139 ASN N N 139 115.573 115.573 121.740 -6.167 19522 381 1 1 . 1 1 139 139 ASN C C 139 174.959 174.959 175.574 -0.615 19522 382 1 1 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.338 -0.313 19522 383 1 1 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.543 -1.904 19522 384 1 1 . 1 1 139 139 ASN H H 139 6.261 6.261 7.887 -1.626 19522 385 1 1 . 1 1 140 140 TRP N N 140 118.231 118.231 126.651 -8.420 19522 386 1 1 . 1 1 140 140 TRP C C 140 177.976 177.976 177.610 0.366 19522 387 1 1 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.188 0.947 19522 388 1 1 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.230 -0.621 19522 389 1 1 . 1 1 140 140 TRP H H 140 8.413 8.413 9.367 -0.954 19522 390 1 1 . 1 1 141 141 GLY N N 141 106.238 106.238 106.396 -0.158 19522 391 1 1 . 1 1 141 141 GLY C C 141 177.297 177.297 175.508 1.789 19522 392 1 1 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.129 0.342 19522 393 1 1 . 1 1 141 141 GLY H H 141 8.494 8.494 9.163 -0.669 19522 394 1 1 . 1 1 142 142 ARG N N 142 121.156 121.156 121.899 -0.743 19522 395 1 1 . 1 1 142 142 ARG C C 142 177.457 177.457 177.955 -0.498 19522 396 1 1 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.410 0.088 19522 397 1 1 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.036 -0.427 19522 398 1 1 . 1 1 142 142 ARG H H 142 8.104 8.104 7.435 0.669 19522 399 1 1 . 1 1 143 143 ILE N N 143 120.888 120.888 120.044 0.844 19522 400 1 1 . 1 1 143 143 ILE C C 143 177.756 177.756 177.096 0.660 19522 401 1 1 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.248 1.641 19522 402 1 1 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.837 -2.234 19522 403 1 1 . 1 1 143 143 ILE H H 143 7.696 7.696 8.105 -0.409 19522 404 1 1 . 1 1 144 144 VAL N N 144 120.958 120.958 118.870 2.088 19522 405 1 1 . 1 1 144 144 VAL C C 144 177.557 177.557 177.591 -0.034 19522 406 1 1 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.466 0.622 19522 407 1 1 . 1 1 144 144 VAL CB C 144 30.089 30.089 29.995 0.094 19522 408 1 1 . 1 1 144 144 VAL H H 144 8.229 8.229 7.622 0.607 19522 409 1 1 . 1 1 145 145 ALA N N 145 121.229 121.229 122.668 -1.439 19522 410 1 1 . 1 1 145 145 ALA C C 145 177.999 177.999 178.992 -0.993 19522 411 1 1 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.947 -0.885 19522 412 1 1 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.190 -1.207 19522 413 1 1 . 1 1 145 145 ALA H H 145 7.579 7.579 7.547 0.032 19522 414 1 1 . 1 1 146 146 PHE N N 146 119.338 119.338 120.024 -0.686 19522 415 1 1 . 1 1 146 146 PHE C C 146 179.432 179.432 177.112 2.320 19522 416 1 1 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.825 -0.656 19522 417 1 1 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.039 -1.176 19522 418 1 1 . 1 1 146 146 PHE H H 146 7.985 7.985 8.188 -0.203 19522 419 1 1 . 1 1 147 147 PHE N N 147 119.900 119.900 117.435 2.465 19522 420 1 1 . 1 1 147 147 PHE C C 147 177.399 177.399 177.680 -0.281 19522 421 1 1 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.250 -3.131 19522 422 1 1 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.474 0.964 19522 423 1 1 . 1 1 147 147 PHE H H 147 7.824 7.824 8.390 -0.566 19522 424 1 1 . 1 1 148 148 SER N N 148 114.725 114.725 116.628 -1.903 19522 425 1 1 . 1 1 148 148 SER C C 148 177.357 177.357 176.197 1.160 19522 426 1 1 . 1 1 148 148 SER CA C 148 63.115 63.115 62.160 0.955 19522 427 1 1 . 1 1 148 148 SER CB C 148 61.893 61.893 62.268 -0.375 19522 428 1 1 . 1 1 148 148 SER H H 148 8.423 8.423 7.951 0.472 19522 429 1 1 . 1 1 149 149 PHE N N 149 124.361 124.361 121.321 3.040 19522 430 1 1 . 1 1 149 149 PHE C C 149 176.338 176.338 178.055 -1.717 19522 431 1 1 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.350 -2.014 19522 432 1 1 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.336 -1.055 19522 433 1 1 . 1 1 149 149 PHE H H 149 9.097 9.097 8.311 0.786 19522 434 1 1 . 1 1 150 150 GLY N N 150 105.935 105.935 106.068 -0.133 19522 435 1 1 . 1 1 150 150 GLY C C 150 176.398 176.398 176.209 0.189 19522 436 1 1 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.817 0.213 19522 437 1 1 . 1 1 150 150 GLY H H 150 7.937 7.937 7.891 0.046 19522 438 1 1 . 1 1 151 151 GLY N N 151 107.449 107.449 110.052 -2.603 19522 439 1 1 . 1 1 151 151 GLY C C 151 174.300 174.300 175.926 -1.626 19522 440 1 1 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.717 0.233 19522 441 1 1 . 1 1 151 151 GLY H H 151 8.803 8.803 8.381 0.422 19522 442 1 1 . 1 1 152 152 ALA N N 152 124.384 124.384 125.070 -0.686 19522 443 1 1 . 1 1 152 152 ALA C C 152 177.636 177.636 179.270 -1.634 19522 444 1 1 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.664 -0.523 19522 445 1 1 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.406 -1.343 19522 446 1 1 . 1 1 152 152 ALA H H 152 8.232 8.232 8.105 0.127 19522 447 1 1 . 1 1 153 153 LEU N N 153 118.871 118.871 120.178 -1.307 19522 448 1 1 . 1 1 153 153 LEU C C 153 179.937 179.937 178.683 1.254 19522 449 1 1 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.745 -1.157 19522 450 1 1 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.702 -1.042 19522 451 1 1 . 1 1 153 153 LEU H H 153 8.159 8.159 8.116 0.043 19522 452 1 1 . 1 1 154 154 CYS N N 154 118.554 118.554 118.645 -0.091 19522 453 1 1 . 1 1 154 154 CYS C C 154 177.332 177.332 176.899 0.433 19522 454 1 1 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.767 -2.471 19522 455 1 1 . 1 1 154 154 CYS CB C 154 25.237 25.237 25.992 -0.755 19522 456 1 1 . 1 1 154 154 CYS H H 154 8.049 8.049 8.499 -0.450 19522 457 1 1 . 1 1 155 155 VAL N N 155 118.474 118.474 122.034 -3.560 19522 458 1 1 . 1 1 155 155 VAL C C 155 175.723 175.723 178.467 -2.744 19522 459 1 1 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.977 -0.848 19522 460 1 1 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.785 -0.057 19522 461 1 1 . 1 1 155 155 VAL H H 155 8.016 8.016 7.449 0.567 19522 462 1 1 . 1 1 156 156 GLU N N 156 119.114 119.114 118.587 0.527 19522 463 1 1 . 1 1 156 156 GLU C C 156 178.036 178.036 179.043 -1.007 19522 464 1 1 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.232 3.046 19522 465 1 1 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.951 -1.499 19522 466 1 1 . 1 1 156 156 GLU H H 156 8.025 8.025 7.939 0.086 19522 467 1 1 . 1 1 157 157 SER N N 157 113.391 113.391 116.363 -2.972 19522 468 1 1 . 1 1 157 157 SER C C 157 175.299 175.299 176.260 -0.961 19522 469 1 1 . 1 1 157 157 SER CA C 157 62.373 62.373 62.315 0.059 19522 470 1 1 . 1 1 157 157 SER CB C 157 60.854 60.854 63.287 -2.433 19522 471 1 1 . 1 1 157 157 SER H H 157 7.629 7.629 7.959 -0.330 19522 472 1 1 . 1 1 158 158 VAL N N 158 120.493 120.493 121.163 -0.670 19522 473 1 1 . 1 1 158 158 VAL C C 158 173.977 173.977 177.469 -3.492 19522 474 1 1 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.471 1.258 19522 475 1 1 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.921 -1.312 19522 476 1 1 . 1 1 158 158 VAL H H 158 7.374 7.374 7.550 -0.176 19522 477 1 1 . 1 1 159 159 ASP N N 159 123.215 123.215 121.791 1.424 19522 478 1 1 . 1 1 159 159 ASP C C 159 177.696 177.696 177.592 0.104 19522 479 1 1 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.640 -0.021 19522 480 1 1 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.984 -1.067 19522 481 1 1 . 1 1 159 159 ASP H H 159 8.309 8.309 8.379 -0.070 19522 482 1 1 . 1 1 160 160 LYS N N 160 115.648 115.648 118.048 -2.400 19522 483 1 1 . 1 1 160 160 LYS C C 160 174.839 174.839 175.542 -0.703 19522 484 1 1 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.786 -0.685 19522 485 1 1 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.025 -2.537 19522 486 1 1 . 1 1 160 160 LYS H H 160 7.541 7.541 7.484 0.057 19522 487 1 1 . 1 1 161 161 GLU N N 161 113.911 113.911 117.362 -3.451 19522 488 1 1 . 1 1 161 161 GLU C C 161 175.781 175.781 176.782 -1.001 19522 489 1 1 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.303 -1.524 19522 490 1 1 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.932 -2.878 19522 491 1 1 . 1 1 161 161 GLU H H 161 7.842 7.842 8.094 -0.252 19522 492 1 1 . 1 1 162 162 MET N N 162 118.882 118.882 116.316 2.566 19522 493 1 1 . 1 1 162 162 MET C C 162 176.597 176.597 177.404 -0.807 19522 494 1 1 . 1 1 162 162 MET CA C 162 52.646 52.646 57.821 -5.175 19522 495 1 1 . 1 1 162 162 MET CB C 162 30.488 30.488 33.607 -3.119 19522 496 1 1 . 1 1 162 162 MET H H 162 8.420 8.420 8.387 0.033 19522 497 1 1 . 1 1 163 163 GLN N N 163 119.366 119.366 117.287 2.079 19522 498 1 1 . 1 1 163 163 GLN C C 163 177.397 177.397 176.858 0.539 19522 499 1 1 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.420 0.756 19522 500 1 1 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.048 -0.955 19522 501 1 1 . 1 1 163 163 GLN H H 163 8.615 8.615 8.084 0.531 19522 502 1 1 . 1 1 164 164 VAL N N 164 116.957 116.957 120.431 -3.474 19522 503 1 1 . 1 1 164 164 VAL C C 164 175.459 175.459 177.550 -2.091 19522 504 1 1 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.737 -2.885 19522 505 1 1 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.324 -1.235 19522 506 1 1 . 1 1 164 164 VAL H H 164 7.938 7.938 8.014 -0.076 19522 507 1 1 . 1 1 165 165 LEU N N 165 117.124 117.124 119.227 -2.103 19522 508 1 1 . 1 1 165 165 LEU C C 165 177.714 177.714 178.217 -0.503 19522 509 1 1 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.096 -2.413 19522 510 1 1 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.932 -2.254 19522 511 1 1 . 1 1 165 165 LEU H H 165 7.741 7.741 7.710 0.031 19522 512 1 1 . 1 1 166 166 VAL N N 166 119.434 119.434 118.302 1.132 19522 513 1 1 . 1 1 166 166 VAL C C 166 176.817 176.817 178.054 -1.237 19522 514 1 1 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.521 1.327 19522 515 1 1 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.083 -1.713 19522 516 1 1 . 1 1 166 166 VAL H H 166 7.342 7.342 7.869 -0.527 19522 517 1 1 . 1 1 167 167 SER N N 167 110.775 110.775 116.006 -5.231 19522 518 1 1 . 1 1 167 167 SER C C 167 176.737 176.737 176.913 -0.176 19522 519 1 1 . 1 1 167 167 SER CA C 167 60.215 60.215 62.216 -2.001 19522 520 1 1 . 1 1 167 167 SER CB C 167 61.654 61.654 62.491 -0.837 19522 521 1 1 . 1 1 167 167 SER H H 167 8.099 8.099 8.589 -0.490 19522 522 1 1 . 1 1 168 168 ARG N N 168 122.916 122.916 120.730 2.186 19522 523 1 1 . 1 1 168 168 ARG C C 168 175.439 175.439 178.067 -2.628 19522 524 1 1 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.656 2.959 19522 525 1 1 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.047 -2.035 19522 526 1 1 . 1 1 168 168 ARG H H 168 6.596 6.596 7.660 -1.064 19522 527 1 1 . 1 1 169 169 ILE N N 169 118.335 118.335 120.624 -2.289 19522 528 1 1 . 1 1 169 169 ILE C C 169 177.779 177.779 177.730 0.049 19522 529 1 1 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.410 -1.279 19522 530 1 1 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.683 -0.722 19522 531 1 1 . 1 1 169 169 ILE H H 169 7.928 7.928 7.707 0.221 19522 532 1 1 . 1 1 170 170 ALA N N 170 119.271 119.271 120.880 -1.609 19522 533 1 1 . 1 1 170 170 ALA C C 170 179.195 179.195 179.140 0.055 19522 534 1 1 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.335 -1.433 19522 535 1 1 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.799 -0.975 19522 536 1 1 . 1 1 170 170 ALA H H 170 7.672 7.672 8.316 -0.644 19522 537 1 1 . 1 1 171 171 ALA N N 171 120.393 120.393 121.750 -1.357 19522 538 1 1 . 1 1 171 171 ALA C C 171 180.833 180.833 179.471 1.362 19522 539 1 1 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.580 -0.438 19522 540 1 1 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.706 -1.202 19522 541 1 1 . 1 1 171 171 ALA H H 171 7.258 7.258 7.215 0.043 19522 542 1 1 . 1 1 172 172 TRP N N 172 121.501 121.501 118.556 2.945 19522 543 1 1 . 1 1 172 172 TRP C C 172 179.350 179.350 178.494 0.856 19522 544 1 1 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.044 -2.025 19522 545 1 1 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.561 -1.269 19522 546 1 1 . 1 1 172 172 TRP H H 172 8.936 8.936 7.536 1.400 19522 547 1 1 . 1 1 173 173 MET N N 173 117.211 117.211 119.940 -2.729 19522 548 1 1 . 1 1 173 173 MET C C 173 176.158 176.158 178.327 -2.169 19522 549 1 1 . 1 1 173 173 MET CA C 173 60.238 60.238 59.323 0.915 19522 550 1 1 . 1 1 173 173 MET CB C 173 28.833 28.833 32.905 -4.072 19522 551 1 1 . 1 1 173 173 MET H H 173 8.885 8.885 8.650 0.235 19522 552 1 1 . 1 1 174 174 ALA N N 174 120.901 120.901 120.412 0.489 19522 553 1 1 . 1 1 174 174 ALA C C 174 178.875 178.875 179.516 -0.641 19522 554 1 1 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.462 -0.601 19522 555 1 1 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.031 -1.344 19522 556 1 1 . 1 1 174 174 ALA H H 174 8.206 8.206 8.403 -0.197 19522 557 1 1 . 1 1 175 175 THR N N 175 116.591 116.591 117.550 -0.959 19522 558 1 1 . 1 1 175 175 THR C C 175 174.782 174.782 176.573 -1.791 19522 559 1 1 . 1 1 175 175 THR CA C 175 66.209 66.209 67.076 -0.867 19522 560 1 1 . 1 1 175 175 THR CB C 175 68.046 68.046 68.658 -0.612 19522 561 1 1 . 1 1 175 175 THR H H 175 8.530 8.530 7.697 0.833 19522 562 1 1 . 1 1 176 176 TYR N N 176 123.375 123.375 123.006 0.369 19522 563 1 1 . 1 1 176 176 TYR C C 176 179.255 179.255 177.397 1.858 19522 564 1 1 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.756 1.617 19522 565 1 1 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.636 -0.773 19522 566 1 1 . 1 1 176 176 TYR H H 176 8.822 8.822 8.438 0.384 19522 567 1 1 . 1 1 177 177 LEU N N 177 119.511 119.511 121.909 -2.398 19522 568 1 1 . 1 1 177 177 LEU C C 177 177.979 177.979 178.163 -0.184 19522 569 1 1 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.433 0.024 19522 570 1 1 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.706 -0.430 19522 571 1 1 . 1 1 177 177 LEU H H 177 8.759 8.759 8.657 0.102 19522 572 1 1 . 1 1 178 178 ASN N N 178 117.233 117.233 116.275 0.958 19522 573 1 1 . 1 1 178 178 ASN C C 178 176.021 176.021 176.943 -0.922 19522 574 1 1 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.049 -0.206 19522 575 1 1 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.493 -0.390 19522 576 1 1 . 1 1 178 178 ASN H H 178 8.333 8.333 7.855 0.478 19522 577 1 1 . 1 1 179 179 ASP N N 179 115.264 115.264 119.009 -3.745 19522 578 1 1 . 1 1 179 179 ASP C C 179 177.557 177.557 176.977 0.580 19522 579 1 1 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.579 -0.679 19522 580 1 1 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.466 -2.187 19522 581 1 1 . 1 1 179 179 ASP H H 179 8.451 8.451 8.015 0.436 19522 582 1 1 . 1 1 180 180 HIS N N 180 111.728 111.728 115.533 -3.805 19522 583 1 1 . 1 1 180 180 HIS C C 180 175.479 175.479 176.668 -1.189 19522 584 1 1 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.958 -1.537 19522 585 1 1 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.177 -2.568 19522 586 1 1 . 1 1 180 180 HIS H H 180 8.073 8.073 7.810 0.263 19522 587 1 1 . 1 1 181 181 LEU N N 181 116.833 116.833 121.567 -4.734 19522 588 1 1 . 1 1 181 181 LEU C C 181 176.160 176.160 178.579 -2.419 19522 589 1 1 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.750 -3.729 19522 590 1 1 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.921 -0.165 19522 591 1 1 . 1 1 181 181 LEU H H 181 7.183 7.183 7.936 -0.753 19522 592 1 1 . 1 1 182 182 GLU N N 182 121.364 121.364 118.758 2.606 19522 593 1 1 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.757 -0.743 19522 594 1 1 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.664 -1.708 19522 595 1 1 . 1 1 182 182 GLU H H 182 8.596 8.596 8.874 -0.278 19522 596 1 1 . 1 1 184 184 TRP N N 184 117.804 117.804 119.561 -1.757 19522 597 1 1 . 1 1 184 184 TRP C C 184 179.217 179.217 177.265 1.952 19522 598 1 1 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.337 6.335 19522 599 1 1 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.404 -1.331 19522 600 1 1 . 1 1 184 184 TRP H H 184 7.070 7.070 7.318 -0.248 19522 601 1 1 . 1 1 185 185 ILE N N 185 121.825 121.825 119.606 2.219 19522 602 1 1 . 1 1 185 185 ILE C C 185 178.655 178.655 178.450 0.205 19522 603 1 1 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.077 0.195 19522 604 1 1 . 1 1 185 185 ILE CB C 185 35.945 35.945 38.182 -2.237 19522 605 1 1 . 1 1 185 185 ILE H H 185 8.396 8.396 8.593 -0.197 19522 606 1 1 . 1 1 186 186 GLN N N 186 116.489 116.489 118.520 -2.031 19522 607 1 1 . 1 1 186 186 GLN C C 186 179.035 179.035 175.169 3.866 19522 608 1 1 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.784 1.034 19522 609 1 1 . 1 1 186 186 GLN CB C 186 26.813 26.813 26.467 0.346 19522 610 1 1 . 1 1 186 186 GLN H H 186 8.374 8.374 8.066 0.308 19522 611 1 1 . 1 1 187 187 GLU N N 187 118.764 118.764 119.614 -0.850 19522 612 1 1 . 1 1 187 187 GLU C C 187 176.458 176.458 176.478 -0.020 19522 613 1 1 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.910 0.109 19522 614 1 1 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.416 -2.005 19522 615 1 1 . 1 1 187 187 GLU H H 187 7.515 7.515 8.423 -0.908 19522 616 1 1 . 1 1 188 188 ASN N N 188 116.561 116.561 118.562 -2.001 19522 617 1 1 . 1 1 188 188 ASN C C 188 173.620 173.620 174.970 -1.350 19522 618 1 1 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.830 -0.967 19522 619 1 1 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.928 -3.207 19522 620 1 1 . 1 1 188 188 ASN H H 188 7.092 7.092 7.938 -0.846 19522 621 1 1 . 1 1 189 189 GLY N N 189 104.897 104.897 105.187 -0.290 19522 622 1 1 . 1 1 189 189 GLY C C 189 175.658 175.658 172.830 2.828 19522 623 1 1 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.591 0.201 19522 624 1 1 . 1 1 189 189 GLY H H 189 7.339 7.339 7.459 -0.120 19522 625 1 1 . 1 1 190 190 GLY N N 190 108.292 108.292 108.302 -0.010 19522 626 1 1 . 1 1 190 190 GLY C C 190 173.021 173.021 174.855 -1.834 19522 627 1 1 . 1 1 190 190 GLY CA C 190 43.354 43.354 44.727 -1.373 19522 628 1 1 . 1 1 190 190 GLY H H 190 8.462 8.462 9.150 -0.688 19522 629 1 1 . 1 1 191 191 TRP N N 191 118.031 118.031 121.575 -3.544 19522 630 1 1 . 1 1 191 191 TRP C C 191 178.136 178.136 177.454 0.682 19522 631 1 1 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.278 -0.862 19522 632 1 1 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.941 -0.291 19522 633 1 1 . 1 1 191 191 TRP H H 191 8.673 8.673 8.395 0.278 19522 634 1 1 . 1 1 192 192 ASP N N 192 117.298 117.298 118.988 -1.690 19522 635 1 1 . 1 1 192 192 ASP C C 192 179.058 179.058 177.780 1.278 19522 636 1 1 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.362 0.497 19522 637 1 1 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.608 -0.329 19522 638 1 1 . 1 1 192 192 ASP H H 192 8.846 8.846 7.926 0.920 19522 639 1 1 . 1 1 193 193 THR N N 193 116.061 116.061 115.101 0.960 19522 640 1 1 . 1 1 193 193 THR C C 193 174.979 174.979 176.160 -1.181 19522 641 1 1 . 1 1 193 193 THR CA C 193 65.649 65.649 64.600 1.049 19522 642 1 1 . 1 1 193 193 THR CB C 193 67.327 67.327 68.394 -1.067 19522 643 1 1 . 1 1 193 193 THR H H 193 7.431 7.431 7.585 -0.154 19522 644 1 1 . 1 1 194 194 PHE N N 194 121.789 121.789 123.132 -1.343 19522 645 1 1 . 1 1 194 194 PHE C C 194 176.418 176.418 176.835 -0.417 19522 646 1 1 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.146 -0.132 19522 647 1 1 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.453 -2.572 19522 648 1 1 . 1 1 194 194 PHE H H 194 6.527 6.527 8.160 -1.633 19522 649 1 1 . 1 1 195 195 VAL N N 195 116.988 116.988 117.903 -0.915 19522 650 1 1 . 1 1 195 195 VAL C C 195 178.078 178.078 178.386 -0.308 19522 651 1 1 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.426 -0.674 19522 652 1 1 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.563 -0.075 19522 653 1 1 . 1 1 195 195 VAL H H 195 7.747 7.747 8.322 -0.575 19522 654 1 1 . 1 1 196 196 GLU N N 196 120.171 120.171 118.840 1.331 19522 655 1 1 . 1 1 196 196 GLU C C 196 177.976 177.976 178.189 -0.213 19522 656 1 1 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.240 -0.920 19522 657 1 1 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.097 -0.424 19522 658 1 1 . 1 1 196 196 GLU H H 196 7.497 7.497 7.971 -0.474 19522 659 1 1 . 1 1 197 197 LEU N N 197 117.210 117.210 113.679 3.531 19522 660 1 1 . 1 1 197 197 LEU C C 197 178.376 178.376 177.578 0.798 19522 661 1 1 . 1 1 197 197 LEU CA C 197 55.900 55.900 56.140 -0.240 19522 662 1 1 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.929 0.466 19522 663 1 1 . 1 1 197 197 LEU H H 197 7.626 7.626 7.375 0.251 19522 664 1 1 . 1 1 198 198 TYR N N 198 115.681 115.681 120.778 -5.097 19522 665 1 1 . 1 1 198 198 TYR C C 198 176.577 176.577 176.531 0.046 19522 666 1 1 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.230 -0.853 19522 667 1 1 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.632 -2.111 19522 668 1 1 . 1 1 198 198 TYR H H 198 8.081 8.081 7.695 0.386 19522 669 1 1 . 1 1 199 199 GLY N N 199 108.201 108.201 103.683 4.518 19522 670 1 1 . 1 1 199 199 GLY C C 199 173.640 173.640 174.351 -0.711 19522 671 1 1 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.166 -0.613 19522 672 1 1 . 1 1 199 199 GLY H H 199 8.032 8.032 8.174 -0.142 19522 673 1 1 . 1 1 200 200 ASN N N 200 118.385 118.385 118.077 0.308 19522 674 1 1 . 1 1 200 200 ASN C C 200 175.081 175.081 174.004 1.077 19522 675 1 1 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.138 -0.354 19522 676 1 1 . 1 1 200 200 ASN CB C 200 37.441 37.441 40.210 -2.769 19522 677 1 1 . 1 1 200 200 ASN H H 200 8.300 8.300 7.949 0.351 19522 678 1 2 . 1 1 5 5 SER N N 5 116.171 116.171 121.110 -4.939 19522 679 1 2 . 1 1 5 5 SER C C 5 174.320 174.320 174.370 -0.050 19522 680 1 2 . 1 1 5 5 SER CA C 5 57.898 57.898 58.426 -0.528 19522 681 1 2 . 1 1 5 5 SER CB C 5 62.533 62.533 63.610 -1.077 19522 682 1 2 . 1 1 5 5 SER H H 5 8.224 8.224 8.777 -0.553 19522 683 1 2 . 1 1 6 6 GLN N N 6 122.369 122.369 118.844 3.525 19522 684 1 2 . 1 1 6 6 GLN C C 6 176.418 176.418 176.091 0.327 19522 685 1 2 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.075 -0.175 19522 686 1 2 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.628 1.182 19522 687 1 2 . 1 1 6 6 GLN H H 6 8.337 8.337 8.498 -0.161 19522 688 1 2 . 1 1 7 7 SER N N 7 116.584 116.584 115.005 1.579 19522 689 1 2 . 1 1 7 7 SER C C 7 175.859 175.859 176.227 -0.368 19522 690 1 2 . 1 1 7 7 SER CA C 7 56.260 56.260 60.822 -4.562 19522 691 1 2 . 1 1 7 7 SER CB C 7 61.916 61.916 62.797 -0.881 19522 692 1 2 . 1 1 7 7 SER H H 7 8.221 8.221 8.864 -0.643 19522 693 1 2 . 1 1 8 8 ASN N N 8 119.373 119.373 120.858 -1.485 19522 694 1 2 . 1 1 8 8 ASN C C 8 177.259 177.259 177.223 0.036 19522 695 1 2 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.970 -2.763 19522 696 1 2 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.292 -1.628 19522 697 1 2 . 1 1 8 8 ASN H H 8 8.375 8.375 7.922 0.453 19522 698 1 2 . 1 1 9 9 ARG N N 9 119.039 119.039 121.504 -2.465 19522 699 1 2 . 1 1 9 9 ARG C C 9 176.977 176.977 178.575 -1.598 19522 700 1 2 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.298 -1.292 19522 701 1 2 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.229 1.081 19522 702 1 2 . 1 1 9 9 ARG H H 9 7.815 7.815 8.520 -0.705 19522 703 1 2 . 1 1 10 10 GLU N N 10 117.158 117.158 119.604 -2.446 19522 704 1 2 . 1 1 10 10 GLU C C 10 179.475 179.475 179.065 0.410 19522 705 1 2 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.224 -3.727 19522 706 1 2 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.190 -0.197 19522 707 1 2 . 1 1 10 10 GLU H H 10 7.949 7.949 8.403 -0.454 19522 708 1 2 . 1 1 11 11 LEU N N 11 119.880 119.880 120.698 -0.818 19522 709 1 2 . 1 1 11 11 LEU C C 11 178.096 178.096 178.788 -0.692 19522 710 1 2 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.989 -0.788 19522 711 1 2 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.406 -1.488 19522 712 1 2 . 1 1 11 11 LEU H H 11 7.807 7.807 7.641 0.166 19522 713 1 2 . 1 1 12 12 VAL N N 12 117.702 117.702 119.287 -1.585 19522 714 1 2 . 1 1 12 12 VAL C C 12 176.377 176.377 178.568 -2.191 19522 715 1 2 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.130 -0.043 19522 716 1 2 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.199 -0.231 19522 717 1 2 . 1 1 12 12 VAL H H 12 7.690 7.690 8.062 -0.372 19522 718 1 2 . 1 1 13 13 VAL N N 13 116.258 116.258 115.628 0.630 19522 719 1 2 . 1 1 13 13 VAL C C 13 178.416 178.416 177.327 1.089 19522 720 1 2 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.877 0.035 19522 721 1 2 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.761 -2.168 19522 722 1 2 . 1 1 13 13 VAL H H 13 8.225 8.225 7.888 0.337 19522 723 1 2 . 1 1 14 14 ASP N N 14 120.362 120.362 122.327 -1.965 19522 724 1 2 . 1 1 14 14 ASP C C 14 177.040 177.040 177.908 -0.868 19522 725 1 2 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.710 0.268 19522 726 1 2 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.177 1.081 19522 727 1 2 . 1 1 14 14 ASP H H 14 7.967 7.967 8.042 -0.075 19522 728 1 2 . 1 1 15 15 PHE N N 15 119.747 119.747 120.394 -0.647 19522 729 1 2 . 1 1 15 15 PHE C C 15 177.876 177.876 177.340 0.536 19522 730 1 2 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.339 1.136 19522 731 1 2 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.342 -0.760 19522 732 1 2 . 1 1 15 15 PHE H H 15 8.308 8.308 8.358 -0.050 19522 733 1 2 . 1 1 16 16 LEU N N 16 116.203 116.203 120.190 -3.987 19522 734 1 2 . 1 1 16 16 LEU C C 16 175.618 175.618 178.419 -2.801 19522 735 1 2 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.385 -0.807 19522 736 1 2 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.842 -1.502 19522 737 1 2 . 1 1 16 16 LEU H H 16 8.718 8.718 8.128 0.590 19522 738 1 2 . 1 1 17 17 SER N N 17 113.607 113.607 115.250 -1.643 19522 739 1 2 . 1 1 17 17 SER C C 17 176.980 176.980 176.501 0.479 19522 740 1 2 . 1 1 17 17 SER CA C 17 62.150 62.150 62.327 -0.177 19522 741 1 2 . 1 1 17 17 SER CB C 17 60.854 60.854 62.858 -2.003 19522 742 1 2 . 1 1 17 17 SER H H 17 8.338 8.338 8.283 0.055 19522 743 1 2 . 1 1 18 18 TYR N N 18 124.591 124.591 122.126 2.465 19522 744 1 2 . 1 1 18 18 TYR C C 18 177.996 177.996 176.678 1.318 19522 745 1 2 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.758 -1.479 19522 746 1 2 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.445 -2.100 19522 747 1 2 . 1 1 18 18 TYR H H 18 8.228 8.228 8.144 0.084 19522 748 1 2 . 1 1 19 19 LYS N N 19 119.761 119.761 118.326 1.435 19522 749 1 2 . 1 1 19 19 LYS C C 19 179.841 179.841 178.523 1.318 19522 750 1 2 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.324 -1.241 19522 751 1 2 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.527 -3.877 19522 752 1 2 . 1 1 19 19 LYS H H 19 8.230 8.230 7.347 0.883 19522 753 1 2 . 1 1 20 20 LEU N N 20 118.077 118.077 119.881 -1.804 19522 754 1 2 . 1 1 20 20 LEU C C 20 179.654 179.654 177.773 1.881 19522 755 1 2 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.901 1.077 19522 756 1 2 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.776 -2.338 19522 757 1 2 . 1 1 20 20 LEU H H 20 8.534 8.534 8.124 0.410 19522 758 1 2 . 1 1 21 21 SER N N 21 117.073 117.073 111.927 5.146 19522 759 1 2 . 1 1 21 21 SER C C 21 178.204 178.204 174.581 3.623 19522 760 1 2 . 1 1 21 21 SER CA C 21 60.375 60.375 58.960 1.415 19522 761 1 2 . 1 1 21 21 SER CB C 21 61.836 61.836 62.536 -0.700 19522 762 1 2 . 1 1 21 21 SER H H 21 8.239 8.239 7.560 0.679 19522 763 1 2 . 1 1 22 22 GLN N N 22 122.767 122.767 121.302 1.465 19522 764 1 2 . 1 1 22 22 GLN C C 22 176.997 176.997 175.364 1.633 19522 765 1 2 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.558 0.020 19522 766 1 2 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.631 -2.499 19522 767 1 2 . 1 1 22 22 GLN H H 22 7.632 7.632 7.602 0.030 19522 768 1 2 . 1 1 23 23 LYS N N 23 116.016 116.016 115.943 0.073 19522 769 1 2 . 1 1 23 23 LYS C C 23 175.419 175.419 174.640 0.779 19522 770 1 2 . 1 1 23 23 LYS CA C 23 52.943 52.943 55.953 -3.010 19522 771 1 2 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.155 -3.107 19522 772 1 2 . 1 1 23 23 LYS H H 23 7.167 7.167 8.255 -1.088 19522 773 1 2 . 1 1 24 24 GLY N N 24 105.329 105.329 108.771 -3.442 19522 774 1 2 . 1 1 24 24 GLY C C 24 173.680 173.680 172.683 0.997 19522 775 1 2 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.023 -0.710 19522 776 1 2 . 1 1 24 24 GLY H H 24 7.504 7.504 7.924 -0.420 19522 777 1 2 . 1 1 25 25 TYR N N 25 119.528 119.528 116.701 2.827 19522 778 1 2 . 1 1 25 25 TYR C C 25 174.779 174.779 174.672 0.107 19522 779 1 2 . 1 1 25 25 TYR CA C 25 57.761 57.761 56.086 1.675 19522 780 1 2 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.487 0.814 19522 781 1 2 . 1 1 25 25 TYR H H 25 7.817 7.817 6.870 0.947 19522 782 1 2 . 1 1 26 26 SER N N 26 115.815 115.815 120.870 -5.055 19522 783 1 2 . 1 1 26 26 SER C C 26 173.860 173.860 176.209 -2.349 19522 784 1 2 . 1 1 26 26 SER CA C 26 56.083 56.083 57.566 -1.483 19522 785 1 2 . 1 1 26 26 SER CB C 26 63.275 63.275 63.905 -0.630 19522 786 1 2 . 1 1 26 26 SER H H 26 8.475 8.475 7.903 0.572 19522 787 1 2 . 1 1 27 27 TRP N N 27 126.476 126.476 122.329 4.147 19522 788 1 2 . 1 1 27 27 TRP C C 27 174.141 174.141 177.117 -2.976 19522 789 1 2 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.226 0.174 19522 790 1 2 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.318 -0.108 19522 791 1 2 . 1 1 27 27 TRP H H 27 8.720 8.720 7.765 0.955 19522 792 1 2 . 1 1 28 28 SER N N 28 114.011 114.011 114.773 -0.762 19522 793 1 2 . 1 1 28 28 SER C C 28 172.859 172.859 175.540 -2.681 19522 794 1 2 . 1 1 28 28 SER CA C 28 66.186 66.186 60.297 5.889 19522 795 1 2 . 1 1 28 28 SER CB C 28 61.996 61.996 62.305 -0.309 19522 796 1 2 . 1 1 28 28 SER H H 28 8.034 8.034 7.845 0.189 19522 797 1 2 . 1 1 29 29 GLN N N 29 120.138 120.138 119.499 0.639 19522 798 1 2 . 1 1 29 29 GLN C C 29 177.250 177.250 175.924 1.326 19522 799 1 2 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.350 -2.180 19522 800 1 2 . 1 1 29 29 GLN CB C 29 28.339 28.339 28.911 -0.572 19522 801 1 2 . 1 1 29 29 GLN H H 29 7.323 7.323 7.634 -0.311 19522 802 1 2 . 1 1 30 30 PHE N N 30 113.775 113.775 118.169 -4.394 19522 803 1 2 . 1 1 30 30 PHE C C 30 176.814 176.814 176.510 0.304 19522 804 1 2 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.980 -2.817 19522 805 1 2 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.622 -2.782 19522 806 1 2 . 1 1 30 30 PHE H H 30 6.778 6.778 7.644 -0.866 19522 807 1 2 . 1 1 87 87 ALA N N 87 124.732 124.732 125.213 -0.481 19522 808 1 2 . 1 1 87 87 ALA C C 87 175.941 175.941 176.881 -0.940 19522 809 1 2 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.355 -2.505 19522 810 1 2 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.284 -1.718 19522 811 1 2 . 1 1 87 87 ALA H H 87 8.079 8.079 8.908 -0.829 19522 812 1 2 . 1 1 88 88 ALA N N 88 121.664 121.664 120.089 1.575 19522 813 1 2 . 1 1 88 88 ALA C C 88 177.523 177.523 177.657 -0.134 19522 814 1 2 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.184 3.967 19522 815 1 2 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.096 0.366 19522 816 1 2 . 1 1 88 88 ALA H H 88 7.951 7.951 7.716 0.235 19522 817 1 2 . 1 1 89 89 VAL N N 89 119.415 119.415 118.889 0.526 19522 818 1 2 . 1 1 89 89 VAL C C 89 176.857 176.857 176.638 0.219 19522 819 1 2 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.070 -4.234 19522 820 1 2 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.480 -0.409 19522 821 1 2 . 1 1 89 89 VAL H H 89 8.161 8.161 8.317 -0.156 19522 822 1 2 . 1 1 90 90 LYS N N 90 121.221 121.221 119.257 1.964 19522 823 1 2 . 1 1 90 90 LYS C C 90 175.559 175.559 178.285 -2.726 19522 824 1 2 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.548 -3.465 19522 825 1 2 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.718 -2.805 19522 826 1 2 . 1 1 90 90 LYS H H 90 8.529 8.529 8.362 0.167 19522 827 1 2 . 1 1 91 91 GLN N N 91 115.879 115.879 119.154 -3.275 19522 828 1 2 . 1 1 91 91 GLN C C 91 176.950 176.950 178.029 -1.079 19522 829 1 2 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.708 -0.786 19522 830 1 2 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.942 -0.707 19522 831 1 2 . 1 1 91 91 GLN H H 91 7.973 7.973 7.824 0.149 19522 832 1 2 . 1 1 92 92 ALA N N 92 119.538 119.538 123.195 -3.657 19522 833 1 2 . 1 1 92 92 ALA C C 92 179.537 179.537 179.823 -0.286 19522 834 1 2 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.268 -1.023 19522 835 1 2 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.229 -1.462 19522 836 1 2 . 1 1 92 92 ALA H H 92 7.661 7.661 8.051 -0.390 19522 837 1 2 . 1 1 93 93 LEU N N 93 120.236 120.236 118.427 1.809 19522 838 1 2 . 1 1 93 93 LEU C C 93 179.075 179.075 179.355 -0.280 19522 839 1 2 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.269 0.518 19522 840 1 2 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.486 0.071 19522 841 1 2 . 1 1 93 93 LEU H H 93 8.544 8.544 8.246 0.298 19522 842 1 2 . 1 1 94 94 ARG N N 94 118.361 118.361 120.586 -2.225 19522 843 1 2 . 1 1 94 94 ARG C C 94 178.396 178.396 178.497 -0.101 19522 844 1 2 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.654 0.082 19522 845 1 2 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.729 -1.637 19522 846 1 2 . 1 1 94 94 ARG H H 94 8.057 8.057 8.154 -0.097 19522 847 1 2 . 1 1 95 95 GLU N N 95 115.851 115.851 119.291 -3.440 19522 848 1 2 . 1 1 95 95 GLU C C 95 179.794 179.794 179.190 0.604 19522 849 1 2 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.754 -1.537 19522 850 1 2 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.450 -1.359 19522 851 1 2 . 1 1 95 95 GLU H H 95 7.737 7.737 8.298 -0.561 19522 852 1 2 . 1 1 96 96 ALA N N 96 122.958 122.958 120.847 2.111 19522 853 1 2 . 1 1 96 96 ALA C C 96 181.313 181.313 180.042 1.271 19522 854 1 2 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.021 -0.719 19522 855 1 2 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.465 -0.762 19522 856 1 2 . 1 1 96 96 ALA H H 96 8.824 8.824 7.878 0.946 19522 857 1 2 . 1 1 97 97 GLY N N 97 108.363 108.363 107.716 0.647 19522 858 1 2 . 1 1 97 97 GLY C C 97 178.177 178.177 176.401 1.776 19522 859 1 2 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.538 -1.546 19522 860 1 2 . 1 1 97 97 GLY H H 97 9.088 9.088 8.358 0.730 19522 861 1 2 . 1 1 98 98 ASP N N 98 122.197 122.197 122.100 0.097 19522 862 1 2 . 1 1 98 98 ASP C C 98 178.715 178.715 178.839 -0.124 19522 863 1 2 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.677 -0.658 19522 864 1 2 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.845 -2.366 19522 865 1 2 . 1 1 98 98 ASP H H 98 8.102 8.102 8.566 -0.464 19522 866 1 2 . 1 1 99 99 GLU N N 99 120.103 120.103 119.951 0.152 19522 867 1 2 . 1 1 99 99 GLU C C 99 179.513 179.513 179.499 0.014 19522 868 1 2 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.351 -5.599 19522 869 1 2 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.718 -1.226 19522 870 1 2 . 1 1 99 99 GLU H H 99 8.115 8.115 7.788 0.327 19522 871 1 2 . 1 1 100 100 PHE N N 100 120.218 120.218 119.063 1.155 19522 872 1 2 . 1 1 100 100 PHE C C 100 178.618 178.618 178.002 0.616 19522 873 1 2 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.515 -4.055 19522 874 1 2 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.466 0.870 19522 875 1 2 . 1 1 100 100 PHE H H 100 8.535 8.535 8.465 0.070 19522 876 1 2 . 1 1 101 101 GLU N N 101 117.531 117.531 121.274 -3.743 19522 877 1 2 . 1 1 101 101 GLU C C 101 177.339 177.339 179.085 -1.746 19522 878 1 2 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.277 -2.676 19522 879 1 2 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.844 -1.251 19522 880 1 2 . 1 1 101 101 GLU H H 101 8.032 8.032 8.453 -0.421 19522 881 1 2 . 1 1 102 102 LEU N N 102 116.641 116.641 116.699 -0.058 19522 882 1 2 . 1 1 102 102 LEU CA C 102 56.588 56.588 58.145 -1.556 19522 883 1 2 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.498 -0.725 19522 884 1 2 . 1 1 102 102 LEU H H 102 7.369 7.369 7.827 -0.458 19522 885 1 2 . 1 1 103 103 ARG N N 103 115.854 115.854 118.122 -2.268 19522 886 1 2 . 1 1 103 103 ARG C C 103 177.605 177.605 177.689 -0.084 19522 887 1 2 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.313 0.674 19522 888 1 2 . 1 1 103 103 ARG CB C 103 31.150 31.150 30.673 0.477 19522 889 1 2 . 1 1 103 103 ARG H H 103 7.472 7.472 7.579 -0.107 19522 890 1 2 . 1 1 104 104 TYR N N 104 119.078 119.078 119.442 -0.364 19522 891 1 2 . 1 1 104 104 TYR C C 104 174.962 174.962 177.208 -2.246 19522 892 1 2 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.199 -0.358 19522 893 1 2 . 1 1 104 104 TYR CB C 104 36.628 36.628 39.036 -2.408 19522 894 1 2 . 1 1 104 104 TYR H H 104 7.904 7.904 7.728 0.176 19522 895 1 2 . 1 1 105 105 ARG N N 105 119.378 119.378 118.857 0.521 19522 896 1 2 . 1 1 105 105 ARG C C 105 178.395 178.395 177.057 1.338 19522 897 1 2 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.907 1.014 19522 898 1 2 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.102 -1.308 19522 899 1 2 . 1 1 105 105 ARG H H 105 7.195 7.195 8.635 -1.440 19522 900 1 2 . 1 1 106 106 ARG N N 106 118.875 118.875 119.951 -1.076 19522 901 1 2 . 1 1 106 106 ARG C C 106 177.257 177.257 176.148 1.109 19522 902 1 2 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.691 1.224 19522 903 1 2 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.278 -2.724 19522 904 1 2 . 1 1 106 106 ARG H H 106 8.452 8.452 7.799 0.653 19522 905 1 2 . 1 1 107 107 ALA N N 107 121.864 121.864 121.036 0.828 19522 906 1 2 . 1 1 107 107 ALA C C 107 175.701 175.701 176.407 -0.706 19522 907 1 2 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.681 0.963 19522 908 1 2 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.226 -0.163 19522 909 1 2 . 1 1 107 107 ALA H H 107 7.839 7.839 7.852 -0.013 19522 910 1 2 . 1 1 108 108 PHE N N 108 121.984 121.984 116.837 5.147 19522 911 1 2 . 1 1 108 108 PHE C C 108 174.982 174.982 174.612 0.370 19522 912 1 2 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.031 0.011 19522 913 1 2 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.059 0.780 19522 914 1 2 . 1 1 108 108 PHE H H 108 8.392 8.392 7.974 0.418 19522 915 1 2 . 1 1 109 109 SER N N 109 114.585 114.585 117.739 -3.154 19522 916 1 2 . 1 1 109 109 SER C C 109 175.421 175.421 174.598 0.823 19522 917 1 2 . 1 1 109 109 SER CA C 109 55.044 55.044 57.120 -2.076 19522 918 1 2 . 1 1 109 109 SER CB C 109 63.241 63.241 64.983 -1.742 19522 919 1 2 . 1 1 109 109 SER H H 109 7.810 7.810 7.760 0.050 19522 920 1 2 . 1 1 110 110 ASP N N 110 119.725 119.725 122.466 -2.741 19522 921 1 2 . 1 1 110 110 ASP C C 110 178.196 178.196 178.264 -0.068 19522 922 1 2 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.386 -1.406 19522 923 1 2 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.549 -2.709 19522 924 1 2 . 1 1 110 110 ASP H H 110 8.380 8.380 8.676 -0.296 19522 925 1 2 . 1 1 111 111 LEU N N 111 120.827 120.827 119.957 0.870 19522 926 1 2 . 1 1 111 111 LEU C C 111 178.804 178.804 178.505 0.299 19522 927 1 2 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.238 -1.139 19522 928 1 2 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.933 -1.136 19522 929 1 2 . 1 1 111 111 LEU H H 111 7.783 7.783 8.364 -0.581 19522 930 1 2 . 1 1 112 112 THR N N 112 109.101 109.101 113.017 -3.916 19522 931 1 2 . 1 1 112 112 THR C C 112 177.157 177.157 177.178 -0.021 19522 932 1 2 . 1 1 112 112 THR CA C 112 64.690 64.690 66.331 -1.641 19522 933 1 2 . 1 1 112 112 THR CB C 112 67.407 67.407 68.378 -0.971 19522 934 1 2 . 1 1 112 112 THR H H 112 8.331 8.331 7.957 0.374 19522 935 1 2 . 1 1 113 113 SER N N 113 115.811 115.811 117.751 -1.940 19522 936 1 2 . 1 1 113 113 SER C C 113 175.319 175.319 176.216 -0.897 19522 937 1 2 . 1 1 113 113 SER CA C 113 59.736 59.736 60.958 -1.222 19522 938 1 2 . 1 1 113 113 SER CB C 113 62.213 62.213 63.037 -0.824 19522 939 1 2 . 1 1 113 113 SER H H 113 7.645 7.645 7.858 -0.213 19522 940 1 2 . 1 1 114 114 GLN N N 114 118.421 118.421 122.240 -3.819 19522 941 1 2 . 1 1 114 114 GLN C C 114 175.978 175.978 177.488 -1.510 19522 942 1 2 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.297 -1.838 19522 943 1 2 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.698 -0.687 19522 944 1 2 . 1 1 114 114 GLN H H 114 7.614 7.614 8.165 -0.551 19522 945 1 2 . 1 1 115 115 LEU N N 115 118.236 118.236 118.147 0.089 19522 946 1 2 . 1 1 115 115 LEU C C 115 176.198 176.198 177.327 -1.129 19522 947 1 2 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.997 -1.193 19522 948 1 2 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.751 -0.196 19522 949 1 2 . 1 1 115 115 LEU H H 115 7.383 7.383 8.035 -0.652 19522 950 1 2 . 1 1 116 116 HIS N N 116 119.694 119.694 117.247 2.447 19522 951 1 2 . 1 1 116 116 HIS C C 116 174.122 174.122 174.276 -0.154 19522 952 1 2 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.835 -0.456 19522 953 1 2 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.130 -0.879 19522 954 1 2 . 1 1 116 116 HIS H H 116 8.158 8.158 7.894 0.264 19522 955 1 2 . 1 1 117 117 ILE N N 117 122.347 122.347 114.744 7.603 19522 956 1 2 . 1 1 117 117 ILE C C 117 176.377 176.377 175.360 1.017 19522 957 1 2 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.994 -1.277 19522 958 1 2 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.850 1.374 19522 959 1 2 . 1 1 117 117 ILE H H 117 8.658 8.658 8.222 0.436 19522 960 1 2 . 1 1 118 118 THR N N 118 115.798 115.798 118.193 -2.395 19522 961 1 2 . 1 1 118 118 THR CA C 118 57.921 57.921 59.573 -1.652 19522 962 1 2 . 1 1 118 118 THR CB C 118 63.434 63.434 68.827 -5.393 19522 963 1 2 . 1 1 118 118 THR H H 118 8.227 8.227 8.056 0.171 19522 964 1 2 . 1 1 120 120 GLY N N 120 109.574 109.574 108.077 1.497 19522 965 1 2 . 1 1 120 120 GLY C C 120 180.495 180.495 173.410 7.085 19522 966 1 2 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.719 -1.326 19522 967 1 2 . 1 1 120 120 GLY H H 120 8.429 8.429 7.969 0.460 19522 968 1 2 . 1 1 121 121 THR N N 121 113.419 113.419 114.697 -1.278 19522 969 1 2 . 1 1 121 121 THR C C 121 178.096 178.096 174.826 3.270 19522 970 1 2 . 1 1 121 121 THR CA C 121 62.041 62.041 62.510 -0.469 19522 971 1 2 . 1 1 121 121 THR CB C 121 63.994 63.994 67.038 -3.044 19522 972 1 2 . 1 1 121 121 THR H H 121 7.774 7.774 8.438 -0.664 19522 973 1 2 . 1 1 122 122 ALA N N 122 121.876 121.876 123.126 -1.250 19522 974 1 2 . 1 1 122 122 ALA C C 122 177.397 177.397 176.728 0.669 19522 975 1 2 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.175 -0.551 19522 976 1 2 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.090 -1.565 19522 977 1 2 . 1 1 122 122 ALA H H 122 7.944 7.944 7.422 0.522 19522 978 1 2 . 1 1 123 123 TYR N N 123 120.931 120.931 113.846 7.085 19522 979 1 2 . 1 1 123 123 TYR C C 123 176.060 176.060 177.175 -1.115 19522 980 1 2 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.816 1.240 19522 981 1 2 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.070 -1.588 19522 982 1 2 . 1 1 123 123 TYR H H 123 8.748 8.748 7.681 1.067 19522 983 1 2 . 1 1 124 124 GLN N N 124 115.002 115.002 121.773 -6.771 19522 984 1 2 . 1 1 124 124 GLN C C 124 178.098 178.098 178.441 -0.343 19522 985 1 2 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.411 -0.771 19522 986 1 2 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.647 -2.131 19522 987 1 2 . 1 1 124 124 GLN H H 124 8.454 8.454 8.211 0.243 19522 988 1 2 . 1 1 125 125 SER N N 125 114.135 114.135 116.191 -2.056 19522 989 1 2 . 1 1 125 125 SER C C 125 179.557 179.557 176.259 3.298 19522 990 1 2 . 1 1 125 125 SER CA C 125 61.357 61.357 61.247 0.110 19522 991 1 2 . 1 1 125 125 SER CB C 125 61.357 61.357 62.892 -1.535 19522 992 1 2 . 1 1 125 125 SER H H 125 7.283 7.283 7.865 -0.582 19522 993 1 2 . 1 1 126 126 PHE N N 126 113.327 113.327 123.854 -10.527 19522 994 1 2 . 1 1 126 126 PHE C C 126 174.879 174.879 177.039 -2.160 19522 995 1 2 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.770 0.347 19522 996 1 2 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.262 -1.559 19522 997 1 2 . 1 1 126 126 PHE H H 126 6.606 6.606 7.502 -0.896 19522 998 1 2 . 1 1 127 127 GLU N N 127 119.398 119.398 118.998 0.400 19522 999 1 2 . 1 1 127 127 GLU C C 127 176.857 176.857 179.068 -2.211 19522 1000 1 2 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.707 -1.649 19522 1001 1 2 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.051 -0.161 19522 1002 1 2 . 1 1 127 127 GLU H H 127 8.546 8.546 8.127 0.419 19522 1003 1 2 . 1 1 128 128 GLN N N 128 114.754 114.754 119.217 -4.463 19522 1004 1 2 . 1 1 128 128 GLN C C 128 178.356 178.356 178.648 -0.292 19522 1005 1 2 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.582 -0.502 19522 1006 1 2 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.454 -1.459 19522 1007 1 2 . 1 1 128 128 GLN H H 128 7.525 7.525 7.975 -0.450 19522 1008 1 2 . 1 1 129 129 VAL N N 129 118.194 118.194 119.656 -1.462 19522 1009 1 2 . 1 1 129 129 VAL C C 129 177.756 177.756 178.073 -0.317 19522 1010 1 2 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.213 -1.123 19522 1011 1 2 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.233 -0.984 19522 1012 1 2 . 1 1 129 129 VAL H H 129 7.036 7.036 7.498 -0.462 19522 1013 1 2 . 1 1 130 130 VAL N N 130 119.459 119.459 119.350 0.109 19522 1014 1 2 . 1 1 130 130 VAL C C 130 177.714 177.714 177.630 0.084 19522 1015 1 2 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.274 -0.865 19522 1016 1 2 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.299 -0.827 19522 1017 1 2 . 1 1 130 130 VAL H H 130 7.831 7.831 8.257 -0.426 19522 1018 1 2 . 1 1 131 131 ASN N N 131 117.212 117.212 117.493 -0.281 19522 1019 1 2 . 1 1 131 131 ASN C C 131 178.775 178.775 177.342 1.433 19522 1020 1 2 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.618 -1.974 19522 1021 1 2 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.525 -2.260 19522 1022 1 2 . 1 1 131 131 ASN H H 131 8.374 8.374 8.316 0.058 19522 1023 1 2 . 1 1 132 132 GLU N N 132 118.393 118.393 119.132 -0.739 19522 1024 1 2 . 1 1 132 132 GLU C C 132 179.097 179.097 179.126 -0.029 19522 1025 1 2 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.971 -0.993 19522 1026 1 2 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.125 -1.753 19522 1027 1 2 . 1 1 132 132 GLU H H 132 7.226 7.226 7.452 -0.226 19522 1028 1 2 . 1 1 133 133 LEU N N 133 120.835 120.835 120.690 0.145 19522 1029 1 2 . 1 1 133 133 LEU C C 133 178.016 178.016 177.879 0.137 19522 1030 1 2 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.486 -0.685 19522 1031 1 2 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.614 -1.833 19522 1032 1 2 . 1 1 133 133 LEU H H 133 7.467 7.467 7.313 0.154 19522 1033 1 2 . 1 1 134 134 PHE N N 134 112.847 112.847 116.797 -3.950 19522 1034 1 2 . 1 1 134 134 PHE C C 134 176.258 176.258 176.997 -0.739 19522 1035 1 2 . 1 1 134 134 PHE CA C 134 56.539 56.539 58.791 -2.252 19522 1036 1 2 . 1 1 134 134 PHE CB C 134 37.863 37.863 37.959 -0.096 19522 1037 1 2 . 1 1 134 134 PHE H H 134 6.926 6.926 7.379 -0.453 19522 1038 1 2 . 1 1 135 135 ARG N N 135 123.664 123.664 118.189 5.475 19522 1039 1 2 . 1 1 135 135 ARG C C 135 176.957 176.957 176.566 0.391 19522 1040 1 2 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.905 1.032 19522 1041 1 2 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.537 -2.526 19522 1042 1 2 . 1 1 135 135 ARG H H 135 7.144 7.144 7.532 -0.388 19522 1043 1 2 . 1 1 136 136 ASP N N 136 116.448 116.448 116.383 0.065 19522 1044 1 2 . 1 1 136 136 ASP C C 136 175.339 175.339 176.795 -1.456 19522 1045 1 2 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.252 -0.909 19522 1046 1 2 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.683 -5.085 19522 1047 1 2 . 1 1 136 136 ASP H H 136 8.607 8.607 7.567 1.040 19522 1048 1 2 . 1 1 137 137 GLY N N 137 108.506 108.506 109.115 -0.609 19522 1049 1 2 . 1 1 137 137 GLY C C 137 172.324 172.324 173.775 -1.451 19522 1050 1 2 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.618 -1.823 19522 1051 1 2 . 1 1 137 137 GLY H H 137 7.468 7.468 8.353 -0.885 19522 1052 1 2 . 1 1 138 138 VAL N N 138 120.519 120.519 122.792 -2.273 19522 1053 1 2 . 1 1 138 138 VAL C C 138 174.160 174.160 174.989 -0.829 19522 1054 1 2 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.603 0.290 19522 1055 1 2 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.500 1.308 19522 1056 1 2 . 1 1 138 138 VAL H H 138 8.181 8.181 8.442 -0.261 19522 1057 1 2 . 1 1 139 139 ASN N N 139 115.573 115.573 122.162 -6.589 19522 1058 1 2 . 1 1 139 139 ASN C C 139 174.959 174.959 175.735 -0.776 19522 1059 1 2 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.194 -0.169 19522 1060 1 2 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.190 -1.551 19522 1061 1 2 . 1 1 139 139 ASN H H 139 6.261 6.261 7.850 -1.589 19522 1062 1 2 . 1 1 140 140 TRP N N 140 118.231 118.231 126.932 -8.701 19522 1063 1 2 . 1 1 140 140 TRP C C 140 177.976 177.976 177.754 0.222 19522 1064 1 2 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.584 0.550 19522 1065 1 2 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.992 -0.383 19522 1066 1 2 . 1 1 140 140 TRP H H 140 8.413 8.413 8.957 -0.544 19522 1067 1 2 . 1 1 141 141 GLY N N 141 106.238 106.238 105.639 0.599 19522 1068 1 2 . 1 1 141 141 GLY C C 141 177.297 177.297 175.580 1.717 19522 1069 1 2 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.999 0.472 19522 1070 1 2 . 1 1 141 141 GLY H H 141 8.494 8.494 9.052 -0.558 19522 1071 1 2 . 1 1 142 142 ARG N N 142 121.156 121.156 122.012 -0.856 19522 1072 1 2 . 1 1 142 142 ARG C C 142 177.457 177.457 177.998 -0.541 19522 1073 1 2 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.344 0.153 19522 1074 1 2 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.312 -0.703 19522 1075 1 2 . 1 1 142 142 ARG H H 142 8.104 8.104 7.566 0.538 19522 1076 1 2 . 1 1 143 143 ILE N N 143 120.888 120.888 120.354 0.534 19522 1077 1 2 . 1 1 143 143 ILE C C 143 177.756 177.756 177.106 0.650 19522 1078 1 2 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.230 1.659 19522 1079 1 2 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.969 -2.366 19522 1080 1 2 . 1 1 143 143 ILE H H 143 7.696 7.696 8.243 -0.547 19522 1081 1 2 . 1 1 144 144 VAL N N 144 120.958 120.958 119.867 1.091 19522 1082 1 2 . 1 1 144 144 VAL C C 144 177.557 177.557 177.716 -0.159 19522 1083 1 2 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.561 0.527 19522 1084 1 2 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.012 0.077 19522 1085 1 2 . 1 1 144 144 VAL H H 144 8.229 8.229 7.633 0.596 19522 1086 1 2 . 1 1 145 145 ALA N N 145 121.229 121.229 122.923 -1.694 19522 1087 1 2 . 1 1 145 145 ALA C C 145 177.999 177.999 179.214 -1.215 19522 1088 1 2 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.871 -0.809 19522 1089 1 2 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.137 -1.154 19522 1090 1 2 . 1 1 145 145 ALA H H 145 7.579 7.579 7.319 0.260 19522 1091 1 2 . 1 1 146 146 PHE N N 146 119.338 119.338 120.108 -0.770 19522 1092 1 2 . 1 1 146 146 PHE C C 146 179.432 179.432 177.109 2.323 19522 1093 1 2 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.917 -0.748 19522 1094 1 2 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.030 -1.167 19522 1095 1 2 . 1 1 146 146 PHE H H 146 7.985 7.985 8.028 -0.043 19522 1096 1 2 . 1 1 147 147 PHE N N 147 119.900 119.900 117.402 2.498 19522 1097 1 2 . 1 1 147 147 PHE C C 147 177.399 177.399 177.673 -0.274 19522 1098 1 2 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.307 -3.188 19522 1099 1 2 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.402 1.036 19522 1100 1 2 . 1 1 147 147 PHE H H 147 7.824 7.824 8.274 -0.450 19522 1101 1 2 . 1 1 148 148 SER N N 148 114.725 114.725 116.639 -1.914 19522 1102 1 2 . 1 1 148 148 SER C C 148 177.357 177.357 176.176 1.181 19522 1103 1 2 . 1 1 148 148 SER CA C 148 63.115 63.115 62.308 0.807 19522 1104 1 2 . 1 1 148 148 SER CB C 148 61.893 61.893 62.461 -0.568 19522 1105 1 2 . 1 1 148 148 SER H H 148 8.423 8.423 7.973 0.450 19522 1106 1 2 . 1 1 149 149 PHE N N 149 124.361 124.361 121.266 3.095 19522 1107 1 2 . 1 1 149 149 PHE C C 149 176.338 176.338 178.017 -1.679 19522 1108 1 2 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.474 -2.138 19522 1109 1 2 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.392 -1.111 19522 1110 1 2 . 1 1 149 149 PHE H H 149 9.097 9.097 8.341 0.756 19522 1111 1 2 . 1 1 150 150 GLY N N 150 105.935 105.935 105.942 -0.007 19522 1112 1 2 . 1 1 150 150 GLY C C 150 176.398 176.398 176.184 0.214 19522 1113 1 2 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.788 0.242 19522 1114 1 2 . 1 1 150 150 GLY H H 150 7.937 7.937 7.863 0.074 19522 1115 1 2 . 1 1 151 151 GLY N N 151 107.449 107.449 110.231 -2.782 19522 1116 1 2 . 1 1 151 151 GLY C C 151 174.300 174.300 176.008 -1.708 19522 1117 1 2 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.716 0.234 19522 1118 1 2 . 1 1 151 151 GLY H H 151 8.803 8.803 8.395 0.408 19522 1119 1 2 . 1 1 152 152 ALA N N 152 124.384 124.384 125.119 -0.735 19522 1120 1 2 . 1 1 152 152 ALA C C 152 177.636 177.636 179.338 -1.702 19522 1121 1 2 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.743 -0.601 19522 1122 1 2 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.361 -1.298 19522 1123 1 2 . 1 1 152 152 ALA H H 152 8.232 8.232 8.151 0.081 19522 1124 1 2 . 1 1 153 153 LEU N N 153 118.871 118.871 119.952 -1.081 19522 1125 1 2 . 1 1 153 153 LEU C C 153 179.937 179.937 178.723 1.214 19522 1126 1 2 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.666 -1.078 19522 1127 1 2 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.696 -1.036 19522 1128 1 2 . 1 1 153 153 LEU H H 153 8.159 8.159 7.936 0.223 19522 1129 1 2 . 1 1 154 154 CYS N N 154 118.554 118.554 118.975 -0.421 19522 1130 1 2 . 1 1 154 154 CYS C C 154 177.332 177.332 176.916 0.416 19522 1131 1 2 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.716 -2.420 19522 1132 1 2 . 1 1 154 154 CYS CB C 154 25.237 25.237 25.973 -0.736 19522 1133 1 2 . 1 1 154 154 CYS H H 154 8.049 8.049 8.584 -0.535 19522 1134 1 2 . 1 1 155 155 VAL N N 155 118.474 118.474 122.129 -3.655 19522 1135 1 2 . 1 1 155 155 VAL C C 155 175.723 175.723 178.466 -2.743 19522 1136 1 2 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.114 -0.985 19522 1137 1 2 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.796 -0.068 19522 1138 1 2 . 1 1 155 155 VAL H H 155 8.016 8.016 7.521 0.495 19522 1139 1 2 . 1 1 156 156 GLU N N 156 119.114 119.114 118.421 0.693 19522 1140 1 2 . 1 1 156 156 GLU C C 156 178.036 178.036 179.003 -0.967 19522 1141 1 2 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.212 3.066 19522 1142 1 2 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.928 -1.476 19522 1143 1 2 . 1 1 156 156 GLU H H 156 8.025 8.025 7.877 0.148 19522 1144 1 2 . 1 1 157 157 SER N N 157 113.391 113.391 116.499 -3.108 19522 1145 1 2 . 1 1 157 157 SER C C 157 175.299 175.299 176.277 -0.978 19522 1146 1 2 . 1 1 157 157 SER CA C 157 62.373 62.373 62.271 0.102 19522 1147 1 2 . 1 1 157 157 SER CB C 157 60.854 60.854 63.187 -2.333 19522 1148 1 2 . 1 1 157 157 SER H H 157 7.629 7.629 7.934 -0.305 19522 1149 1 2 . 1 1 158 158 VAL N N 158 120.493 120.493 121.112 -0.619 19522 1150 1 2 . 1 1 158 158 VAL C C 158 173.977 173.977 177.440 -3.463 19522 1151 1 2 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.589 1.140 19522 1152 1 2 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.042 -1.433 19522 1153 1 2 . 1 1 158 158 VAL H H 158 7.374 7.374 7.606 -0.232 19522 1154 1 2 . 1 1 159 159 ASP N N 159 123.215 123.215 121.598 1.617 19522 1155 1 2 . 1 1 159 159 ASP C C 159 177.696 177.696 177.524 0.172 19522 1156 1 2 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.580 0.040 19522 1157 1 2 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.918 -1.000 19522 1158 1 2 . 1 1 159 159 ASP H H 159 8.309 8.309 8.295 0.014 19522 1159 1 2 . 1 1 160 160 LYS N N 160 115.648 115.648 118.078 -2.430 19522 1160 1 2 . 1 1 160 160 LYS C C 160 174.839 174.839 175.468 -0.629 19522 1161 1 2 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.724 -0.623 19522 1162 1 2 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.974 -2.486 19522 1163 1 2 . 1 1 160 160 LYS H H 160 7.541 7.541 7.433 0.108 19522 1164 1 2 . 1 1 161 161 GLU N N 161 113.911 113.911 117.635 -3.724 19522 1165 1 2 . 1 1 161 161 GLU C C 161 175.781 175.781 176.671 -0.890 19522 1166 1 2 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.204 -1.425 19522 1167 1 2 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.872 -2.818 19522 1168 1 2 . 1 1 161 161 GLU H H 161 7.842 7.842 8.042 -0.200 19522 1169 1 2 . 1 1 162 162 MET N N 162 118.882 118.882 116.102 2.780 19522 1170 1 2 . 1 1 162 162 MET C C 162 176.597 176.597 177.243 -0.646 19522 1171 1 2 . 1 1 162 162 MET CA C 162 52.646 52.646 57.259 -4.613 19522 1172 1 2 . 1 1 162 162 MET CB C 162 30.488 30.488 33.774 -3.286 19522 1173 1 2 . 1 1 162 162 MET H H 162 8.420 8.420 8.506 -0.086 19522 1174 1 2 . 1 1 163 163 GLN N N 163 119.366 119.366 117.693 1.673 19522 1175 1 2 . 1 1 163 163 GLN C C 163 177.397 177.397 176.942 0.455 19522 1176 1 2 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.626 0.550 19522 1177 1 2 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.161 -1.068 19522 1178 1 2 . 1 1 163 163 GLN H H 163 8.615 8.615 8.065 0.550 19522 1179 1 2 . 1 1 164 164 VAL N N 164 116.957 116.957 120.655 -3.698 19522 1180 1 2 . 1 1 164 164 VAL C C 164 175.459 175.459 177.500 -2.041 19522 1181 1 2 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.755 -2.903 19522 1182 1 2 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.255 -1.165 19522 1183 1 2 . 1 1 164 164 VAL H H 164 7.938 7.938 8.031 -0.093 19522 1184 1 2 . 1 1 165 165 LEU N N 165 117.124 117.124 119.291 -2.167 19522 1185 1 2 . 1 1 165 165 LEU C C 165 177.714 177.714 178.313 -0.599 19522 1186 1 2 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.056 -2.373 19522 1187 1 2 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.859 -2.181 19522 1188 1 2 . 1 1 165 165 LEU H H 165 7.741 7.741 7.746 -0.005 19522 1189 1 2 . 1 1 166 166 VAL N N 166 119.434 119.434 118.130 1.304 19522 1190 1 2 . 1 1 166 166 VAL C C 166 176.817 176.817 177.982 -1.165 19522 1191 1 2 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.600 1.248 19522 1192 1 2 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.090 -1.720 19522 1193 1 2 . 1 1 166 166 VAL H H 166 7.342 7.342 7.855 -0.513 19522 1194 1 2 . 1 1 167 167 SER N N 167 110.775 110.775 116.660 -5.885 19522 1195 1 2 . 1 1 167 167 SER C C 167 176.737 176.737 176.857 -0.120 19522 1196 1 2 . 1 1 167 167 SER CA C 167 60.215 60.215 62.243 -2.028 19522 1197 1 2 . 1 1 167 167 SER CB C 167 61.654 61.654 62.391 -0.737 19522 1198 1 2 . 1 1 167 167 SER H H 167 8.099 8.099 8.344 -0.245 19522 1199 1 2 . 1 1 168 168 ARG N N 168 122.916 122.916 120.932 1.984 19522 1200 1 2 . 1 1 168 168 ARG C C 168 175.439 175.439 178.251 -2.812 19522 1201 1 2 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.903 2.712 19522 1202 1 2 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.747 -1.736 19522 1203 1 2 . 1 1 168 168 ARG H H 168 6.596 6.596 8.002 -1.406 19522 1204 1 2 . 1 1 169 169 ILE N N 169 118.335 118.335 120.340 -2.005 19522 1205 1 2 . 1 1 169 169 ILE C C 169 177.779 177.779 177.702 0.077 19522 1206 1 2 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.298 -1.167 19522 1207 1 2 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.643 -0.682 19522 1208 1 2 . 1 1 169 169 ILE H H 169 7.928 7.928 7.646 0.282 19522 1209 1 2 . 1 1 170 170 ALA N N 170 119.271 119.271 121.302 -2.031 19522 1210 1 2 . 1 1 170 170 ALA C C 170 179.195 179.195 179.227 -0.032 19522 1211 1 2 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.337 -1.435 19522 1212 1 2 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.842 -1.018 19522 1213 1 2 . 1 1 170 170 ALA H H 170 7.672 7.672 8.313 -0.641 19522 1214 1 2 . 1 1 171 171 ALA N N 171 120.393 120.393 121.596 -1.203 19522 1215 1 2 . 1 1 171 171 ALA C C 171 180.833 180.833 179.423 1.410 19522 1216 1 2 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.617 -0.475 19522 1217 1 2 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.809 -1.305 19522 1218 1 2 . 1 1 171 171 ALA H H 171 7.258 7.258 7.272 -0.014 19522 1219 1 2 . 1 1 172 172 TRP N N 172 121.501 121.501 118.705 2.796 19522 1220 1 2 . 1 1 172 172 TRP C C 172 179.350 179.350 178.393 0.957 19522 1221 1 2 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.023 -2.003 19522 1222 1 2 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.566 -1.274 19522 1223 1 2 . 1 1 172 172 TRP H H 172 8.936 8.936 7.901 1.035 19522 1224 1 2 . 1 1 173 173 MET N N 173 117.211 117.211 119.383 -2.172 19522 1225 1 2 . 1 1 173 173 MET C C 173 176.158 176.158 178.156 -1.998 19522 1226 1 2 . 1 1 173 173 MET CA C 173 60.238 60.238 59.346 0.892 19522 1227 1 2 . 1 1 173 173 MET CB C 173 28.833 28.833 32.867 -4.034 19522 1228 1 2 . 1 1 173 173 MET H H 173 8.885 8.885 8.471 0.414 19522 1229 1 2 . 1 1 174 174 ALA N N 174 120.901 120.901 120.810 0.091 19522 1230 1 2 . 1 1 174 174 ALA C C 174 178.875 178.875 179.577 -0.702 19522 1231 1 2 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.633 -0.772 19522 1232 1 2 . 1 1 174 174 ALA CB C 174 16.687 16.687 17.982 -1.295 19522 1233 1 2 . 1 1 174 174 ALA H H 174 8.206 8.206 8.398 -0.192 19522 1234 1 2 . 1 1 175 175 THR N N 175 116.591 116.591 117.244 -0.653 19522 1235 1 2 . 1 1 175 175 THR C C 175 174.782 174.782 176.678 -1.896 19522 1236 1 2 . 1 1 175 175 THR CA C 175 66.209 66.209 67.055 -0.846 19522 1237 1 2 . 1 1 175 175 THR CB C 175 68.046 68.046 68.649 -0.603 19522 1238 1 2 . 1 1 175 175 THR H H 175 8.530 8.530 7.837 0.693 19522 1239 1 2 . 1 1 176 176 TYR N N 176 123.375 123.375 123.029 0.346 19522 1240 1 2 . 1 1 176 176 TYR C C 176 179.255 179.255 177.381 1.874 19522 1241 1 2 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.875 0.498 19522 1242 1 2 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.855 -0.993 19522 1243 1 2 . 1 1 176 176 TYR H H 176 8.822 8.822 8.353 0.469 19522 1244 1 2 . 1 1 177 177 LEU N N 177 119.511 119.511 120.853 -1.342 19522 1245 1 2 . 1 1 177 177 LEU C C 177 177.979 177.979 178.287 -0.308 19522 1246 1 2 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.509 -0.052 19522 1247 1 2 . 1 1 177 177 LEU CB C 177 41.276 41.276 42.023 -0.747 19522 1248 1 2 . 1 1 177 177 LEU H H 177 8.759 8.759 8.841 -0.082 19522 1249 1 2 . 1 1 178 178 ASN N N 178 117.233 117.233 116.714 0.519 19522 1250 1 2 . 1 1 178 178 ASN C C 178 176.021 176.021 176.800 -0.779 19522 1251 1 2 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.980 -0.137 19522 1252 1 2 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.535 -0.432 19522 1253 1 2 . 1 1 178 178 ASN H H 178 8.333 8.333 8.027 0.306 19522 1254 1 2 . 1 1 179 179 ASP N N 179 115.264 115.264 119.180 -3.916 19522 1255 1 2 . 1 1 179 179 ASP C C 179 177.557 177.557 176.860 0.697 19522 1256 1 2 . 1 1 179 179 ASP CA C 179 55.900 55.900 57.034 -1.134 19522 1257 1 2 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.343 -2.064 19522 1258 1 2 . 1 1 179 179 ASP H H 179 8.451 8.451 7.974 0.477 19522 1259 1 2 . 1 1 180 180 HIS N N 180 111.728 111.728 115.462 -3.734 19522 1260 1 2 . 1 1 180 180 HIS C C 180 175.479 175.479 177.067 -1.588 19522 1261 1 2 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.401 -0.980 19522 1262 1 2 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.778 -3.169 19522 1263 1 2 . 1 1 180 180 HIS H H 180 8.073 8.073 7.637 0.436 19522 1264 1 2 . 1 1 181 181 LEU N N 181 116.833 116.833 122.100 -5.267 19522 1265 1 2 . 1 1 181 181 LEU C C 181 176.160 176.160 178.444 -2.284 19522 1266 1 2 . 1 1 181 181 LEU CA C 181 55.021 55.021 59.048 -4.027 19522 1267 1 2 . 1 1 181 181 LEU CB C 181 41.756 41.756 42.098 -0.342 19522 1268 1 2 . 1 1 181 181 LEU H H 181 7.183 7.183 7.808 -0.625 19522 1269 1 2 . 1 1 182 182 GLU N N 182 121.364 121.364 118.715 2.649 19522 1270 1 2 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.739 -0.725 19522 1271 1 2 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.673 -1.717 19522 1272 1 2 . 1 1 182 182 GLU H H 182 8.596 8.596 8.786 -0.190 19522 1273 1 2 . 1 1 184 184 TRP N N 184 117.804 117.804 119.437 -1.633 19522 1274 1 2 . 1 1 184 184 TRP C C 184 179.217 179.217 177.738 1.479 19522 1275 1 2 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.125 6.547 19522 1276 1 2 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.171 -1.098 19522 1277 1 2 . 1 1 184 184 TRP H H 184 7.070 7.070 7.658 -0.588 19522 1278 1 2 . 1 1 185 185 ILE N N 185 121.825 121.825 119.099 2.726 19522 1279 1 2 . 1 1 185 185 ILE C C 185 178.655 178.655 178.414 0.241 19522 1280 1 2 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.968 0.304 19522 1281 1 2 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.881 -1.936 19522 1282 1 2 . 1 1 185 185 ILE H H 185 8.396 8.396 8.313 0.083 19522 1283 1 2 . 1 1 186 186 GLN N N 186 116.489 116.489 116.396 0.093 19522 1284 1 2 . 1 1 186 186 GLN C C 186 179.035 179.035 176.398 2.637 19522 1285 1 2 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.003 0.815 19522 1286 1 2 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.614 -0.801 19522 1287 1 2 . 1 1 186 186 GLN H H 186 8.374 8.374 7.721 0.653 19522 1288 1 2 . 1 1 187 187 GLU N N 187 118.764 118.764 118.086 0.678 19522 1289 1 2 . 1 1 187 187 GLU C C 187 176.458 176.458 177.081 -0.623 19522 1290 1 2 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.595 0.424 19522 1291 1 2 . 1 1 187 187 GLU CB C 187 28.411 28.411 31.763 -3.352 19522 1292 1 2 . 1 1 187 187 GLU H H 187 7.515 7.515 7.594 -0.079 19522 1293 1 2 . 1 1 188 188 ASN N N 188 116.561 116.561 117.007 -0.446 19522 1294 1 2 . 1 1 188 188 ASN C C 188 173.620 173.620 174.546 -0.926 19522 1295 1 2 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.132 -0.269 19522 1296 1 2 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.321 -3.600 19522 1297 1 2 . 1 1 188 188 ASN H H 188 7.092 7.092 8.011 -0.919 19522 1298 1 2 . 1 1 189 189 GLY N N 189 104.897 104.897 105.103 -0.206 19522 1299 1 2 . 1 1 189 189 GLY C C 189 175.658 175.658 172.957 2.701 19522 1300 1 2 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.541 0.251 19522 1301 1 2 . 1 1 189 189 GLY H H 189 7.339 7.339 7.326 0.013 19522 1302 1 2 . 1 1 190 190 GLY N N 190 108.292 108.292 109.739 -1.447 19522 1303 1 2 . 1 1 190 190 GLY C C 190 173.021 173.021 174.827 -1.806 19522 1304 1 2 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.057 -1.703 19522 1305 1 2 . 1 1 190 190 GLY H H 190 8.462 8.462 9.363 -0.901 19522 1306 1 2 . 1 1 191 191 TRP N N 191 118.031 118.031 121.772 -3.741 19522 1307 1 2 . 1 1 191 191 TRP C C 191 178.136 178.136 177.401 0.735 19522 1308 1 2 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.402 -0.986 19522 1309 1 2 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.891 -0.241 19522 1310 1 2 . 1 1 191 191 TRP H H 191 8.673 8.673 8.450 0.223 19522 1311 1 2 . 1 1 192 192 ASP N N 192 117.298 117.298 118.654 -1.356 19522 1312 1 2 . 1 1 192 192 ASP C C 192 179.058 179.058 177.694 1.364 19522 1313 1 2 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.248 0.612 19522 1314 1 2 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.510 -0.231 19522 1315 1 2 . 1 1 192 192 ASP H H 192 8.846 8.846 7.864 0.982 19522 1316 1 2 . 1 1 193 193 THR N N 193 116.061 116.061 115.194 0.867 19522 1317 1 2 . 1 1 193 193 THR C C 193 174.979 174.979 176.087 -1.108 19522 1318 1 2 . 1 1 193 193 THR CA C 193 65.649 65.649 64.635 1.014 19522 1319 1 2 . 1 1 193 193 THR CB C 193 67.327 67.327 68.442 -1.115 19522 1320 1 2 . 1 1 193 193 THR H H 193 7.431 7.431 7.397 0.034 19522 1321 1 2 . 1 1 194 194 PHE N N 194 121.789 121.789 122.797 -1.008 19522 1322 1 2 . 1 1 194 194 PHE C C 194 176.418 176.418 176.844 -0.426 19522 1323 1 2 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.060 -0.046 19522 1324 1 2 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.335 -2.454 19522 1325 1 2 . 1 1 194 194 PHE H H 194 6.527 6.527 8.229 -1.702 19522 1326 1 2 . 1 1 195 195 VAL N N 195 116.988 116.988 117.724 -0.736 19522 1327 1 2 . 1 1 195 195 VAL C C 195 178.078 178.078 178.266 -0.188 19522 1328 1 2 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.589 -0.837 19522 1329 1 2 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.755 -0.267 19522 1330 1 2 . 1 1 195 195 VAL H H 195 7.747 7.747 8.228 -0.481 19522 1331 1 2 . 1 1 196 196 GLU N N 196 120.171 120.171 118.908 1.263 19522 1332 1 2 . 1 1 196 196 GLU C C 196 177.976 177.976 178.128 -0.152 19522 1333 1 2 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.171 -0.851 19522 1334 1 2 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.110 -0.437 19522 1335 1 2 . 1 1 196 196 GLU H H 196 7.497 7.497 7.976 -0.479 19522 1336 1 2 . 1 1 197 197 LEU N N 197 117.210 117.210 113.699 3.511 19522 1337 1 2 . 1 1 197 197 LEU C C 197 178.376 178.376 176.758 1.618 19522 1338 1 2 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.234 0.666 19522 1339 1 2 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.562 0.833 19522 1340 1 2 . 1 1 197 197 LEU H H 197 7.626 7.626 7.276 0.350 19522 1341 1 2 . 1 1 198 198 TYR N N 198 115.681 115.681 120.458 -4.777 19522 1342 1 2 . 1 1 198 198 TYR C C 198 176.577 176.577 176.668 -0.091 19522 1343 1 2 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.166 -0.789 19522 1344 1 2 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.848 -2.327 19522 1345 1 2 . 1 1 198 198 TYR H H 198 8.081 8.081 7.538 0.543 19522 1346 1 2 . 1 1 199 199 GLY N N 199 108.201 108.201 105.460 2.741 19522 1347 1 2 . 1 1 199 199 GLY C C 199 173.640 173.640 175.125 -1.485 19522 1348 1 2 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.241 -0.688 19522 1349 1 2 . 1 1 199 199 GLY H H 199 8.032 8.032 8.220 -0.188 19522 1350 1 2 . 1 1 200 200 ASN N N 200 118.385 118.385 118.611 -0.226 19522 1351 1 2 . 1 1 200 200 ASN C C 200 175.081 175.081 174.305 0.776 19522 1352 1 2 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.888 -0.104 19522 1353 1 2 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.417 -1.976 19522 1354 1 2 . 1 1 200 200 ASN H H 200 8.300 8.300 7.972 0.328 19522 1355 1 3 . 1 1 5 5 SER N N 5 116.171 116.171 121.525 -5.354 19522 1356 1 3 . 1 1 5 5 SER C C 5 174.320 174.320 174.591 -0.271 19522 1357 1 3 . 1 1 5 5 SER CA C 5 57.898 57.898 58.659 -0.761 19522 1358 1 3 . 1 1 5 5 SER CB C 5 62.533 62.533 63.478 -0.945 19522 1359 1 3 . 1 1 5 5 SER H H 5 8.224 8.224 8.611 -0.387 19522 1360 1 3 . 1 1 6 6 GLN N N 6 122.369 122.369 119.143 3.226 19522 1361 1 3 . 1 1 6 6 GLN C C 6 176.418 176.418 176.235 0.183 19522 1362 1 3 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.057 -0.157 19522 1363 1 3 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.278 1.532 19522 1364 1 3 . 1 1 6 6 GLN H H 6 8.337 8.337 8.612 -0.275 19522 1365 1 3 . 1 1 7 7 SER N N 7 116.584 116.584 115.565 1.019 19522 1366 1 3 . 1 1 7 7 SER C C 7 175.859 175.859 175.889 -0.030 19522 1367 1 3 . 1 1 7 7 SER CA C 7 56.260 56.260 61.020 -4.760 19522 1368 1 3 . 1 1 7 7 SER CB C 7 61.916 61.916 62.935 -1.019 19522 1369 1 3 . 1 1 7 7 SER H H 7 8.221 8.221 9.013 -0.792 19522 1370 1 3 . 1 1 8 8 ASN N N 8 119.373 119.373 120.616 -1.243 19522 1371 1 3 . 1 1 8 8 ASN C C 8 177.259 177.259 177.240 0.019 19522 1372 1 3 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.041 -2.834 19522 1373 1 3 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.266 -1.602 19522 1374 1 3 . 1 1 8 8 ASN H H 8 8.375 8.375 7.950 0.425 19522 1375 1 3 . 1 1 9 9 ARG N N 9 119.039 119.039 121.262 -2.223 19522 1376 1 3 . 1 1 9 9 ARG C C 9 176.977 176.977 178.585 -1.608 19522 1377 1 3 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.122 -1.116 19522 1378 1 3 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.073 1.237 19522 1379 1 3 . 1 1 9 9 ARG H H 9 7.815 7.815 8.517 -0.702 19522 1380 1 3 . 1 1 10 10 GLU N N 10 117.158 117.158 119.983 -2.825 19522 1381 1 3 . 1 1 10 10 GLU C C 10 179.475 179.475 178.964 0.511 19522 1382 1 3 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.253 -3.756 19522 1383 1 3 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.106 -0.113 19522 1384 1 3 . 1 1 10 10 GLU H H 10 7.949 7.949 8.055 -0.106 19522 1385 1 3 . 1 1 11 11 LEU N N 11 119.880 119.880 120.674 -0.794 19522 1386 1 3 . 1 1 11 11 LEU C C 11 178.096 178.096 178.779 -0.683 19522 1387 1 3 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.960 -0.759 19522 1388 1 3 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.349 -1.431 19522 1389 1 3 . 1 1 11 11 LEU H H 11 7.807 7.807 7.744 0.063 19522 1390 1 3 . 1 1 12 12 VAL N N 12 117.702 117.702 119.002 -1.300 19522 1391 1 3 . 1 1 12 12 VAL C C 12 176.377 176.377 178.457 -2.080 19522 1392 1 3 . 1 1 12 12 VAL CA C 12 67.088 67.088 66.873 0.215 19522 1393 1 3 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.091 -0.123 19522 1394 1 3 . 1 1 12 12 VAL H H 12 7.690 7.690 8.034 -0.344 19522 1395 1 3 . 1 1 13 13 VAL N N 13 116.258 116.258 116.061 0.197 19522 1396 1 3 . 1 1 13 13 VAL C C 13 178.416 178.416 177.341 1.075 19522 1397 1 3 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.975 -0.063 19522 1398 1 3 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.834 -2.241 19522 1399 1 3 . 1 1 13 13 VAL H H 13 8.225 8.225 7.901 0.324 19522 1400 1 3 . 1 1 14 14 ASP N N 14 120.362 120.362 122.101 -1.739 19522 1401 1 3 . 1 1 14 14 ASP C C 14 177.040 177.040 177.790 -0.750 19522 1402 1 3 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.640 0.338 19522 1403 1 3 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.194 1.064 19522 1404 1 3 . 1 1 14 14 ASP H H 14 7.967 7.967 8.234 -0.267 19522 1405 1 3 . 1 1 15 15 PHE N N 15 119.747 119.747 120.497 -0.750 19522 1406 1 3 . 1 1 15 15 PHE C C 15 177.876 177.876 177.273 0.603 19522 1407 1 3 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.467 1.008 19522 1408 1 3 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.122 -0.540 19522 1409 1 3 . 1 1 15 15 PHE H H 15 8.308 8.308 8.326 -0.018 19522 1410 1 3 . 1 1 16 16 LEU N N 16 116.203 116.203 119.599 -3.396 19522 1411 1 3 . 1 1 16 16 LEU C C 16 175.618 175.618 178.483 -2.865 19522 1412 1 3 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.243 -0.665 19522 1413 1 3 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.799 -1.459 19522 1414 1 3 . 1 1 16 16 LEU H H 16 8.718 8.718 7.978 0.740 19522 1415 1 3 . 1 1 17 17 SER N N 17 113.607 113.607 115.562 -1.955 19522 1416 1 3 . 1 1 17 17 SER C C 17 176.980 176.980 176.496 0.484 19522 1417 1 3 . 1 1 17 17 SER CA C 17 62.150 62.150 62.319 -0.169 19522 1418 1 3 . 1 1 17 17 SER CB C 17 60.854 60.854 62.812 -1.958 19522 1419 1 3 . 1 1 17 17 SER H H 17 8.338 8.338 8.179 0.159 19522 1420 1 3 . 1 1 18 18 TYR N N 18 124.591 124.591 122.603 1.988 19522 1421 1 3 . 1 1 18 18 TYR C C 18 177.996 177.996 176.929 1.067 19522 1422 1 3 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.898 -1.619 19522 1423 1 3 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.412 -2.067 19522 1424 1 3 . 1 1 18 18 TYR H H 18 8.228 8.228 8.348 -0.120 19522 1425 1 3 . 1 1 19 19 LYS N N 19 119.761 119.761 118.103 1.658 19522 1426 1 3 . 1 1 19 19 LYS C C 19 179.841 179.841 178.547 1.294 19522 1427 1 3 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.590 -1.506 19522 1428 1 3 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.434 -3.784 19522 1429 1 3 . 1 1 19 19 LYS H H 19 8.230 8.230 7.354 0.876 19522 1430 1 3 . 1 1 20 20 LEU N N 20 118.077 118.077 119.776 -1.699 19522 1431 1 3 . 1 1 20 20 LEU C C 20 179.654 179.654 177.537 2.117 19522 1432 1 3 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.789 1.189 19522 1433 1 3 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.877 -2.439 19522 1434 1 3 . 1 1 20 20 LEU H H 20 8.534 8.534 8.099 0.435 19522 1435 1 3 . 1 1 21 21 SER N N 21 117.073 117.073 111.291 5.782 19522 1436 1 3 . 1 1 21 21 SER C C 21 178.204 178.204 174.124 4.080 19522 1437 1 3 . 1 1 21 21 SER CA C 21 60.375 60.375 58.079 2.296 19522 1438 1 3 . 1 1 21 21 SER CB C 21 61.836 61.836 62.001 -0.165 19522 1439 1 3 . 1 1 21 21 SER H H 21 8.239 8.239 7.481 0.758 19522 1440 1 3 . 1 1 22 22 GLN N N 22 122.767 122.767 121.053 1.714 19522 1441 1 3 . 1 1 22 22 GLN C C 22 176.997 176.997 175.927 1.070 19522 1442 1 3 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.287 0.291 19522 1443 1 3 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.614 -2.482 19522 1444 1 3 . 1 1 22 22 GLN H H 22 7.632 7.632 7.513 0.119 19522 1445 1 3 . 1 1 23 23 LYS N N 23 116.016 116.016 116.569 -0.553 19522 1446 1 3 . 1 1 23 23 LYS C C 23 175.419 175.419 174.854 0.565 19522 1447 1 3 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.177 -3.234 19522 1448 1 3 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.324 -3.276 19522 1449 1 3 . 1 1 23 23 LYS H H 23 7.167 7.167 8.279 -1.112 19522 1450 1 3 . 1 1 24 24 GLY N N 24 105.329 105.329 108.758 -3.429 19522 1451 1 3 . 1 1 24 24 GLY C C 24 173.680 173.680 172.486 1.194 19522 1452 1 3 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.310 -0.997 19522 1453 1 3 . 1 1 24 24 GLY H H 24 7.504 7.504 8.276 -0.772 19522 1454 1 3 . 1 1 25 25 TYR N N 25 119.528 119.528 115.712 3.816 19522 1455 1 3 . 1 1 25 25 TYR C C 25 174.779 174.779 174.214 0.565 19522 1456 1 3 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.433 2.328 19522 1457 1 3 . 1 1 25 25 TYR CB C 25 39.301 39.301 39.049 0.252 19522 1458 1 3 . 1 1 25 25 TYR H H 25 7.817 7.817 7.256 0.561 19522 1459 1 3 . 1 1 26 26 SER N N 26 115.815 115.815 120.915 -5.100 19522 1460 1 3 . 1 1 26 26 SER C C 26 173.860 173.860 175.785 -1.925 19522 1461 1 3 . 1 1 26 26 SER CA C 26 56.083 56.083 57.312 -1.229 19522 1462 1 3 . 1 1 26 26 SER CB C 26 63.275 63.275 63.742 -0.467 19522 1463 1 3 . 1 1 26 26 SER H H 26 8.475 8.475 7.837 0.638 19522 1464 1 3 . 1 1 27 27 TRP N N 27 126.476 126.476 122.004 4.472 19522 1465 1 3 . 1 1 27 27 TRP C C 27 174.141 174.141 177.113 -2.972 19522 1466 1 3 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.528 -0.128 19522 1467 1 3 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.155 0.055 19522 1468 1 3 . 1 1 27 27 TRP H H 27 8.720 8.720 7.743 0.977 19522 1469 1 3 . 1 1 28 28 SER N N 28 114.011 114.011 114.460 -0.449 19522 1470 1 3 . 1 1 28 28 SER C C 28 172.859 172.859 175.324 -2.465 19522 1471 1 3 . 1 1 28 28 SER CA C 28 66.186 66.186 60.204 5.982 19522 1472 1 3 . 1 1 28 28 SER CB C 28 61.996 61.996 62.351 -0.355 19522 1473 1 3 . 1 1 28 28 SER H H 28 8.034 8.034 7.698 0.336 19522 1474 1 3 . 1 1 29 29 GLN N N 29 120.138 120.138 120.128 0.010 19522 1475 1 3 . 1 1 29 29 GLN C C 29 177.250 177.250 177.008 0.242 19522 1476 1 3 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.684 -2.514 19522 1477 1 3 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.216 -0.877 19522 1478 1 3 . 1 1 29 29 GLN H H 29 7.323 7.323 7.416 -0.093 19522 1479 1 3 . 1 1 30 30 PHE N N 30 113.775 113.775 118.629 -4.854 19522 1480 1 3 . 1 1 30 30 PHE C C 30 176.814 176.814 176.617 0.197 19522 1481 1 3 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.770 -3.607 19522 1482 1 3 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.660 -1.819 19522 1483 1 3 . 1 1 30 30 PHE H H 30 6.778 6.778 7.413 -0.635 19522 1484 1 3 . 1 1 87 87 ALA N N 87 124.732 124.732 124.709 0.023 19522 1485 1 3 . 1 1 87 87 ALA C C 87 175.941 175.941 177.241 -1.300 19522 1486 1 3 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.225 -2.375 19522 1487 1 3 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.367 -1.801 19522 1488 1 3 . 1 1 87 87 ALA H H 87 8.079 8.079 8.744 -0.665 19522 1489 1 3 . 1 1 88 88 ALA N N 88 121.664 121.664 120.714 0.950 19522 1490 1 3 . 1 1 88 88 ALA C C 88 177.523 177.523 177.975 -0.452 19522 1491 1 3 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.349 3.802 19522 1492 1 3 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.181 0.282 19522 1493 1 3 . 1 1 88 88 ALA H H 88 7.951 7.951 7.635 0.316 19522 1494 1 3 . 1 1 89 89 VAL N N 89 119.415 119.415 119.000 0.415 19522 1495 1 3 . 1 1 89 89 VAL C C 89 176.857 176.857 176.625 0.232 19522 1496 1 3 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.159 -4.323 19522 1497 1 3 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.504 -0.433 19522 1498 1 3 . 1 1 89 89 VAL H H 89 8.161 8.161 8.280 -0.119 19522 1499 1 3 . 1 1 90 90 LYS N N 90 121.221 121.221 118.216 3.005 19522 1500 1 3 . 1 1 90 90 LYS C C 90 175.559 175.559 178.363 -2.804 19522 1501 1 3 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.649 -3.566 19522 1502 1 3 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.911 -2.998 19522 1503 1 3 . 1 1 90 90 LYS H H 90 8.529 8.529 8.228 0.301 19522 1504 1 3 . 1 1 91 91 GLN N N 91 115.879 115.879 118.933 -3.054 19522 1505 1 3 . 1 1 91 91 GLN C C 91 176.950 176.950 178.117 -1.167 19522 1506 1 3 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.276 -0.355 19522 1507 1 3 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.204 -0.969 19522 1508 1 3 . 1 1 91 91 GLN H H 91 7.973 7.973 7.456 0.517 19522 1509 1 3 . 1 1 92 92 ALA N N 92 119.538 119.538 123.252 -3.714 19522 1510 1 3 . 1 1 92 92 ALA C C 92 179.537 179.537 179.918 -0.381 19522 1511 1 3 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.356 -1.111 19522 1512 1 3 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.416 -1.649 19522 1513 1 3 . 1 1 92 92 ALA H H 92 7.661 7.661 8.068 -0.407 19522 1514 1 3 . 1 1 93 93 LEU N N 93 120.236 120.236 118.559 1.677 19522 1515 1 3 . 1 1 93 93 LEU C C 93 179.075 179.075 179.311 -0.236 19522 1516 1 3 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.431 0.356 19522 1517 1 3 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.623 -0.066 19522 1518 1 3 . 1 1 93 93 LEU H H 93 8.544 8.544 8.433 0.111 19522 1519 1 3 . 1 1 94 94 ARG N N 94 118.361 118.361 120.279 -1.918 19522 1520 1 3 . 1 1 94 94 ARG C C 94 178.396 178.396 178.528 -0.132 19522 1521 1 3 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.682 0.054 19522 1522 1 3 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.701 -1.609 19522 1523 1 3 . 1 1 94 94 ARG H H 94 8.057 8.057 8.022 0.035 19522 1524 1 3 . 1 1 95 95 GLU N N 95 115.851 115.851 119.170 -3.319 19522 1525 1 3 . 1 1 95 95 GLU C C 95 179.794 179.794 179.056 0.738 19522 1526 1 3 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.649 -1.432 19522 1527 1 3 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.291 -1.200 19522 1528 1 3 . 1 1 95 95 GLU H H 95 7.737 7.737 7.871 -0.134 19522 1529 1 3 . 1 1 96 96 ALA N N 96 122.958 122.958 121.199 1.759 19522 1530 1 3 . 1 1 96 96 ALA C C 96 181.313 181.313 180.122 1.191 19522 1531 1 3 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.154 -0.853 19522 1532 1 3 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.400 -0.697 19522 1533 1 3 . 1 1 96 96 ALA H H 96 8.824 8.824 7.784 1.040 19522 1534 1 3 . 1 1 97 97 GLY N N 97 108.363 108.363 107.071 1.292 19522 1535 1 3 . 1 1 97 97 GLY C C 97 178.177 178.177 176.274 1.903 19522 1536 1 3 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.416 -1.425 19522 1537 1 3 . 1 1 97 97 GLY H H 97 9.088 9.088 8.426 0.662 19522 1538 1 3 . 1 1 98 98 ASP N N 98 122.197 122.197 122.163 0.034 19522 1539 1 3 . 1 1 98 98 ASP C C 98 178.715 178.715 178.668 0.047 19522 1540 1 3 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.339 -0.320 19522 1541 1 3 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.880 -2.401 19522 1542 1 3 . 1 1 98 98 ASP H H 98 8.102 8.102 8.253 -0.151 19522 1543 1 3 . 1 1 99 99 GLU N N 99 120.103 120.103 119.679 0.424 19522 1544 1 3 . 1 1 99 99 GLU C C 99 179.513 179.513 179.413 0.100 19522 1545 1 3 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.315 -5.563 19522 1546 1 3 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.593 -1.102 19522 1547 1 3 . 1 1 99 99 GLU H H 99 8.115 8.115 7.988 0.127 19522 1548 1 3 . 1 1 100 100 PHE N N 100 120.218 120.218 118.634 1.584 19522 1549 1 3 . 1 1 100 100 PHE C C 100 178.618 178.618 177.485 1.133 19522 1550 1 3 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.166 -3.706 19522 1551 1 3 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.174 1.162 19522 1552 1 3 . 1 1 100 100 PHE H H 100 8.535 8.535 8.186 0.349 19522 1553 1 3 . 1 1 101 101 GLU N N 101 117.531 117.531 121.103 -3.572 19522 1554 1 3 . 1 1 101 101 GLU C C 101 177.339 177.339 178.991 -1.652 19522 1555 1 3 . 1 1 101 101 GLU CA C 101 57.601 57.601 59.989 -2.388 19522 1556 1 3 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.795 -1.202 19522 1557 1 3 . 1 1 101 101 GLU H H 101 8.032 8.032 8.139 -0.107 19522 1558 1 3 . 1 1 102 102 LEU N N 102 116.641 116.641 115.935 0.706 19522 1559 1 3 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.890 -1.302 19522 1560 1 3 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.616 -0.843 19522 1561 1 3 . 1 1 102 102 LEU H H 102 7.369 7.369 7.874 -0.505 19522 1562 1 3 . 1 1 103 103 ARG N N 103 115.854 115.854 118.192 -2.338 19522 1563 1 3 . 1 1 103 103 ARG C C 103 177.605 177.605 177.862 -0.257 19522 1564 1 3 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.429 0.558 19522 1565 1 3 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.052 0.098 19522 1566 1 3 . 1 1 103 103 ARG H H 103 7.472 7.472 7.518 -0.046 19522 1567 1 3 . 1 1 104 104 TYR N N 104 119.078 119.078 119.132 -0.054 19522 1568 1 3 . 1 1 104 104 TYR C C 104 174.962 174.962 177.407 -2.445 19522 1569 1 3 . 1 1 104 104 TYR CA C 104 60.841 60.841 58.398 2.443 19522 1570 1 3 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.452 -1.823 19522 1571 1 3 . 1 1 104 104 TYR H H 104 7.904 7.904 7.853 0.051 19522 1572 1 3 . 1 1 105 105 ARG N N 105 119.378 119.378 118.555 0.823 19522 1573 1 3 . 1 1 105 105 ARG C C 105 178.395 178.395 177.225 1.170 19522 1574 1 3 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.779 1.142 19522 1575 1 3 . 1 1 105 105 ARG CB C 105 27.794 27.794 28.952 -1.158 19522 1576 1 3 . 1 1 105 105 ARG H H 105 7.195 7.195 8.266 -1.071 19522 1577 1 3 . 1 1 106 106 ARG N N 106 118.875 118.875 119.722 -0.847 19522 1578 1 3 . 1 1 106 106 ARG C C 106 177.257 177.257 176.200 1.057 19522 1579 1 3 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.747 1.168 19522 1580 1 3 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.381 -2.827 19522 1581 1 3 . 1 1 106 106 ARG H H 106 8.452 8.452 7.776 0.676 19522 1582 1 3 . 1 1 107 107 ALA N N 107 121.864 121.864 121.043 0.821 19522 1583 1 3 . 1 1 107 107 ALA C C 107 175.701 175.701 176.545 -0.844 19522 1584 1 3 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.819 0.825 19522 1585 1 3 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.114 -0.052 19522 1586 1 3 . 1 1 107 107 ALA H H 107 7.839 7.839 7.928 -0.089 19522 1587 1 3 . 1 1 108 108 PHE N N 108 121.984 121.984 116.360 5.624 19522 1588 1 3 . 1 1 108 108 PHE C C 108 174.982 174.982 175.639 -0.657 19522 1589 1 3 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.329 -0.287 19522 1590 1 3 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.620 0.218 19522 1591 1 3 . 1 1 108 108 PHE H H 108 8.392 8.392 8.149 0.243 19522 1592 1 3 . 1 1 109 109 SER N N 109 114.585 114.585 116.537 -1.952 19522 1593 1 3 . 1 1 109 109 SER C C 109 175.421 175.421 175.486 -0.065 19522 1594 1 3 . 1 1 109 109 SER CA C 109 55.044 55.044 56.787 -1.743 19522 1595 1 3 . 1 1 109 109 SER CB C 109 63.241 63.241 64.807 -1.566 19522 1596 1 3 . 1 1 109 109 SER H H 109 7.810 7.810 7.691 0.119 19522 1597 1 3 . 1 1 110 110 ASP N N 110 119.725 119.725 123.172 -3.447 19522 1598 1 3 . 1 1 110 110 ASP C C 110 178.196 178.196 177.873 0.323 19522 1599 1 3 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.789 -1.810 19522 1600 1 3 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.036 -2.196 19522 1601 1 3 . 1 1 110 110 ASP H H 110 8.380 8.380 8.658 -0.278 19522 1602 1 3 . 1 1 111 111 LEU N N 111 120.827 120.827 119.537 1.290 19522 1603 1 3 . 1 1 111 111 LEU C C 111 178.804 178.804 178.657 0.147 19522 1604 1 3 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.023 -0.923 19522 1605 1 3 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.684 -0.887 19522 1606 1 3 . 1 1 111 111 LEU H H 111 7.783 7.783 7.842 -0.059 19522 1607 1 3 . 1 1 112 112 THR N N 112 109.101 109.101 112.799 -3.698 19522 1608 1 3 . 1 1 112 112 THR C C 112 177.157 177.157 177.209 -0.052 19522 1609 1 3 . 1 1 112 112 THR CA C 112 64.690 64.690 66.232 -1.542 19522 1610 1 3 . 1 1 112 112 THR CB C 112 67.407 67.407 68.158 -0.751 19522 1611 1 3 . 1 1 112 112 THR H H 112 8.331 8.331 7.863 0.468 19522 1612 1 3 . 1 1 113 113 SER N N 113 115.811 115.811 117.678 -1.867 19522 1613 1 3 . 1 1 113 113 SER C C 113 175.319 175.319 176.150 -0.831 19522 1614 1 3 . 1 1 113 113 SER CA C 113 59.736 59.736 60.938 -1.202 19522 1615 1 3 . 1 1 113 113 SER CB C 113 62.213 62.213 62.978 -0.765 19522 1616 1 3 . 1 1 113 113 SER H H 113 7.645 7.645 7.789 -0.144 19522 1617 1 3 . 1 1 114 114 GLN N N 114 118.421 118.421 121.752 -3.331 19522 1618 1 3 . 1 1 114 114 GLN C C 114 175.978 175.978 177.356 -1.378 19522 1619 1 3 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.106 -1.647 19522 1620 1 3 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.617 -0.606 19522 1621 1 3 . 1 1 114 114 GLN H H 114 7.614 7.614 7.864 -0.250 19522 1622 1 3 . 1 1 115 115 LEU N N 115 118.236 118.236 118.122 0.114 19522 1623 1 3 . 1 1 115 115 LEU C C 115 176.198 176.198 177.187 -0.989 19522 1624 1 3 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.707 -0.903 19522 1625 1 3 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.837 -0.282 19522 1626 1 3 . 1 1 115 115 LEU H H 115 7.383 7.383 8.056 -0.673 19522 1627 1 3 . 1 1 116 116 HIS N N 116 119.694 119.694 117.064 2.630 19522 1628 1 3 . 1 1 116 116 HIS C C 116 174.122 174.122 174.228 -0.106 19522 1629 1 3 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.887 -0.508 19522 1630 1 3 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.289 -1.038 19522 1631 1 3 . 1 1 116 116 HIS H H 116 8.158 8.158 8.012 0.146 19522 1632 1 3 . 1 1 117 117 ILE N N 117 122.347 122.347 115.277 7.070 19522 1633 1 3 . 1 1 117 117 ILE C C 117 176.377 176.377 175.303 1.074 19522 1634 1 3 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.732 -1.015 19522 1635 1 3 . 1 1 117 117 ILE CB C 117 37.224 37.224 36.147 1.077 19522 1636 1 3 . 1 1 117 117 ILE H H 117 8.658 8.658 7.914 0.744 19522 1637 1 3 . 1 1 118 118 THR N N 118 115.798 115.798 119.814 -4.016 19522 1638 1 3 . 1 1 118 118 THR CA C 118 57.921 57.921 60.062 -2.141 19522 1639 1 3 . 1 1 118 118 THR CB C 118 63.434 63.434 68.867 -5.433 19522 1640 1 3 . 1 1 118 118 THR H H 118 8.227 8.227 8.148 0.079 19522 1641 1 3 . 1 1 120 120 GLY N N 120 109.574 109.574 108.301 1.273 19522 1642 1 3 . 1 1 120 120 GLY C C 120 180.495 180.495 173.707 6.788 19522 1643 1 3 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.865 -1.472 19522 1644 1 3 . 1 1 120 120 GLY H H 120 8.429 8.429 8.172 0.257 19522 1645 1 3 . 1 1 121 121 THR N N 121 113.419 113.419 114.633 -1.214 19522 1646 1 3 . 1 1 121 121 THR C C 121 178.096 178.096 175.100 2.996 19522 1647 1 3 . 1 1 121 121 THR CA C 121 62.041 62.041 62.781 -0.739 19522 1648 1 3 . 1 1 121 121 THR CB C 121 63.994 63.994 67.251 -3.257 19522 1649 1 3 . 1 1 121 121 THR H H 121 7.774 7.774 8.460 -0.686 19522 1650 1 3 . 1 1 122 122 ALA N N 122 121.876 121.876 123.434 -1.558 19522 1651 1 3 . 1 1 122 122 ALA C C 122 177.397 177.397 176.857 0.540 19522 1652 1 3 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.323 -0.699 19522 1653 1 3 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.294 -1.769 19522 1654 1 3 . 1 1 122 122 ALA H H 122 7.944 7.944 7.753 0.191 19522 1655 1 3 . 1 1 123 123 TYR N N 123 120.931 120.931 113.387 7.544 19522 1656 1 3 . 1 1 123 123 TYR C C 123 176.060 176.060 176.820 -0.760 19522 1657 1 3 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.815 1.240 19522 1658 1 3 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.240 -1.758 19522 1659 1 3 . 1 1 123 123 TYR H H 123 8.748 8.748 7.984 0.764 19522 1660 1 3 . 1 1 124 124 GLN N N 124 115.002 115.002 121.483 -6.481 19522 1661 1 3 . 1 1 124 124 GLN C C 124 178.098 178.098 178.239 -0.141 19522 1662 1 3 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.179 -0.539 19522 1663 1 3 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.384 -1.868 19522 1664 1 3 . 1 1 124 124 GLN H H 124 8.454 8.454 7.684 0.770 19522 1665 1 3 . 1 1 125 125 SER N N 125 114.135 114.135 115.456 -1.321 19522 1666 1 3 . 1 1 125 125 SER C C 125 179.557 179.557 176.138 3.419 19522 1667 1 3 . 1 1 125 125 SER CA C 125 61.357 61.357 61.315 0.042 19522 1668 1 3 . 1 1 125 125 SER CB C 125 61.357 61.357 62.705 -1.348 19522 1669 1 3 . 1 1 125 125 SER H H 125 7.283 7.283 7.677 -0.394 19522 1670 1 3 . 1 1 126 126 PHE N N 126 113.327 113.327 123.806 -10.479 19522 1671 1 3 . 1 1 126 126 PHE C C 126 174.879 174.879 176.938 -2.059 19522 1672 1 3 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.956 0.161 19522 1673 1 3 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.027 -1.324 19522 1674 1 3 . 1 1 126 126 PHE H H 126 6.606 6.606 8.122 -1.516 19522 1675 1 3 . 1 1 127 127 GLU N N 127 119.398 119.398 118.915 0.483 19522 1676 1 3 . 1 1 127 127 GLU C C 127 176.857 176.857 178.945 -2.088 19522 1677 1 3 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.835 -1.777 19522 1678 1 3 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.122 -0.232 19522 1679 1 3 . 1 1 127 127 GLU H H 127 8.546 8.546 7.974 0.572 19522 1680 1 3 . 1 1 128 128 GLN N N 128 114.754 114.754 119.404 -4.650 19522 1681 1 3 . 1 1 128 128 GLN C C 128 178.356 178.356 178.754 -0.398 19522 1682 1 3 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.611 -0.531 19522 1683 1 3 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.484 -1.489 19522 1684 1 3 . 1 1 128 128 GLN H H 128 7.525 7.525 8.168 -0.643 19522 1685 1 3 . 1 1 129 129 VAL N N 129 118.194 118.194 119.344 -1.150 19522 1686 1 3 . 1 1 129 129 VAL C C 129 177.756 177.756 178.824 -1.068 19522 1687 1 3 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.273 -1.183 19522 1688 1 3 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.572 -1.323 19522 1689 1 3 . 1 1 129 129 VAL H H 129 7.036 7.036 7.916 -0.880 19522 1690 1 3 . 1 1 130 130 VAL N N 130 119.459 119.459 119.992 -0.533 19522 1691 1 3 . 1 1 130 130 VAL C C 130 177.714 177.714 178.076 -0.362 19522 1692 1 3 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.227 -0.818 19522 1693 1 3 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.573 -1.101 19522 1694 1 3 . 1 1 130 130 VAL H H 130 7.831 7.831 8.388 -0.557 19522 1695 1 3 . 1 1 131 131 ASN N N 131 117.212 117.212 117.519 -0.307 19522 1696 1 3 . 1 1 131 131 ASN C C 131 178.775 178.775 176.999 1.776 19522 1697 1 3 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.451 -1.807 19522 1698 1 3 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.579 -2.314 19522 1699 1 3 . 1 1 131 131 ASN H H 131 8.374 8.374 8.657 -0.283 19522 1700 1 3 . 1 1 132 132 GLU N N 132 118.393 118.393 119.943 -1.550 19522 1701 1 3 . 1 1 132 132 GLU C C 132 179.097 179.097 177.929 1.168 19522 1702 1 3 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.744 -0.766 19522 1703 1 3 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.298 -1.926 19522 1704 1 3 . 1 1 132 132 GLU H H 132 7.226 7.226 7.551 -0.325 19522 1705 1 3 . 1 1 133 133 LEU N N 133 120.835 120.835 118.332 2.503 19522 1706 1 3 . 1 1 133 133 LEU C C 133 178.016 178.016 177.829 0.187 19522 1707 1 3 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.250 -0.448 19522 1708 1 3 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.536 -1.756 19522 1709 1 3 . 1 1 133 133 LEU H H 133 7.467 7.467 7.304 0.163 19522 1710 1 3 . 1 1 134 134 PHE N N 134 112.847 112.847 117.575 -4.728 19522 1711 1 3 . 1 1 134 134 PHE C C 134 176.258 176.258 177.435 -1.177 19522 1712 1 3 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.295 -3.756 19522 1713 1 3 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.314 -0.451 19522 1714 1 3 . 1 1 134 134 PHE H H 134 6.926 6.926 7.179 -0.253 19522 1715 1 3 . 1 1 135 135 ARG N N 135 123.664 123.664 117.652 6.012 19522 1716 1 3 . 1 1 135 135 ARG C C 135 176.957 176.957 176.710 0.247 19522 1717 1 3 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.373 0.564 19522 1718 1 3 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.296 -2.285 19522 1719 1 3 . 1 1 135 135 ARG H H 135 7.144 7.144 7.876 -0.732 19522 1720 1 3 . 1 1 136 136 ASP N N 136 116.448 116.448 115.801 0.647 19522 1721 1 3 . 1 1 136 136 ASP C C 136 175.339 175.339 176.814 -1.475 19522 1722 1 3 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.334 -0.991 19522 1723 1 3 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.556 -4.958 19522 1724 1 3 . 1 1 136 136 ASP H H 136 8.607 8.607 7.430 1.177 19522 1725 1 3 . 1 1 137 137 GLY N N 137 108.506 108.506 108.877 -0.371 19522 1726 1 3 . 1 1 137 137 GLY C C 137 172.324 172.324 173.783 -1.459 19522 1727 1 3 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.588 -1.793 19522 1728 1 3 . 1 1 137 137 GLY H H 137 7.468 7.468 8.233 -0.765 19522 1729 1 3 . 1 1 138 138 VAL N N 138 120.519 120.519 123.235 -2.716 19522 1730 1 3 . 1 1 138 138 VAL C C 138 174.160 174.160 174.712 -0.552 19522 1731 1 3 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.183 0.710 19522 1732 1 3 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.476 1.332 19522 1733 1 3 . 1 1 138 138 VAL H H 138 8.181 8.181 8.359 -0.178 19522 1734 1 3 . 1 1 139 139 ASN N N 139 115.573 115.573 121.828 -6.255 19522 1735 1 3 . 1 1 139 139 ASN C C 139 174.959 174.959 175.725 -0.766 19522 1736 1 3 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.291 -0.266 19522 1737 1 3 . 1 1 139 139 ASN CB C 139 38.639 38.639 39.262 -0.623 19522 1738 1 3 . 1 1 139 139 ASN H H 139 6.261 6.261 7.577 -1.316 19522 1739 1 3 . 1 1 140 140 TRP N N 140 118.231 118.231 126.473 -8.242 19522 1740 1 3 . 1 1 140 140 TRP C C 140 177.976 177.976 177.195 0.781 19522 1741 1 3 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.034 1.101 19522 1742 1 3 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.658 -0.049 19522 1743 1 3 . 1 1 140 140 TRP H H 140 8.413 8.413 8.880 -0.467 19522 1744 1 3 . 1 1 141 141 GLY N N 141 106.238 106.238 106.134 0.104 19522 1745 1 3 . 1 1 141 141 GLY C C 141 177.297 177.297 175.060 2.237 19522 1746 1 3 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.666 0.805 19522 1747 1 3 . 1 1 141 141 GLY H H 141 8.494 8.494 8.794 -0.300 19522 1748 1 3 . 1 1 142 142 ARG N N 142 121.156 121.156 122.200 -1.044 19522 1749 1 3 . 1 1 142 142 ARG C C 142 177.457 177.457 177.854 -0.397 19522 1750 1 3 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.622 -0.124 19522 1751 1 3 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.456 -0.847 19522 1752 1 3 . 1 1 142 142 ARG H H 142 8.104 8.104 7.877 0.227 19522 1753 1 3 . 1 1 143 143 ILE N N 143 120.888 120.888 120.171 0.717 19522 1754 1 3 . 1 1 143 143 ILE C C 143 177.756 177.756 176.836 0.920 19522 1755 1 3 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.382 1.507 19522 1756 1 3 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.919 -2.316 19522 1757 1 3 . 1 1 143 143 ILE H H 143 7.696 7.696 7.945 -0.249 19522 1758 1 3 . 1 1 144 144 VAL N N 144 120.958 120.958 118.495 2.463 19522 1759 1 3 . 1 1 144 144 VAL C C 144 177.557 177.557 177.590 -0.033 19522 1760 1 3 . 1 1 144 144 VAL CA C 144 67.088 67.088 65.896 1.192 19522 1761 1 3 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.370 -0.281 19522 1762 1 3 . 1 1 144 144 VAL H H 144 8.229 8.229 7.438 0.791 19522 1763 1 3 . 1 1 145 145 ALA N N 145 121.229 121.229 122.662 -1.433 19522 1764 1 3 . 1 1 145 145 ALA C C 145 177.999 177.999 178.901 -0.902 19522 1765 1 3 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.797 -0.735 19522 1766 1 3 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.041 -1.058 19522 1767 1 3 . 1 1 145 145 ALA H H 145 7.579 7.579 7.450 0.129 19522 1768 1 3 . 1 1 146 146 PHE N N 146 119.338 119.338 119.964 -0.626 19522 1769 1 3 . 1 1 146 146 PHE C C 146 179.432 179.432 177.079 2.353 19522 1770 1 3 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.354 -0.185 19522 1771 1 3 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.895 -1.032 19522 1772 1 3 . 1 1 146 146 PHE H H 146 7.985 7.985 8.027 -0.042 19522 1773 1 3 . 1 1 147 147 PHE N N 147 119.900 119.900 117.603 2.297 19522 1774 1 3 . 1 1 147 147 PHE C C 147 177.399 177.399 177.760 -0.361 19522 1775 1 3 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.236 -2.117 19522 1776 1 3 . 1 1 147 147 PHE CB C 147 39.438 39.438 37.900 1.538 19522 1777 1 3 . 1 1 147 147 PHE H H 147 7.824 7.824 8.177 -0.353 19522 1778 1 3 . 1 1 148 148 SER N N 148 114.725 114.725 116.448 -1.723 19522 1779 1 3 . 1 1 148 148 SER C C 148 177.357 177.357 176.674 0.683 19522 1780 1 3 . 1 1 148 148 SER CA C 148 63.115 63.115 62.282 0.833 19522 1781 1 3 . 1 1 148 148 SER CB C 148 61.893 61.893 62.399 -0.506 19522 1782 1 3 . 1 1 148 148 SER H H 148 8.423 8.423 8.079 0.344 19522 1783 1 3 . 1 1 149 149 PHE N N 149 124.361 124.361 121.811 2.550 19522 1784 1 3 . 1 1 149 149 PHE C C 149 176.338 176.338 178.281 -1.943 19522 1785 1 3 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.300 -1.964 19522 1786 1 3 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.467 -1.186 19522 1787 1 3 . 1 1 149 149 PHE H H 149 9.097 9.097 8.329 0.768 19522 1788 1 3 . 1 1 150 150 GLY N N 150 105.935 105.935 106.173 -0.238 19522 1789 1 3 . 1 1 150 150 GLY C C 150 176.398 176.398 176.313 0.085 19522 1790 1 3 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.798 0.232 19522 1791 1 3 . 1 1 150 150 GLY H H 150 7.937 7.937 7.940 -0.003 19522 1792 1 3 . 1 1 151 151 GLY N N 151 107.449 107.449 110.247 -2.798 19522 1793 1 3 . 1 1 151 151 GLY C C 151 174.300 174.300 175.987 -1.687 19522 1794 1 3 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.766 0.184 19522 1795 1 3 . 1 1 151 151 GLY H H 151 8.803 8.803 8.668 0.135 19522 1796 1 3 . 1 1 152 152 ALA N N 152 124.384 124.384 125.137 -0.753 19522 1797 1 3 . 1 1 152 152 ALA C C 152 177.636 177.636 179.416 -1.780 19522 1798 1 3 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.815 -0.673 19522 1799 1 3 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.515 -1.452 19522 1800 1 3 . 1 1 152 152 ALA H H 152 8.232 8.232 8.434 -0.202 19522 1801 1 3 . 1 1 153 153 LEU N N 153 118.871 118.871 119.969 -1.098 19522 1802 1 3 . 1 1 153 153 LEU C C 153 179.937 179.937 178.715 1.222 19522 1803 1 3 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.648 -1.060 19522 1804 1 3 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.802 -1.142 19522 1805 1 3 . 1 1 153 153 LEU H H 153 8.159 8.159 7.985 0.174 19522 1806 1 3 . 1 1 154 154 CYS N N 154 118.554 118.554 119.000 -0.446 19522 1807 1 3 . 1 1 154 154 CYS C C 154 177.332 177.332 176.932 0.400 19522 1808 1 3 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.716 -2.420 19522 1809 1 3 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.114 -0.877 19522 1810 1 3 . 1 1 154 154 CYS H H 154 8.049 8.049 8.513 -0.464 19522 1811 1 3 . 1 1 155 155 VAL N N 155 118.474 118.474 122.074 -3.600 19522 1812 1 3 . 1 1 155 155 VAL C C 155 175.723 175.723 178.482 -2.759 19522 1813 1 3 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.059 -0.930 19522 1814 1 3 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.792 -0.064 19522 1815 1 3 . 1 1 155 155 VAL H H 155 8.016 8.016 7.534 0.482 19522 1816 1 3 . 1 1 156 156 GLU N N 156 119.114 119.114 118.452 0.662 19522 1817 1 3 . 1 1 156 156 GLU C C 156 178.036 178.036 179.021 -0.985 19522 1818 1 3 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.164 3.114 19522 1819 1 3 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.939 -1.487 19522 1820 1 3 . 1 1 156 156 GLU H H 156 8.025 8.025 7.911 0.114 19522 1821 1 3 . 1 1 157 157 SER N N 157 113.391 113.391 116.510 -3.119 19522 1822 1 3 . 1 1 157 157 SER C C 157 175.299 175.299 176.205 -0.906 19522 1823 1 3 . 1 1 157 157 SER CA C 157 62.373 62.373 62.334 0.039 19522 1824 1 3 . 1 1 157 157 SER CB C 157 60.854 60.854 63.262 -2.408 19522 1825 1 3 . 1 1 157 157 SER H H 157 7.629 7.629 7.918 -0.289 19522 1826 1 3 . 1 1 158 158 VAL N N 158 120.493 120.493 121.162 -0.669 19522 1827 1 3 . 1 1 158 158 VAL C C 158 173.977 173.977 177.449 -3.472 19522 1828 1 3 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.429 1.300 19522 1829 1 3 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.951 -1.341 19522 1830 1 3 . 1 1 158 158 VAL H H 158 7.374 7.374 7.577 -0.203 19522 1831 1 3 . 1 1 159 159 ASP N N 159 123.215 123.215 121.940 1.275 19522 1832 1 3 . 1 1 159 159 ASP C C 159 177.696 177.696 177.610 0.086 19522 1833 1 3 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.678 -0.059 19522 1834 1 3 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.982 -1.064 19522 1835 1 3 . 1 1 159 159 ASP H H 159 8.309 8.309 8.290 0.019 19522 1836 1 3 . 1 1 160 160 LYS N N 160 115.648 115.648 117.994 -2.346 19522 1837 1 3 . 1 1 160 160 LYS C C 160 174.839 174.839 175.503 -0.664 19522 1838 1 3 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.663 -0.562 19522 1839 1 3 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.994 -2.506 19522 1840 1 3 . 1 1 160 160 LYS H H 160 7.541 7.541 7.479 0.062 19522 1841 1 3 . 1 1 161 161 GLU N N 161 113.911 113.911 118.619 -4.708 19522 1842 1 3 . 1 1 161 161 GLU C C 161 175.781 175.781 176.453 -0.672 19522 1843 1 3 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.163 -1.384 19522 1844 1 3 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.102 -3.048 19522 1845 1 3 . 1 1 161 161 GLU H H 161 7.842 7.842 7.967 -0.125 19522 1846 1 3 . 1 1 162 162 MET N N 162 118.882 118.882 117.079 1.803 19522 1847 1 3 . 1 1 162 162 MET C C 162 176.597 176.597 177.273 -0.676 19522 1848 1 3 . 1 1 162 162 MET CA C 162 52.646 52.646 57.166 -4.520 19522 1849 1 3 . 1 1 162 162 MET CB C 162 30.488 30.488 33.988 -3.500 19522 1850 1 3 . 1 1 162 162 MET H H 162 8.420 8.420 8.753 -0.333 19522 1851 1 3 . 1 1 163 163 GLN N N 163 119.366 119.366 117.866 1.500 19522 1852 1 3 . 1 1 163 163 GLN C C 163 177.397 177.397 176.897 0.500 19522 1853 1 3 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.572 0.604 19522 1854 1 3 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.177 -1.084 19522 1855 1 3 . 1 1 163 163 GLN H H 163 8.615 8.615 8.140 0.475 19522 1856 1 3 . 1 1 164 164 VAL N N 164 116.957 116.957 120.496 -3.539 19522 1857 1 3 . 1 1 164 164 VAL C C 164 175.459 175.459 177.547 -2.088 19522 1858 1 3 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.721 -2.869 19522 1859 1 3 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.392 -1.302 19522 1860 1 3 . 1 1 164 164 VAL H H 164 7.938 7.938 8.074 -0.136 19522 1861 1 3 . 1 1 165 165 LEU N N 165 117.124 117.124 119.049 -1.925 19522 1862 1 3 . 1 1 165 165 LEU C C 165 177.714 177.714 178.303 -0.589 19522 1863 1 3 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.068 -2.385 19522 1864 1 3 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.960 -2.282 19522 1865 1 3 . 1 1 165 165 LEU H H 165 7.741 7.741 7.679 0.062 19522 1866 1 3 . 1 1 166 166 VAL N N 166 119.434 119.434 118.389 1.045 19522 1867 1 3 . 1 1 166 166 VAL C C 166 176.817 176.817 178.086 -1.269 19522 1868 1 3 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.448 1.400 19522 1869 1 3 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.160 -1.790 19522 1870 1 3 . 1 1 166 166 VAL H H 166 7.342 7.342 7.875 -0.533 19522 1871 1 3 . 1 1 167 167 SER N N 167 110.775 110.775 115.728 -4.953 19522 1872 1 3 . 1 1 167 167 SER C C 167 176.737 176.737 175.964 0.773 19522 1873 1 3 . 1 1 167 167 SER CA C 167 60.215 60.215 61.466 -1.251 19522 1874 1 3 . 1 1 167 167 SER CB C 167 61.654 61.654 62.601 -0.947 19522 1875 1 3 . 1 1 167 167 SER H H 167 8.099 8.099 8.646 -0.547 19522 1876 1 3 . 1 1 168 168 ARG N N 168 122.916 122.916 119.681 3.235 19522 1877 1 3 . 1 1 168 168 ARG C C 168 175.439 175.439 177.507 -2.068 19522 1878 1 3 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.742 3.873 19522 1879 1 3 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.816 -2.805 19522 1880 1 3 . 1 1 168 168 ARG H H 168 6.596 6.596 7.416 -0.820 19522 1881 1 3 . 1 1 169 169 ILE N N 169 118.335 118.335 121.176 -2.841 19522 1882 1 3 . 1 1 169 169 ILE C C 169 177.779 177.779 177.700 0.079 19522 1883 1 3 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.758 -1.627 19522 1884 1 3 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.766 -0.805 19522 1885 1 3 . 1 1 169 169 ILE H H 169 7.928 7.928 7.958 -0.030 19522 1886 1 3 . 1 1 170 170 ALA N N 170 119.271 119.271 121.379 -2.108 19522 1887 1 3 . 1 1 170 170 ALA C C 170 179.195 179.195 179.112 0.083 19522 1888 1 3 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.667 -1.765 19522 1889 1 3 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.873 -1.049 19522 1890 1 3 . 1 1 170 170 ALA H H 170 7.672 7.672 8.062 -0.390 19522 1891 1 3 . 1 1 171 171 ALA N N 171 120.393 120.393 121.889 -1.496 19522 1892 1 3 . 1 1 171 171 ALA C C 171 180.833 180.833 179.718 1.115 19522 1893 1 3 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.589 -0.447 19522 1894 1 3 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.838 -1.335 19522 1895 1 3 . 1 1 171 171 ALA H H 171 7.258 7.258 7.649 -0.391 19522 1896 1 3 . 1 1 172 172 TRP N N 172 121.501 121.501 118.873 2.628 19522 1897 1 3 . 1 1 172 172 TRP C C 172 179.350 179.350 178.584 0.766 19522 1898 1 3 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.261 -2.241 19522 1899 1 3 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.695 -1.403 19522 1900 1 3 . 1 1 172 172 TRP H H 172 8.936 8.936 7.906 1.030 19522 1901 1 3 . 1 1 173 173 MET N N 173 117.211 117.211 119.318 -2.107 19522 1902 1 3 . 1 1 173 173 MET C C 173 176.158 176.158 178.371 -2.213 19522 1903 1 3 . 1 1 173 173 MET CA C 173 60.238 60.238 59.350 0.888 19522 1904 1 3 . 1 1 173 173 MET CB C 173 28.833 28.833 33.017 -4.184 19522 1905 1 3 . 1 1 173 173 MET H H 173 8.885 8.885 8.764 0.121 19522 1906 1 3 . 1 1 174 174 ALA N N 174 120.901 120.901 120.892 0.009 19522 1907 1 3 . 1 1 174 174 ALA C C 174 178.875 178.875 179.565 -0.690 19522 1908 1 3 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.547 -0.686 19522 1909 1 3 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.083 -1.396 19522 1910 1 3 . 1 1 174 174 ALA H H 174 8.206 8.206 8.332 -0.126 19522 1911 1 3 . 1 1 175 175 THR N N 175 116.591 116.591 117.239 -0.648 19522 1912 1 3 . 1 1 175 175 THR C C 175 174.782 174.782 176.698 -1.916 19522 1913 1 3 . 1 1 175 175 THR CA C 175 66.209 66.209 66.956 -0.747 19522 1914 1 3 . 1 1 175 175 THR CB C 175 68.046 68.046 68.677 -0.631 19522 1915 1 3 . 1 1 175 175 THR H H 175 8.530 8.530 7.995 0.535 19522 1916 1 3 . 1 1 176 176 TYR N N 176 123.375 123.375 123.144 0.231 19522 1917 1 3 . 1 1 176 176 TYR C C 176 179.255 179.255 177.160 2.095 19522 1918 1 3 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.439 1.934 19522 1919 1 3 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.721 -0.858 19522 1920 1 3 . 1 1 176 176 TYR H H 176 8.822 8.822 8.399 0.423 19522 1921 1 3 . 1 1 177 177 LEU N N 177 119.511 119.511 121.971 -2.460 19522 1922 1 3 . 1 1 177 177 LEU C C 177 177.979 177.979 178.389 -0.410 19522 1923 1 3 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.677 -0.220 19522 1924 1 3 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.850 -0.574 19522 1925 1 3 . 1 1 177 177 LEU H H 177 8.759 8.759 8.536 0.223 19522 1926 1 3 . 1 1 178 178 ASN N N 178 117.233 117.233 116.823 0.410 19522 1927 1 3 . 1 1 178 178 ASN C C 178 176.021 176.021 176.777 -0.756 19522 1928 1 3 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.101 -0.258 19522 1929 1 3 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.408 -0.305 19522 1930 1 3 . 1 1 178 178 ASN H H 178 8.333 8.333 7.876 0.457 19522 1931 1 3 . 1 1 179 179 ASP N N 179 115.264 115.264 118.550 -3.286 19522 1932 1 3 . 1 1 179 179 ASP C C 179 177.557 177.557 176.744 0.813 19522 1933 1 3 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.752 -0.852 19522 1934 1 3 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.563 -2.284 19522 1935 1 3 . 1 1 179 179 ASP H H 179 8.451 8.451 7.818 0.633 19522 1936 1 3 . 1 1 180 180 HIS N N 180 111.728 111.728 116.620 -4.892 19522 1937 1 3 . 1 1 180 180 HIS C C 180 175.479 175.479 176.791 -1.312 19522 1938 1 3 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.993 -1.572 19522 1939 1 3 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.202 -2.593 19522 1940 1 3 . 1 1 180 180 HIS H H 180 8.073 8.073 7.821 0.252 19522 1941 1 3 . 1 1 181 181 LEU N N 181 116.833 116.833 121.600 -4.767 19522 1942 1 3 . 1 1 181 181 LEU C C 181 176.160 176.160 178.605 -2.445 19522 1943 1 3 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.820 -3.799 19522 1944 1 3 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.891 -0.135 19522 1945 1 3 . 1 1 181 181 LEU H H 181 7.183 7.183 7.547 -0.364 19522 1946 1 3 . 1 1 182 182 GLU N N 182 121.364 121.364 118.281 3.083 19522 1947 1 3 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.660 -0.646 19522 1948 1 3 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.552 -1.596 19522 1949 1 3 . 1 1 182 182 GLU H H 182 8.596 8.596 8.812 -0.216 19522 1950 1 3 . 1 1 184 184 TRP N N 184 117.804 117.804 120.085 -2.281 19522 1951 1 3 . 1 1 184 184 TRP C C 184 179.217 179.217 177.997 1.220 19522 1952 1 3 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.324 6.348 19522 1953 1 3 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.032 -0.959 19522 1954 1 3 . 1 1 184 184 TRP H H 184 7.070 7.070 7.712 -0.642 19522 1955 1 3 . 1 1 185 185 ILE N N 185 121.825 121.825 119.816 2.009 19522 1956 1 3 . 1 1 185 185 ILE C C 185 178.655 178.655 178.527 0.128 19522 1957 1 3 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.234 0.038 19522 1958 1 3 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.869 -1.924 19522 1959 1 3 . 1 1 185 185 ILE H H 185 8.396 8.396 8.727 -0.331 19522 1960 1 3 . 1 1 186 186 GLN N N 186 116.489 116.489 116.162 0.327 19522 1961 1 3 . 1 1 186 186 GLN C C 186 179.035 179.035 176.697 2.338 19522 1962 1 3 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.331 0.487 19522 1963 1 3 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.058 -1.245 19522 1964 1 3 . 1 1 186 186 GLN H H 186 8.374 8.374 7.827 0.547 19522 1965 1 3 . 1 1 187 187 GLU N N 187 118.764 118.764 119.450 -0.686 19522 1966 1 3 . 1 1 187 187 GLU C C 187 176.458 176.458 177.536 -1.078 19522 1967 1 3 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.000 0.019 19522 1968 1 3 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.548 -2.137 19522 1969 1 3 . 1 1 187 187 GLU H H 187 7.515 7.515 7.563 -0.048 19522 1970 1 3 . 1 1 188 188 ASN N N 188 116.561 116.561 116.589 -0.028 19522 1971 1 3 . 1 1 188 188 ASN C C 188 173.620 173.620 174.690 -1.070 19522 1972 1 3 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.206 -0.343 19522 1973 1 3 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.874 -3.153 19522 1974 1 3 . 1 1 188 188 ASN H H 188 7.092 7.092 7.809 -0.717 19522 1975 1 3 . 1 1 189 189 GLY N N 189 104.897 104.897 105.762 -0.865 19522 1976 1 3 . 1 1 189 189 GLY C C 189 175.658 175.658 173.210 2.448 19522 1977 1 3 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.392 0.400 19522 1978 1 3 . 1 1 189 189 GLY H H 189 7.339 7.339 7.427 -0.088 19522 1979 1 3 . 1 1 190 190 GLY N N 190 108.292 108.292 110.070 -1.778 19522 1980 1 3 . 1 1 190 190 GLY C C 190 173.021 173.021 174.613 -1.592 19522 1981 1 3 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.246 -1.892 19522 1982 1 3 . 1 1 190 190 GLY H H 190 8.462 8.462 9.277 -0.815 19522 1983 1 3 . 1 1 191 191 TRP N N 191 118.031 118.031 121.409 -3.378 19522 1984 1 3 . 1 1 191 191 TRP C C 191 178.136 178.136 177.315 0.821 19522 1985 1 3 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.224 -0.808 19522 1986 1 3 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.964 -0.314 19522 1987 1 3 . 1 1 191 191 TRP H H 191 8.673 8.673 8.442 0.231 19522 1988 1 3 . 1 1 192 192 ASP N N 192 117.298 117.298 118.470 -1.172 19522 1989 1 3 . 1 1 192 192 ASP C C 192 179.058 179.058 177.783 1.275 19522 1990 1 3 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.352 0.507 19522 1991 1 3 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.607 -0.328 19522 1992 1 3 . 1 1 192 192 ASP H H 192 8.846 8.846 7.993 0.853 19522 1993 1 3 . 1 1 193 193 THR N N 193 116.061 116.061 115.828 0.233 19522 1994 1 3 . 1 1 193 193 THR C C 193 174.979 174.979 176.095 -1.116 19522 1995 1 3 . 1 1 193 193 THR CA C 193 65.649 65.649 64.855 0.795 19522 1996 1 3 . 1 1 193 193 THR CB C 193 67.327 67.327 68.164 -0.837 19522 1997 1 3 . 1 1 193 193 THR H H 193 7.431 7.431 7.362 0.069 19522 1998 1 3 . 1 1 194 194 PHE N N 194 121.789 121.789 122.693 -0.904 19522 1999 1 3 . 1 1 194 194 PHE C C 194 176.418 176.418 176.884 -0.466 19522 2000 1 3 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.002 0.012 19522 2001 1 3 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.311 -2.430 19522 2002 1 3 . 1 1 194 194 PHE H H 194 6.527 6.527 8.231 -1.704 19522 2003 1 3 . 1 1 195 195 VAL N N 195 116.988 116.988 118.100 -1.112 19522 2004 1 3 . 1 1 195 195 VAL C C 195 178.078 178.078 178.077 0.001 19522 2005 1 3 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.443 -0.691 19522 2006 1 3 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.518 -0.030 19522 2007 1 3 . 1 1 195 195 VAL H H 195 7.747 7.747 8.340 -0.593 19522 2008 1 3 . 1 1 196 196 GLU N N 196 120.171 120.171 119.129 1.042 19522 2009 1 3 . 1 1 196 196 GLU C C 196 177.976 177.976 178.187 -0.211 19522 2010 1 3 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.317 -0.997 19522 2011 1 3 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.197 -0.524 19522 2012 1 3 . 1 1 196 196 GLU H H 196 7.497 7.497 7.871 -0.374 19522 2013 1 3 . 1 1 197 197 LEU N N 197 117.210 117.210 114.135 3.075 19522 2014 1 3 . 1 1 197 197 LEU C C 197 178.376 178.376 177.660 0.716 19522 2015 1 3 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.684 0.216 19522 2016 1 3 . 1 1 197 197 LEU CB C 197 42.395 42.395 42.267 0.128 19522 2017 1 3 . 1 1 197 197 LEU H H 197 7.626 7.626 7.310 0.316 19522 2018 1 3 . 1 1 198 198 TYR N N 198 115.681 115.681 120.783 -5.102 19522 2019 1 3 . 1 1 198 198 TYR C C 198 176.577 176.577 176.630 -0.053 19522 2020 1 3 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.654 -1.276 19522 2021 1 3 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.311 -1.790 19522 2022 1 3 . 1 1 198 198 TYR H H 198 8.081 8.081 7.837 0.244 19522 2023 1 3 . 1 1 199 199 GLY N N 199 108.201 108.201 105.298 2.903 19522 2024 1 3 . 1 1 199 199 GLY C C 199 173.640 173.640 175.266 -1.626 19522 2025 1 3 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.229 -0.676 19522 2026 1 3 . 1 1 199 199 GLY H H 199 8.032 8.032 8.135 -0.103 19522 2027 1 3 . 1 1 200 200 ASN N N 200 118.385 118.385 119.089 -0.704 19522 2028 1 3 . 1 1 200 200 ASN C C 200 175.081 175.081 174.388 0.693 19522 2029 1 3 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.026 -0.242 19522 2030 1 3 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.267 -1.826 19522 2031 1 3 . 1 1 200 200 ASN H H 200 8.300 8.300 8.133 0.167 19522 2032 1 4 . 1 1 5 5 SER N N 5 116.171 116.171 119.763 -3.592 19522 2033 1 4 . 1 1 5 5 SER C C 5 174.320 174.320 174.419 -0.099 19522 2034 1 4 . 1 1 5 5 SER CA C 5 57.898 57.898 59.024 -1.126 19522 2035 1 4 . 1 1 5 5 SER CB C 5 62.533 62.533 63.725 -1.192 19522 2036 1 4 . 1 1 5 5 SER H H 5 8.224 8.224 8.647 -0.423 19522 2037 1 4 . 1 1 6 6 GLN N N 6 122.369 122.369 118.381 3.988 19522 2038 1 4 . 1 1 6 6 GLN C C 6 176.418 176.418 176.116 0.302 19522 2039 1 4 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.128 -0.228 19522 2040 1 4 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.853 0.957 19522 2041 1 4 . 1 1 6 6 GLN H H 6 8.337 8.337 8.456 -0.119 19522 2042 1 4 . 1 1 7 7 SER N N 7 116.584 116.584 114.778 1.806 19522 2043 1 4 . 1 1 7 7 SER C C 7 175.859 175.859 176.149 -0.290 19522 2044 1 4 . 1 1 7 7 SER CA C 7 56.260 56.260 60.751 -4.491 19522 2045 1 4 . 1 1 7 7 SER CB C 7 61.916 61.916 62.786 -0.870 19522 2046 1 4 . 1 1 7 7 SER H H 7 8.221 8.221 8.852 -0.631 19522 2047 1 4 . 1 1 8 8 ASN N N 8 119.373 119.373 120.671 -1.298 19522 2048 1 4 . 1 1 8 8 ASN C C 8 177.259 177.259 177.049 0.210 19522 2049 1 4 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.858 -2.651 19522 2050 1 4 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.404 -1.740 19522 2051 1 4 . 1 1 8 8 ASN H H 8 8.375 8.375 7.927 0.448 19522 2052 1 4 . 1 1 9 9 ARG N N 9 119.039 119.039 121.554 -2.515 19522 2053 1 4 . 1 1 9 9 ARG C C 9 176.977 176.977 178.483 -1.506 19522 2054 1 4 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.241 -1.235 19522 2055 1 4 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.225 1.085 19522 2056 1 4 . 1 1 9 9 ARG H H 9 7.815 7.815 8.686 -0.871 19522 2057 1 4 . 1 1 10 10 GLU N N 10 117.158 117.158 119.511 -2.353 19522 2058 1 4 . 1 1 10 10 GLU C C 10 179.475 179.475 178.863 0.612 19522 2059 1 4 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.466 -3.969 19522 2060 1 4 . 1 1 10 10 GLU CB C 10 28.993 28.993 28.782 0.211 19522 2061 1 4 . 1 1 10 10 GLU H H 10 7.949 7.949 8.422 -0.473 19522 2062 1 4 . 1 1 11 11 LEU N N 11 119.880 119.880 119.465 0.415 19522 2063 1 4 . 1 1 11 11 LEU C C 11 178.096 178.096 178.940 -0.844 19522 2064 1 4 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.550 -0.349 19522 2065 1 4 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.355 -1.437 19522 2066 1 4 . 1 1 11 11 LEU H H 11 7.807 7.807 7.785 0.022 19522 2067 1 4 . 1 1 12 12 VAL N N 12 117.702 117.702 120.069 -2.367 19522 2068 1 4 . 1 1 12 12 VAL C C 12 176.377 176.377 178.506 -2.129 19522 2069 1 4 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.305 -0.217 19522 2070 1 4 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.168 -0.199 19522 2071 1 4 . 1 1 12 12 VAL H H 12 7.690 7.690 8.170 -0.480 19522 2072 1 4 . 1 1 13 13 VAL N N 13 116.258 116.258 115.477 0.781 19522 2073 1 4 . 1 1 13 13 VAL C C 13 178.416 178.416 177.203 1.213 19522 2074 1 4 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.926 -0.014 19522 2075 1 4 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.724 -2.131 19522 2076 1 4 . 1 1 13 13 VAL H H 13 8.225 8.225 8.114 0.111 19522 2077 1 4 . 1 1 14 14 ASP N N 14 120.362 120.362 122.246 -1.884 19522 2078 1 4 . 1 1 14 14 ASP C C 14 177.040 177.040 177.884 -0.844 19522 2079 1 4 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.818 0.160 19522 2080 1 4 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.185 1.073 19522 2081 1 4 . 1 1 14 14 ASP H H 14 7.967 7.967 7.763 0.204 19522 2082 1 4 . 1 1 15 15 PHE N N 15 119.747 119.747 120.413 -0.666 19522 2083 1 4 . 1 1 15 15 PHE C C 15 177.876 177.876 177.364 0.512 19522 2084 1 4 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.380 1.095 19522 2085 1 4 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.314 -0.732 19522 2086 1 4 . 1 1 15 15 PHE H H 15 8.308 8.308 8.374 -0.066 19522 2087 1 4 . 1 1 16 16 LEU N N 16 116.203 116.203 119.983 -3.780 19522 2088 1 4 . 1 1 16 16 LEU C C 16 175.618 175.618 178.458 -2.840 19522 2089 1 4 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.381 -0.803 19522 2090 1 4 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.813 -1.473 19522 2091 1 4 . 1 1 16 16 LEU H H 16 8.718 8.718 8.126 0.592 19522 2092 1 4 . 1 1 17 17 SER N N 17 113.607 113.607 115.042 -1.435 19522 2093 1 4 . 1 1 17 17 SER C C 17 176.980 176.980 176.383 0.597 19522 2094 1 4 . 1 1 17 17 SER CA C 17 62.150 62.150 62.236 -0.086 19522 2095 1 4 . 1 1 17 17 SER CB C 17 60.854 60.854 62.891 -2.037 19522 2096 1 4 . 1 1 17 17 SER H H 17 8.338 8.338 8.188 0.150 19522 2097 1 4 . 1 1 18 18 TYR N N 18 124.591 124.591 122.647 1.944 19522 2098 1 4 . 1 1 18 18 TYR C C 18 177.996 177.996 177.028 0.968 19522 2099 1 4 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.829 -1.550 19522 2100 1 4 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.398 -2.053 19522 2101 1 4 . 1 1 18 18 TYR H H 18 8.228 8.228 8.048 0.180 19522 2102 1 4 . 1 1 19 19 LYS N N 19 119.761 119.761 118.657 1.104 19522 2103 1 4 . 1 1 19 19 LYS C C 19 179.841 179.841 178.447 1.394 19522 2104 1 4 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.565 -1.482 19522 2105 1 4 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.260 -3.610 19522 2106 1 4 . 1 1 19 19 LYS H H 19 8.230 8.230 7.425 0.805 19522 2107 1 4 . 1 1 20 20 LEU N N 20 118.077 118.077 118.994 -0.917 19522 2108 1 4 . 1 1 20 20 LEU C C 20 179.654 179.654 176.723 2.931 19522 2109 1 4 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.629 1.349 19522 2110 1 4 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.948 -2.510 19522 2111 1 4 . 1 1 20 20 LEU H H 20 8.534 8.534 7.890 0.644 19522 2112 1 4 . 1 1 21 21 SER N N 21 117.073 117.073 111.758 5.315 19522 2113 1 4 . 1 1 21 21 SER C C 21 178.204 178.204 174.001 4.203 19522 2114 1 4 . 1 1 21 21 SER CA C 21 60.375 60.375 58.381 1.994 19522 2115 1 4 . 1 1 21 21 SER CB C 21 61.836 61.836 62.463 -0.627 19522 2116 1 4 . 1 1 21 21 SER H H 21 8.239 8.239 7.314 0.925 19522 2117 1 4 . 1 1 22 22 GLN N N 22 122.767 122.767 121.490 1.277 19522 2118 1 4 . 1 1 22 22 GLN C C 22 176.997 176.997 175.889 1.108 19522 2119 1 4 . 1 1 22 22 GLN CA C 22 57.578 57.578 56.851 0.727 19522 2120 1 4 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.571 -2.439 19522 2121 1 4 . 1 1 22 22 GLN H H 22 7.632 7.632 7.540 0.092 19522 2122 1 4 . 1 1 23 23 LYS N N 23 116.016 116.016 117.751 -1.735 19522 2123 1 4 . 1 1 23 23 LYS C C 23 175.419 175.419 174.773 0.646 19522 2124 1 4 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.251 -3.308 19522 2125 1 4 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.535 -3.487 19522 2126 1 4 . 1 1 23 23 LYS H H 23 7.167 7.167 8.246 -1.079 19522 2127 1 4 . 1 1 24 24 GLY N N 24 105.329 105.329 111.760 -6.431 19522 2128 1 4 . 1 1 24 24 GLY C C 24 173.680 173.680 172.752 0.928 19522 2129 1 4 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.083 -0.770 19522 2130 1 4 . 1 1 24 24 GLY H H 24 7.504 7.504 8.320 -0.816 19522 2131 1 4 . 1 1 25 25 TYR N N 25 119.528 119.528 114.132 5.396 19522 2132 1 4 . 1 1 25 25 TYR C C 25 174.779 174.779 174.268 0.511 19522 2133 1 4 . 1 1 25 25 TYR CA C 25 57.761 57.761 54.403 3.358 19522 2134 1 4 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.408 0.893 19522 2135 1 4 . 1 1 25 25 TYR H H 25 7.817 7.817 6.930 0.887 19522 2136 1 4 . 1 1 26 26 SER N N 26 115.815 115.815 121.825 -6.010 19522 2137 1 4 . 1 1 26 26 SER C C 26 173.860 173.860 176.043 -2.183 19522 2138 1 4 . 1 1 26 26 SER CA C 26 56.083 56.083 57.277 -1.194 19522 2139 1 4 . 1 1 26 26 SER CB C 26 63.275 63.275 63.802 -0.527 19522 2140 1 4 . 1 1 26 26 SER H H 26 8.475 8.475 8.091 0.384 19522 2141 1 4 . 1 1 27 27 TRP N N 27 126.476 126.476 121.951 4.525 19522 2142 1 4 . 1 1 27 27 TRP C C 27 174.141 174.141 177.155 -3.014 19522 2143 1 4 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.371 0.029 19522 2144 1 4 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.183 0.027 19522 2145 1 4 . 1 1 27 27 TRP H H 27 8.720 8.720 7.924 0.796 19522 2146 1 4 . 1 1 28 28 SER N N 28 114.011 114.011 113.728 0.283 19522 2147 1 4 . 1 1 28 28 SER C C 28 172.859 172.859 175.328 -2.469 19522 2148 1 4 . 1 1 28 28 SER CA C 28 66.186 66.186 60.020 6.166 19522 2149 1 4 . 1 1 28 28 SER CB C 28 61.996 61.996 62.356 -0.360 19522 2150 1 4 . 1 1 28 28 SER H H 28 8.034 8.034 7.685 0.349 19522 2151 1 4 . 1 1 29 29 GLN N N 29 120.138 120.138 120.247 -0.109 19522 2152 1 4 . 1 1 29 29 GLN C C 29 177.250 177.250 176.738 0.512 19522 2153 1 4 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.678 -2.508 19522 2154 1 4 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.303 -0.964 19522 2155 1 4 . 1 1 29 29 GLN H H 29 7.323 7.323 7.519 -0.196 19522 2156 1 4 . 1 1 30 30 PHE N N 30 113.775 113.775 118.577 -4.802 19522 2157 1 4 . 1 1 30 30 PHE C C 30 176.814 176.814 176.478 0.336 19522 2158 1 4 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.764 -3.601 19522 2159 1 4 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.822 -1.982 19522 2160 1 4 . 1 1 30 30 PHE H H 30 6.778 6.778 7.700 -0.922 19522 2161 1 4 . 1 1 87 87 ALA N N 87 124.732 124.732 125.398 -0.666 19522 2162 1 4 . 1 1 87 87 ALA C C 87 175.941 175.941 176.990 -1.049 19522 2163 1 4 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.309 -2.459 19522 2164 1 4 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.337 -1.771 19522 2165 1 4 . 1 1 87 87 ALA H H 87 8.079 8.079 8.949 -0.870 19522 2166 1 4 . 1 1 88 88 ALA N N 88 121.664 121.664 120.317 1.347 19522 2167 1 4 . 1 1 88 88 ALA C C 88 177.523 177.523 177.775 -0.252 19522 2168 1 4 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.308 3.843 19522 2169 1 4 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.062 0.401 19522 2170 1 4 . 1 1 88 88 ALA H H 88 7.951 7.951 7.667 0.284 19522 2171 1 4 . 1 1 89 89 VAL N N 89 119.415 119.415 118.898 0.517 19522 2172 1 4 . 1 1 89 89 VAL C C 89 176.857 176.857 176.700 0.157 19522 2173 1 4 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.213 -4.377 19522 2174 1 4 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.468 -0.397 19522 2175 1 4 . 1 1 89 89 VAL H H 89 8.161 8.161 8.270 -0.109 19522 2176 1 4 . 1 1 90 90 LYS N N 90 121.221 121.221 118.701 2.520 19522 2177 1 4 . 1 1 90 90 LYS C C 90 175.559 175.559 178.561 -3.002 19522 2178 1 4 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.721 -3.638 19522 2179 1 4 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.991 -3.078 19522 2180 1 4 . 1 1 90 90 LYS H H 90 8.529 8.529 8.295 0.234 19522 2181 1 4 . 1 1 91 91 GLN N N 91 115.879 115.879 118.584 -2.705 19522 2182 1 4 . 1 1 91 91 GLN C C 91 176.950 176.950 178.004 -1.054 19522 2183 1 4 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.061 -0.140 19522 2184 1 4 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.275 -1.040 19522 2185 1 4 . 1 1 91 91 GLN H H 91 7.973 7.973 7.472 0.501 19522 2186 1 4 . 1 1 92 92 ALA N N 92 119.538 119.538 124.022 -4.484 19522 2187 1 4 . 1 1 92 92 ALA C C 92 179.537 179.537 179.914 -0.377 19522 2188 1 4 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.563 -1.318 19522 2189 1 4 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.467 -1.700 19522 2190 1 4 . 1 1 92 92 ALA H H 92 7.661 7.661 8.588 -0.927 19522 2191 1 4 . 1 1 93 93 LEU N N 93 120.236 120.236 118.199 2.037 19522 2192 1 4 . 1 1 93 93 LEU C C 93 179.075 179.075 179.085 -0.010 19522 2193 1 4 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.313 0.474 19522 2194 1 4 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.416 0.141 19522 2195 1 4 . 1 1 93 93 LEU H H 93 8.544 8.544 8.292 0.252 19522 2196 1 4 . 1 1 94 94 ARG N N 94 118.361 118.361 120.501 -2.140 19522 2197 1 4 . 1 1 94 94 ARG C C 94 178.396 178.396 178.670 -0.274 19522 2198 1 4 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.602 0.134 19522 2199 1 4 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.663 -1.573 19522 2200 1 4 . 1 1 94 94 ARG H H 94 8.057 8.057 7.492 0.565 19522 2201 1 4 . 1 1 95 95 GLU N N 95 115.851 115.851 118.872 -3.021 19522 2202 1 4 . 1 1 95 95 GLU C C 95 179.794 179.794 179.137 0.657 19522 2203 1 4 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.540 -1.323 19522 2204 1 4 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.493 -1.402 19522 2205 1 4 . 1 1 95 95 GLU H H 95 7.737 7.737 8.415 -0.678 19522 2206 1 4 . 1 1 96 96 ALA N N 96 122.958 122.958 121.193 1.765 19522 2207 1 4 . 1 1 96 96 ALA C C 96 181.313 181.313 179.911 1.402 19522 2208 1 4 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.679 -0.377 19522 2209 1 4 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.621 -0.918 19522 2210 1 4 . 1 1 96 96 ALA H H 96 8.824 8.824 7.729 1.095 19522 2211 1 4 . 1 1 97 97 GLY N N 97 108.363 108.363 107.519 0.844 19522 2212 1 4 . 1 1 97 97 GLY C C 97 178.177 178.177 176.221 1.956 19522 2213 1 4 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.378 -1.387 19522 2214 1 4 . 1 1 97 97 GLY H H 97 9.088 9.088 8.435 0.653 19522 2215 1 4 . 1 1 98 98 ASP N N 98 122.197 122.197 121.783 0.414 19522 2216 1 4 . 1 1 98 98 ASP C C 98 178.715 178.715 178.246 0.469 19522 2217 1 4 . 1 1 98 98 ASP CA C 98 57.019 57.019 58.119 -1.100 19522 2218 1 4 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.205 -2.726 19522 2219 1 4 . 1 1 98 98 ASP H H 98 8.102 8.102 8.518 -0.416 19522 2220 1 4 . 1 1 99 99 GLU N N 99 120.103 120.103 119.228 0.875 19522 2221 1 4 . 1 1 99 99 GLU C C 99 179.513 179.513 179.227 0.286 19522 2222 1 4 . 1 1 99 99 GLU CA C 99 53.752 53.752 58.990 -5.238 19522 2223 1 4 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.595 -1.104 19522 2224 1 4 . 1 1 99 99 GLU H H 99 8.115 8.115 7.932 0.183 19522 2225 1 4 . 1 1 100 100 PHE N N 100 120.218 120.218 118.885 1.333 19522 2226 1 4 . 1 1 100 100 PHE C C 100 178.618 178.618 177.695 0.923 19522 2227 1 4 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.282 -3.822 19522 2228 1 4 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.514 0.822 19522 2229 1 4 . 1 1 100 100 PHE H H 100 8.535 8.535 8.106 0.429 19522 2230 1 4 . 1 1 101 101 GLU N N 101 117.531 117.531 121.456 -3.925 19522 2231 1 4 . 1 1 101 101 GLU C C 101 177.339 177.339 179.036 -1.697 19522 2232 1 4 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.218 -2.618 19522 2233 1 4 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.815 -1.222 19522 2234 1 4 . 1 1 101 101 GLU H H 101 8.032 8.032 8.305 -0.273 19522 2235 1 4 . 1 1 102 102 LEU N N 102 116.641 116.641 115.671 0.970 19522 2236 1 4 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.871 -1.283 19522 2237 1 4 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.602 -0.829 19522 2238 1 4 . 1 1 102 102 LEU H H 102 7.369 7.369 7.801 -0.432 19522 2239 1 4 . 1 1 103 103 ARG N N 103 115.854 115.854 118.965 -3.111 19522 2240 1 4 . 1 1 103 103 ARG C C 103 177.605 177.605 178.004 -0.399 19522 2241 1 4 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.468 0.519 19522 2242 1 4 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.127 0.023 19522 2243 1 4 . 1 1 103 103 ARG H H 103 7.472 7.472 7.545 -0.073 19522 2244 1 4 . 1 1 104 104 TYR N N 104 119.078 119.078 119.294 -0.216 19522 2245 1 4 . 1 1 104 104 TYR C C 104 174.962 174.962 177.354 -2.392 19522 2246 1 4 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.080 -0.238 19522 2247 1 4 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.803 -2.175 19522 2248 1 4 . 1 1 104 104 TYR H H 104 7.904 7.904 8.063 -0.159 19522 2249 1 4 . 1 1 105 105 ARG N N 105 119.378 119.378 118.800 0.578 19522 2250 1 4 . 1 1 105 105 ARG C C 105 178.395 178.395 177.036 1.359 19522 2251 1 4 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.791 1.130 19522 2252 1 4 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.066 -1.272 19522 2253 1 4 . 1 1 105 105 ARG H H 105 7.195 7.195 8.423 -1.228 19522 2254 1 4 . 1 1 106 106 ARG N N 106 118.875 118.875 119.873 -0.998 19522 2255 1 4 . 1 1 106 106 ARG C C 106 177.257 177.257 176.177 1.080 19522 2256 1 4 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.630 1.285 19522 2257 1 4 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.141 -2.587 19522 2258 1 4 . 1 1 106 106 ARG H H 106 8.452 8.452 7.791 0.661 19522 2259 1 4 . 1 1 107 107 ALA N N 107 121.864 121.864 120.942 0.922 19522 2260 1 4 . 1 1 107 107 ALA C C 107 175.701 175.701 176.413 -0.712 19522 2261 1 4 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.719 0.925 19522 2262 1 4 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.016 0.047 19522 2263 1 4 . 1 1 107 107 ALA H H 107 7.839 7.839 7.804 0.035 19522 2264 1 4 . 1 1 108 108 PHE N N 108 121.984 121.984 116.645 5.339 19522 2265 1 4 . 1 1 108 108 PHE C C 108 174.982 174.982 174.946 0.036 19522 2266 1 4 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.642 0.400 19522 2267 1 4 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.039 0.799 19522 2268 1 4 . 1 1 108 108 PHE H H 108 8.392 8.392 8.125 0.267 19522 2269 1 4 . 1 1 109 109 SER N N 109 114.585 114.585 117.737 -3.152 19522 2270 1 4 . 1 1 109 109 SER C C 109 175.421 175.421 174.760 0.661 19522 2271 1 4 . 1 1 109 109 SER CA C 109 55.044 55.044 57.285 -2.241 19522 2272 1 4 . 1 1 109 109 SER CB C 109 63.241 63.241 65.171 -1.930 19522 2273 1 4 . 1 1 109 109 SER H H 109 7.810 7.810 7.747 0.063 19522 2274 1 4 . 1 1 110 110 ASP N N 110 119.725 119.725 122.948 -3.223 19522 2275 1 4 . 1 1 110 110 ASP C C 110 178.196 178.196 178.386 -0.190 19522 2276 1 4 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.460 -1.480 19522 2277 1 4 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.699 -2.859 19522 2278 1 4 . 1 1 110 110 ASP H H 110 8.380 8.380 8.750 -0.370 19522 2279 1 4 . 1 1 111 111 LEU N N 111 120.827 120.827 120.428 0.399 19522 2280 1 4 . 1 1 111 111 LEU C C 111 178.804 178.804 178.728 0.076 19522 2281 1 4 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.342 -1.243 19522 2282 1 4 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.924 -1.127 19522 2283 1 4 . 1 1 111 111 LEU H H 111 7.783 7.783 8.600 -0.817 19522 2284 1 4 . 1 1 112 112 THR N N 112 109.101 109.101 112.947 -3.846 19522 2285 1 4 . 1 1 112 112 THR C C 112 177.157 177.157 177.554 -0.397 19522 2286 1 4 . 1 1 112 112 THR CA C 112 64.690 64.690 66.037 -1.347 19522 2287 1 4 . 1 1 112 112 THR CB C 112 67.407 67.407 68.395 -0.988 19522 2288 1 4 . 1 1 112 112 THR H H 112 8.331 8.331 8.056 0.275 19522 2289 1 4 . 1 1 113 113 SER N N 113 115.811 115.811 117.976 -2.165 19522 2290 1 4 . 1 1 113 113 SER C C 113 175.319 175.319 176.012 -0.693 19522 2291 1 4 . 1 1 113 113 SER CA C 113 59.736 59.736 60.915 -1.179 19522 2292 1 4 . 1 1 113 113 SER CB C 113 62.213 62.213 62.987 -0.774 19522 2293 1 4 . 1 1 113 113 SER H H 113 7.645 7.645 7.761 -0.116 19522 2294 1 4 . 1 1 114 114 GLN N N 114 118.421 118.421 122.212 -3.791 19522 2295 1 4 . 1 1 114 114 GLN C C 114 175.978 175.978 177.409 -1.431 19522 2296 1 4 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.226 -1.767 19522 2297 1 4 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.529 -0.518 19522 2298 1 4 . 1 1 114 114 GLN H H 114 7.614 7.614 8.192 -0.578 19522 2299 1 4 . 1 1 115 115 LEU N N 115 118.236 118.236 117.578 0.658 19522 2300 1 4 . 1 1 115 115 LEU C C 115 176.198 176.198 177.205 -1.007 19522 2301 1 4 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.667 -0.863 19522 2302 1 4 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.866 -0.311 19522 2303 1 4 . 1 1 115 115 LEU H H 115 7.383 7.383 8.072 -0.689 19522 2304 1 4 . 1 1 116 116 HIS N N 116 119.694 119.694 117.205 2.489 19522 2305 1 4 . 1 1 116 116 HIS C C 116 174.122 174.122 174.274 -0.152 19522 2306 1 4 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.733 -0.354 19522 2307 1 4 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.176 -0.925 19522 2308 1 4 . 1 1 116 116 HIS H H 116 8.158 8.158 7.835 0.323 19522 2309 1 4 . 1 1 117 117 ILE N N 117 122.347 122.347 114.493 7.854 19522 2310 1 4 . 1 1 117 117 ILE C C 117 176.377 176.377 175.499 0.878 19522 2311 1 4 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.932 -1.215 19522 2312 1 4 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.713 1.511 19522 2313 1 4 . 1 1 117 117 ILE H H 117 8.658 8.658 8.201 0.457 19522 2314 1 4 . 1 1 118 118 THR N N 118 115.798 115.798 118.233 -2.435 19522 2315 1 4 . 1 1 118 118 THR CA C 118 57.921 57.921 59.918 -1.997 19522 2316 1 4 . 1 1 118 118 THR CB C 118 63.434 63.434 68.616 -5.182 19522 2317 1 4 . 1 1 118 118 THR H H 118 8.227 8.227 8.121 0.106 19522 2318 1 4 . 1 1 120 120 GLY N N 120 109.574 109.574 107.831 1.743 19522 2319 1 4 . 1 1 120 120 GLY C C 120 180.495 180.495 173.642 6.853 19522 2320 1 4 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.624 -1.231 19522 2321 1 4 . 1 1 120 120 GLY H H 120 8.429 8.429 7.989 0.440 19522 2322 1 4 . 1 1 121 121 THR N N 121 113.419 113.419 116.266 -2.847 19522 2323 1 4 . 1 1 121 121 THR C C 121 178.096 178.096 173.788 4.308 19522 2324 1 4 . 1 1 121 121 THR CA C 121 62.041 62.041 62.004 0.037 19522 2325 1 4 . 1 1 121 121 THR CB C 121 63.994 63.994 66.615 -2.621 19522 2326 1 4 . 1 1 121 121 THR H H 121 7.774 7.774 8.073 -0.299 19522 2327 1 4 . 1 1 122 122 ALA N N 122 121.876 121.876 125.003 -3.127 19522 2328 1 4 . 1 1 122 122 ALA C C 122 177.397 177.397 176.892 0.505 19522 2329 1 4 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.786 -1.162 19522 2330 1 4 . 1 1 122 122 ALA CB C 122 18.525 18.525 21.045 -2.520 19522 2331 1 4 . 1 1 122 122 ALA H H 122 7.944 7.944 8.449 -0.505 19522 2332 1 4 . 1 1 123 123 TYR N N 123 120.931 120.931 115.890 5.041 19522 2333 1 4 . 1 1 123 123 TYR C C 123 176.060 176.060 177.189 -1.129 19522 2334 1 4 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.855 1.200 19522 2335 1 4 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.408 -1.926 19522 2336 1 4 . 1 1 123 123 TYR H H 123 8.748 8.748 7.802 0.946 19522 2337 1 4 . 1 1 124 124 GLN N N 124 115.002 115.002 121.479 -6.477 19522 2338 1 4 . 1 1 124 124 GLN C C 124 178.098 178.098 178.319 -0.221 19522 2339 1 4 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.137 -0.497 19522 2340 1 4 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.459 -1.942 19522 2341 1 4 . 1 1 124 124 GLN H H 124 8.454 8.454 7.320 1.134 19522 2342 1 4 . 1 1 125 125 SER N N 125 114.135 114.135 115.675 -1.540 19522 2343 1 4 . 1 1 125 125 SER C C 125 179.557 179.557 176.188 3.369 19522 2344 1 4 . 1 1 125 125 SER CA C 125 61.357 61.357 61.514 -0.157 19522 2345 1 4 . 1 1 125 125 SER CB C 125 61.357 61.357 62.712 -1.355 19522 2346 1 4 . 1 1 125 125 SER H H 125 7.283 7.283 7.603 -0.320 19522 2347 1 4 . 1 1 126 126 PHE N N 126 113.327 113.327 123.611 -10.284 19522 2348 1 4 . 1 1 126 126 PHE C C 126 174.879 174.879 176.796 -1.917 19522 2349 1 4 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.556 0.561 19522 2350 1 4 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.107 -1.404 19522 2351 1 4 . 1 1 126 126 PHE H H 126 6.606 6.606 8.002 -1.396 19522 2352 1 4 . 1 1 127 127 GLU N N 127 119.398 119.398 119.303 0.095 19522 2353 1 4 . 1 1 127 127 GLU C C 127 176.857 176.857 178.529 -1.672 19522 2354 1 4 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.601 -1.543 19522 2355 1 4 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.446 -0.556 19522 2356 1 4 . 1 1 127 127 GLU H H 127 8.546 8.546 7.981 0.565 19522 2357 1 4 . 1 1 128 128 GLN N N 128 114.754 114.754 119.052 -4.298 19522 2358 1 4 . 1 1 128 128 GLN C C 128 178.356 178.356 178.564 -0.208 19522 2359 1 4 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.646 -0.566 19522 2360 1 4 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.450 -1.455 19522 2361 1 4 . 1 1 128 128 GLN H H 128 7.525 7.525 8.118 -0.593 19522 2362 1 4 . 1 1 129 129 VAL N N 129 118.194 118.194 119.306 -1.112 19522 2363 1 4 . 1 1 129 129 VAL C C 129 177.756 177.756 178.728 -0.972 19522 2364 1 4 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.225 -1.135 19522 2365 1 4 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.317 -1.068 19522 2366 1 4 . 1 1 129 129 VAL H H 129 7.036 7.036 7.763 -0.727 19522 2367 1 4 . 1 1 130 130 VAL N N 130 119.459 119.459 120.012 -0.553 19522 2368 1 4 . 1 1 130 130 VAL C C 130 177.714 177.714 177.482 0.232 19522 2369 1 4 . 1 1 130 130 VAL CA C 130 65.409 65.409 65.966 -0.557 19522 2370 1 4 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.223 -0.751 19522 2371 1 4 . 1 1 130 130 VAL H H 130 7.831 7.831 8.256 -0.425 19522 2372 1 4 . 1 1 131 131 ASN N N 131 117.212 117.212 116.996 0.216 19522 2373 1 4 . 1 1 131 131 ASN C C 131 178.775 178.775 177.223 1.552 19522 2374 1 4 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.330 -1.686 19522 2375 1 4 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.591 -2.326 19522 2376 1 4 . 1 1 131 131 ASN H H 131 8.374 8.374 8.370 0.004 19522 2377 1 4 . 1 1 132 132 GLU N N 132 118.393 118.393 119.662 -1.269 19522 2378 1 4 . 1 1 132 132 GLU C C 132 179.097 179.097 179.296 -0.199 19522 2379 1 4 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.785 -0.806 19522 2380 1 4 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.378 -2.006 19522 2381 1 4 . 1 1 132 132 GLU H H 132 7.226 7.226 7.534 -0.308 19522 2382 1 4 . 1 1 133 133 LEU N N 133 120.835 120.835 120.559 0.276 19522 2383 1 4 . 1 1 133 133 LEU C C 133 178.016 178.016 177.651 0.365 19522 2384 1 4 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.406 -0.604 19522 2385 1 4 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.601 -1.820 19522 2386 1 4 . 1 1 133 133 LEU H H 133 7.467 7.467 7.381 0.086 19522 2387 1 4 . 1 1 134 134 PHE N N 134 112.847 112.847 116.358 -3.511 19522 2388 1 4 . 1 1 134 134 PHE C C 134 176.258 176.258 176.543 -0.285 19522 2389 1 4 . 1 1 134 134 PHE CA C 134 56.539 56.539 58.619 -2.080 19522 2390 1 4 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.282 -0.419 19522 2391 1 4 . 1 1 134 134 PHE H H 134 6.926 6.926 7.111 -0.185 19522 2392 1 4 . 1 1 135 135 ARG N N 135 123.664 123.664 118.347 5.317 19522 2393 1 4 . 1 1 135 135 ARG C C 135 176.957 176.957 175.904 1.053 19522 2394 1 4 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.286 1.651 19522 2395 1 4 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.521 -2.510 19522 2396 1 4 . 1 1 135 135 ARG H H 135 7.144 7.144 7.630 -0.486 19522 2397 1 4 . 1 1 136 136 ASP N N 136 116.448 116.448 116.255 0.193 19522 2398 1 4 . 1 1 136 136 ASP C C 136 175.339 175.339 176.684 -1.345 19522 2399 1 4 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.346 -1.002 19522 2400 1 4 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.427 -4.829 19522 2401 1 4 . 1 1 136 136 ASP H H 136 8.607 8.607 7.519 1.088 19522 2402 1 4 . 1 1 137 137 GLY N N 137 108.506 108.506 109.325 -0.819 19522 2403 1 4 . 1 1 137 137 GLY C C 137 172.324 172.324 173.700 -1.376 19522 2404 1 4 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.729 -1.934 19522 2405 1 4 . 1 1 137 137 GLY H H 137 7.468 7.468 8.268 -0.800 19522 2406 1 4 . 1 1 138 138 VAL N N 138 120.519 120.519 124.167 -3.648 19522 2407 1 4 . 1 1 138 138 VAL C C 138 174.160 174.160 174.871 -0.711 19522 2408 1 4 . 1 1 138 138 VAL CA C 138 61.893 61.893 62.072 -0.179 19522 2409 1 4 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.741 1.067 19522 2410 1 4 . 1 1 138 138 VAL H H 138 8.181 8.181 8.419 -0.238 19522 2411 1 4 . 1 1 139 139 ASN N N 139 115.573 115.573 123.743 -8.170 19522 2412 1 4 . 1 1 139 139 ASN C C 139 174.959 174.959 175.415 -0.456 19522 2413 1 4 . 1 1 139 139 ASN CA C 139 51.025 51.025 52.034 -1.009 19522 2414 1 4 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.863 -2.224 19522 2415 1 4 . 1 1 139 139 ASN H H 139 6.261 6.261 7.645 -1.384 19522 2416 1 4 . 1 1 140 140 TRP N N 140 118.231 118.231 126.244 -8.013 19522 2417 1 4 . 1 1 140 140 TRP C C 140 177.976 177.976 177.617 0.359 19522 2418 1 4 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.141 0.994 19522 2419 1 4 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.141 -0.532 19522 2420 1 4 . 1 1 140 140 TRP H H 140 8.413 8.413 8.709 -0.296 19522 2421 1 4 . 1 1 141 141 GLY N N 141 106.238 106.238 106.043 0.195 19522 2422 1 4 . 1 1 141 141 GLY C C 141 177.297 177.297 175.733 1.564 19522 2423 1 4 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.277 0.194 19522 2424 1 4 . 1 1 141 141 GLY H H 141 8.494 8.494 8.889 -0.395 19522 2425 1 4 . 1 1 142 142 ARG N N 142 121.156 121.156 121.899 -0.743 19522 2426 1 4 . 1 1 142 142 ARG C C 142 177.457 177.457 178.001 -0.544 19522 2427 1 4 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.296 0.202 19522 2428 1 4 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.252 -0.643 19522 2429 1 4 . 1 1 142 142 ARG H H 142 8.104 8.104 7.401 0.703 19522 2430 1 4 . 1 1 143 143 ILE N N 143 120.888 120.888 120.606 0.282 19522 2431 1 4 . 1 1 143 143 ILE C C 143 177.756 177.756 177.331 0.425 19522 2432 1 4 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.283 1.606 19522 2433 1 4 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.954 -2.351 19522 2434 1 4 . 1 1 143 143 ILE H H 143 7.696 7.696 7.874 -0.178 19522 2435 1 4 . 1 1 144 144 VAL N N 144 120.958 120.958 119.138 1.820 19522 2436 1 4 . 1 1 144 144 VAL C C 144 177.557 177.557 177.603 -0.046 19522 2437 1 4 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.744 0.344 19522 2438 1 4 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.017 0.072 19522 2439 1 4 . 1 1 144 144 VAL H H 144 8.229 8.229 7.480 0.749 19522 2440 1 4 . 1 1 145 145 ALA N N 145 121.229 121.229 122.715 -1.486 19522 2441 1 4 . 1 1 145 145 ALA C C 145 177.999 177.999 178.951 -0.952 19522 2442 1 4 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.933 -0.871 19522 2443 1 4 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.150 -1.167 19522 2444 1 4 . 1 1 145 145 ALA H H 145 7.579 7.579 7.543 0.036 19522 2445 1 4 . 1 1 146 146 PHE N N 146 119.338 119.338 120.028 -0.690 19522 2446 1 4 . 1 1 146 146 PHE C C 146 179.432 179.432 177.096 2.336 19522 2447 1 4 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.863 -0.694 19522 2448 1 4 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.093 -1.230 19522 2449 1 4 . 1 1 146 146 PHE H H 146 7.985 7.985 8.189 -0.204 19522 2450 1 4 . 1 1 147 147 PHE N N 147 119.900 119.900 117.761 2.139 19522 2451 1 4 . 1 1 147 147 PHE C C 147 177.399 177.399 177.718 -0.319 19522 2452 1 4 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.386 -3.267 19522 2453 1 4 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.455 0.983 19522 2454 1 4 . 1 1 147 147 PHE H H 147 7.824 7.824 8.613 -0.789 19522 2455 1 4 . 1 1 148 148 SER N N 148 114.725 114.725 116.559 -1.834 19522 2456 1 4 . 1 1 148 148 SER C C 148 177.357 177.357 176.308 1.049 19522 2457 1 4 . 1 1 148 148 SER CA C 148 63.115 63.115 62.307 0.808 19522 2458 1 4 . 1 1 148 148 SER CB C 148 61.893 61.893 62.483 -0.590 19522 2459 1 4 . 1 1 148 148 SER H H 148 8.423 8.423 7.997 0.426 19522 2460 1 4 . 1 1 149 149 PHE N N 149 124.361 124.361 121.347 3.014 19522 2461 1 4 . 1 1 149 149 PHE C C 149 176.338 176.338 178.097 -1.759 19522 2462 1 4 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.016 -1.680 19522 2463 1 4 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.238 -0.957 19522 2464 1 4 . 1 1 149 149 PHE H H 149 9.097 9.097 8.281 0.816 19522 2465 1 4 . 1 1 150 150 GLY N N 150 105.935 105.935 106.030 -0.095 19522 2466 1 4 . 1 1 150 150 GLY C C 150 176.398 176.398 176.198 0.200 19522 2467 1 4 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.736 0.294 19522 2468 1 4 . 1 1 150 150 GLY H H 150 7.937 7.937 7.990 -0.053 19522 2469 1 4 . 1 1 151 151 GLY N N 151 107.449 107.449 110.177 -2.728 19522 2470 1 4 . 1 1 151 151 GLY C C 151 174.300 174.300 176.012 -1.712 19522 2471 1 4 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.716 0.234 19522 2472 1 4 . 1 1 151 151 GLY H H 151 8.803 8.803 8.430 0.373 19522 2473 1 4 . 1 1 152 152 ALA N N 152 124.384 124.384 125.111 -0.727 19522 2474 1 4 . 1 1 152 152 ALA C C 152 177.636 177.636 179.305 -1.669 19522 2475 1 4 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.709 -0.568 19522 2476 1 4 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.404 -1.341 19522 2477 1 4 . 1 1 152 152 ALA H H 152 8.232 8.232 8.223 0.009 19522 2478 1 4 . 1 1 153 153 LEU N N 153 118.871 118.871 120.003 -1.132 19522 2479 1 4 . 1 1 153 153 LEU C C 153 179.937 179.937 178.690 1.247 19522 2480 1 4 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.667 -1.079 19522 2481 1 4 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.742 -1.082 19522 2482 1 4 . 1 1 153 153 LEU H H 153 8.159 8.159 7.926 0.233 19522 2483 1 4 . 1 1 154 154 CYS N N 154 118.554 118.554 118.997 -0.443 19522 2484 1 4 . 1 1 154 154 CYS C C 154 177.332 177.332 176.887 0.445 19522 2485 1 4 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.884 -2.588 19522 2486 1 4 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.062 -0.825 19522 2487 1 4 . 1 1 154 154 CYS H H 154 8.049 8.049 8.540 -0.491 19522 2488 1 4 . 1 1 155 155 VAL N N 155 118.474 118.474 121.649 -3.175 19522 2489 1 4 . 1 1 155 155 VAL C C 155 175.723 175.723 178.454 -2.731 19522 2490 1 4 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.834 -0.705 19522 2491 1 4 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.635 0.093 19522 2492 1 4 . 1 1 155 155 VAL H H 155 8.016 8.016 7.464 0.552 19522 2493 1 4 . 1 1 156 156 GLU N N 156 119.114 119.114 118.760 0.354 19522 2494 1 4 . 1 1 156 156 GLU C C 156 178.036 178.036 179.032 -0.996 19522 2495 1 4 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.154 3.124 19522 2496 1 4 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.904 -1.452 19522 2497 1 4 . 1 1 156 156 GLU H H 156 8.025 8.025 7.889 0.136 19522 2498 1 4 . 1 1 157 157 SER N N 157 113.391 113.391 116.497 -3.106 19522 2499 1 4 . 1 1 157 157 SER C C 157 175.299 175.299 176.273 -0.974 19522 2500 1 4 . 1 1 157 157 SER CA C 157 62.373 62.373 62.268 0.105 19522 2501 1 4 . 1 1 157 157 SER CB C 157 60.854 60.854 63.234 -2.380 19522 2502 1 4 . 1 1 157 157 SER H H 157 7.629 7.629 8.016 -0.387 19522 2503 1 4 . 1 1 158 158 VAL N N 158 120.493 120.493 121.273 -0.780 19522 2504 1 4 . 1 1 158 158 VAL C C 158 173.977 173.977 177.454 -3.477 19522 2505 1 4 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.597 1.132 19522 2506 1 4 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.900 -1.291 19522 2507 1 4 . 1 1 158 158 VAL H H 158 7.374 7.374 7.553 -0.179 19522 2508 1 4 . 1 1 159 159 ASP N N 159 123.215 123.215 121.682 1.533 19522 2509 1 4 . 1 1 159 159 ASP C C 159 177.696 177.696 177.715 -0.019 19522 2510 1 4 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.746 -0.127 19522 2511 1 4 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.911 -0.993 19522 2512 1 4 . 1 1 159 159 ASP H H 159 8.309 8.309 8.341 -0.032 19522 2513 1 4 . 1 1 160 160 LYS N N 160 115.648 115.648 118.098 -2.450 19522 2514 1 4 . 1 1 160 160 LYS C C 160 174.839 174.839 175.651 -0.812 19522 2515 1 4 . 1 1 160 160 LYS CA C 160 55.101 55.101 56.008 -0.907 19522 2516 1 4 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.989 -2.502 19522 2517 1 4 . 1 1 160 160 LYS H H 160 7.541 7.541 7.487 0.054 19522 2518 1 4 . 1 1 161 161 GLU N N 161 113.911 113.911 117.371 -3.460 19522 2519 1 4 . 1 1 161 161 GLU C C 161 175.781 175.781 176.698 -0.917 19522 2520 1 4 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.191 -1.412 19522 2521 1 4 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.907 -2.853 19522 2522 1 4 . 1 1 161 161 GLU H H 161 7.842 7.842 8.082 -0.240 19522 2523 1 4 . 1 1 162 162 MET N N 162 118.882 118.882 116.237 2.645 19522 2524 1 4 . 1 1 162 162 MET C C 162 176.597 176.597 177.353 -0.756 19522 2525 1 4 . 1 1 162 162 MET CA C 162 52.646 52.646 57.590 -4.944 19522 2526 1 4 . 1 1 162 162 MET CB C 162 30.488 30.488 33.637 -3.149 19522 2527 1 4 . 1 1 162 162 MET H H 162 8.420 8.420 8.460 -0.040 19522 2528 1 4 . 1 1 163 163 GLN N N 163 119.366 119.366 117.404 1.962 19522 2529 1 4 . 1 1 163 163 GLN C C 163 177.397 177.397 176.867 0.530 19522 2530 1 4 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.507 0.669 19522 2531 1 4 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.116 -1.023 19522 2532 1 4 . 1 1 163 163 GLN H H 163 8.615 8.615 8.095 0.520 19522 2533 1 4 . 1 1 164 164 VAL N N 164 116.957 116.957 120.500 -3.543 19522 2534 1 4 . 1 1 164 164 VAL C C 164 175.459 175.459 177.637 -2.178 19522 2535 1 4 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.611 -2.759 19522 2536 1 4 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.399 -1.310 19522 2537 1 4 . 1 1 164 164 VAL H H 164 7.938 7.938 8.002 -0.064 19522 2538 1 4 . 1 1 165 165 LEU N N 165 117.124 117.124 119.455 -2.331 19522 2539 1 4 . 1 1 165 165 LEU C C 165 177.714 177.714 178.291 -0.577 19522 2540 1 4 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.064 -2.381 19522 2541 1 4 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.899 -2.221 19522 2542 1 4 . 1 1 165 165 LEU H H 165 7.741 7.741 7.673 0.068 19522 2543 1 4 . 1 1 166 166 VAL N N 166 119.434 119.434 118.150 1.284 19522 2544 1 4 . 1 1 166 166 VAL C C 166 176.817 176.817 178.061 -1.244 19522 2545 1 4 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.347 1.500 19522 2546 1 4 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.144 -1.774 19522 2547 1 4 . 1 1 166 166 VAL H H 166 7.342 7.342 7.988 -0.646 19522 2548 1 4 . 1 1 167 167 SER N N 167 110.775 110.775 115.596 -4.821 19522 2549 1 4 . 1 1 167 167 SER C C 167 176.737 176.737 175.940 0.797 19522 2550 1 4 . 1 1 167 167 SER CA C 167 60.215 60.215 61.578 -1.363 19522 2551 1 4 . 1 1 167 167 SER CB C 167 61.654 61.654 62.723 -1.069 19522 2552 1 4 . 1 1 167 167 SER H H 167 8.099 8.099 8.535 -0.436 19522 2553 1 4 . 1 1 168 168 ARG N N 168 122.916 122.916 119.440 3.476 19522 2554 1 4 . 1 1 168 168 ARG C C 168 175.439 175.439 177.263 -1.824 19522 2555 1 4 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.463 4.152 19522 2556 1 4 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.528 -2.517 19522 2557 1 4 . 1 1 168 168 ARG H H 168 6.596 6.596 7.318 -0.722 19522 2558 1 4 . 1 1 169 169 ILE N N 169 118.335 118.335 120.993 -2.658 19522 2559 1 4 . 1 1 169 169 ILE C C 169 177.779 177.779 177.509 0.270 19522 2560 1 4 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.586 -1.455 19522 2561 1 4 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.686 -0.725 19522 2562 1 4 . 1 1 169 169 ILE H H 169 7.928 7.928 7.842 0.086 19522 2563 1 4 . 1 1 170 170 ALA N N 170 119.271 119.271 120.940 -1.669 19522 2564 1 4 . 1 1 170 170 ALA C C 170 179.195 179.195 179.107 0.088 19522 2565 1 4 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.393 -1.491 19522 2566 1 4 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.775 -0.951 19522 2567 1 4 . 1 1 170 170 ALA H H 170 7.672 7.672 7.962 -0.290 19522 2568 1 4 . 1 1 171 171 ALA N N 171 120.393 120.393 122.008 -1.615 19522 2569 1 4 . 1 1 171 171 ALA C C 171 180.833 180.833 179.407 1.426 19522 2570 1 4 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.461 -0.319 19522 2571 1 4 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.668 -1.164 19522 2572 1 4 . 1 1 171 171 ALA H H 171 7.258 7.258 7.053 0.205 19522 2573 1 4 . 1 1 172 172 TRP N N 172 121.501 121.501 118.465 3.036 19522 2574 1 4 . 1 1 172 172 TRP C C 172 179.350 179.350 178.482 0.868 19522 2575 1 4 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.883 -1.864 19522 2576 1 4 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.544 -1.252 19522 2577 1 4 . 1 1 172 172 TRP H H 172 8.936 8.936 7.281 1.655 19522 2578 1 4 . 1 1 173 173 MET N N 173 117.211 117.211 119.758 -2.547 19522 2579 1 4 . 1 1 173 173 MET C C 173 176.158 176.158 178.248 -2.090 19522 2580 1 4 . 1 1 173 173 MET CA C 173 60.238 60.238 59.255 0.983 19522 2581 1 4 . 1 1 173 173 MET CB C 173 28.833 28.833 32.912 -4.079 19522 2582 1 4 . 1 1 173 173 MET H H 173 8.885 8.885 8.662 0.223 19522 2583 1 4 . 1 1 174 174 ALA N N 174 120.901 120.901 120.199 0.702 19522 2584 1 4 . 1 1 174 174 ALA C C 174 178.875 178.875 179.584 -0.709 19522 2585 1 4 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.427 -0.566 19522 2586 1 4 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.019 -1.332 19522 2587 1 4 . 1 1 174 174 ALA H H 174 8.206 8.206 8.257 -0.051 19522 2588 1 4 . 1 1 175 175 THR N N 175 116.591 116.591 117.302 -0.711 19522 2589 1 4 . 1 1 175 175 THR C C 175 174.782 174.782 176.510 -1.728 19522 2590 1 4 . 1 1 175 175 THR CA C 175 66.209 66.209 66.964 -0.755 19522 2591 1 4 . 1 1 175 175 THR CB C 175 68.046 68.046 68.680 -0.634 19522 2592 1 4 . 1 1 175 175 THR H H 175 8.530 8.530 7.581 0.949 19522 2593 1 4 . 1 1 176 176 TYR N N 176 123.375 123.375 123.223 0.152 19522 2594 1 4 . 1 1 176 176 TYR C C 176 179.255 179.255 177.187 2.068 19522 2595 1 4 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.087 1.286 19522 2596 1 4 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.791 -0.928 19522 2597 1 4 . 1 1 176 176 TYR H H 176 8.822 8.822 8.184 0.638 19522 2598 1 4 . 1 1 177 177 LEU N N 177 119.511 119.511 121.658 -2.147 19522 2599 1 4 . 1 1 177 177 LEU C C 177 177.979 177.979 178.191 -0.212 19522 2600 1 4 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.638 -0.180 19522 2601 1 4 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.736 -0.460 19522 2602 1 4 . 1 1 177 177 LEU H H 177 8.759 8.759 8.811 -0.052 19522 2603 1 4 . 1 1 178 178 ASN N N 178 117.233 117.233 116.405 0.828 19522 2604 1 4 . 1 1 178 178 ASN C C 178 176.021 176.021 176.919 -0.898 19522 2605 1 4 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.171 -0.328 19522 2606 1 4 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.393 -0.290 19522 2607 1 4 . 1 1 178 178 ASN H H 178 8.333 8.333 7.819 0.514 19522 2608 1 4 . 1 1 179 179 ASP N N 179 115.264 115.264 118.863 -3.599 19522 2609 1 4 . 1 1 179 179 ASP C C 179 177.557 177.557 177.203 0.354 19522 2610 1 4 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.748 -0.848 19522 2611 1 4 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.389 -2.110 19522 2612 1 4 . 1 1 179 179 ASP H H 179 8.451 8.451 7.865 0.586 19522 2613 1 4 . 1 1 180 180 HIS N N 180 111.728 111.728 116.277 -4.549 19522 2614 1 4 . 1 1 180 180 HIS C C 180 175.479 175.479 176.941 -1.462 19522 2615 1 4 . 1 1 180 180 HIS CA C 180 55.421 55.421 57.393 -1.972 19522 2616 1 4 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.224 -2.615 19522 2617 1 4 . 1 1 180 180 HIS H H 180 8.073 8.073 7.847 0.226 19522 2618 1 4 . 1 1 181 181 LEU N N 181 116.833 116.833 121.292 -4.459 19522 2619 1 4 . 1 1 181 181 LEU C C 181 176.160 176.160 178.702 -2.542 19522 2620 1 4 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.679 -3.658 19522 2621 1 4 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.941 -0.185 19522 2622 1 4 . 1 1 181 181 LEU H H 181 7.183 7.183 7.483 -0.300 19522 2623 1 4 . 1 1 182 182 GLU N N 182 121.364 121.364 118.352 3.012 19522 2624 1 4 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.693 -0.679 19522 2625 1 4 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.573 -1.617 19522 2626 1 4 . 1 1 182 182 GLU H H 182 8.596 8.596 8.846 -0.250 19522 2627 1 4 . 1 1 184 184 TRP N N 184 117.804 117.804 120.768 -2.964 19522 2628 1 4 . 1 1 184 184 TRP C C 184 179.217 179.217 178.040 1.177 19522 2629 1 4 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.645 6.027 19522 2630 1 4 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.867 -0.794 19522 2631 1 4 . 1 1 184 184 TRP H H 184 7.070 7.070 7.734 -0.664 19522 2632 1 4 . 1 1 185 185 ILE N N 185 121.825 121.825 119.562 2.263 19522 2633 1 4 . 1 1 185 185 ILE C C 185 178.655 178.655 178.610 0.045 19522 2634 1 4 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.168 0.104 19522 2635 1 4 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.864 -1.919 19522 2636 1 4 . 1 1 185 185 ILE H H 185 8.396 8.396 8.714 -0.318 19522 2637 1 4 . 1 1 186 186 GLN N N 186 116.489 116.489 116.409 0.080 19522 2638 1 4 . 1 1 186 186 GLN C C 186 179.035 179.035 176.880 2.155 19522 2639 1 4 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.534 0.284 19522 2640 1 4 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.184 -1.371 19522 2641 1 4 . 1 1 186 186 GLN H H 186 8.374 8.374 7.785 0.589 19522 2642 1 4 . 1 1 187 187 GLU N N 187 118.764 118.764 119.858 -1.094 19522 2643 1 4 . 1 1 187 187 GLU C C 187 176.458 176.458 177.623 -1.165 19522 2644 1 4 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.259 -0.240 19522 2645 1 4 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.219 -1.808 19522 2646 1 4 . 1 1 187 187 GLU H H 187 7.515 7.515 7.534 -0.019 19522 2647 1 4 . 1 1 188 188 ASN N N 188 116.561 116.561 115.708 0.853 19522 2648 1 4 . 1 1 188 188 ASN C C 188 173.620 173.620 174.775 -1.155 19522 2649 1 4 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.308 -0.445 19522 2650 1 4 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.474 -2.753 19522 2651 1 4 . 1 1 188 188 ASN H H 188 7.092 7.092 7.746 -0.654 19522 2652 1 4 . 1 1 189 189 GLY N N 189 104.897 104.897 104.881 0.016 19522 2653 1 4 . 1 1 189 189 GLY C C 189 175.658 175.658 173.129 2.529 19522 2654 1 4 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.341 0.451 19522 2655 1 4 . 1 1 189 189 GLY H H 189 7.339 7.339 7.286 0.053 19522 2656 1 4 . 1 1 190 190 GLY N N 190 108.292 108.292 109.961 -1.669 19522 2657 1 4 . 1 1 190 190 GLY C C 190 173.021 173.021 174.643 -1.622 19522 2658 1 4 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.178 -1.824 19522 2659 1 4 . 1 1 190 190 GLY H H 190 8.462 8.462 9.204 -0.742 19522 2660 1 4 . 1 1 191 191 TRP N N 191 118.031 118.031 121.427 -3.396 19522 2661 1 4 . 1 1 191 191 TRP C C 191 178.136 178.136 177.309 0.827 19522 2662 1 4 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.138 -0.722 19522 2663 1 4 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.003 -0.353 19522 2664 1 4 . 1 1 191 191 TRP H H 191 8.673 8.673 8.406 0.267 19522 2665 1 4 . 1 1 192 192 ASP N N 192 117.298 117.298 118.671 -1.373 19522 2666 1 4 . 1 1 192 192 ASP C C 192 179.058 179.058 177.723 1.335 19522 2667 1 4 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.316 0.543 19522 2668 1 4 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.437 -0.158 19522 2669 1 4 . 1 1 192 192 ASP H H 192 8.846 8.846 7.968 0.878 19522 2670 1 4 . 1 1 193 193 THR N N 193 116.061 116.061 115.364 0.697 19522 2671 1 4 . 1 1 193 193 THR C C 193 174.979 174.979 175.982 -1.003 19522 2672 1 4 . 1 1 193 193 THR CA C 193 65.649 65.649 64.647 1.002 19522 2673 1 4 . 1 1 193 193 THR CB C 193 67.327 67.327 68.375 -1.048 19522 2674 1 4 . 1 1 193 193 THR H H 193 7.431 7.431 7.113 0.318 19522 2675 1 4 . 1 1 194 194 PHE N N 194 121.789 121.789 122.257 -0.468 19522 2676 1 4 . 1 1 194 194 PHE C C 194 176.418 176.418 177.402 -0.984 19522 2677 1 4 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.972 0.042 19522 2678 1 4 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.124 -2.243 19522 2679 1 4 . 1 1 194 194 PHE H H 194 6.527 6.527 8.264 -1.737 19522 2680 1 4 . 1 1 195 195 VAL N N 195 116.988 116.988 119.376 -2.388 19522 2681 1 4 . 1 1 195 195 VAL C C 195 178.078 178.078 178.053 0.025 19522 2682 1 4 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.391 -0.640 19522 2683 1 4 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.578 -0.090 19522 2684 1 4 . 1 1 195 195 VAL H H 195 7.747 7.747 7.942 -0.195 19522 2685 1 4 . 1 1 196 196 GLU N N 196 120.171 120.171 119.078 1.093 19522 2686 1 4 . 1 1 196 196 GLU C C 196 177.976 177.976 177.383 0.593 19522 2687 1 4 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.037 -0.717 19522 2688 1 4 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.076 -0.403 19522 2689 1 4 . 1 1 196 196 GLU H H 196 7.497 7.497 7.942 -0.445 19522 2690 1 4 . 1 1 197 197 LEU N N 197 117.210 117.210 113.531 3.679 19522 2691 1 4 . 1 1 197 197 LEU C C 197 178.376 178.376 176.120 2.256 19522 2692 1 4 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.774 1.126 19522 2693 1 4 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.849 0.546 19522 2694 1 4 . 1 1 197 197 LEU H H 197 7.626 7.626 7.248 0.378 19522 2695 1 4 . 1 1 198 198 TYR N N 198 115.681 115.681 120.701 -5.020 19522 2696 1 4 . 1 1 198 198 TYR C C 198 176.577 176.577 176.315 0.262 19522 2697 1 4 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.246 -0.869 19522 2698 1 4 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.479 -2.958 19522 2699 1 4 . 1 1 198 198 TYR H H 198 8.081 8.081 7.812 0.269 19522 2700 1 4 . 1 1 199 199 GLY N N 199 108.201 108.201 106.916 1.285 19522 2701 1 4 . 1 1 199 199 GLY C C 199 173.640 173.640 174.559 -0.919 19522 2702 1 4 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.173 -0.620 19522 2703 1 4 . 1 1 199 199 GLY H H 199 8.032 8.032 8.044 -0.012 19522 2704 1 4 . 1 1 200 200 ASN N N 200 118.385 118.385 117.914 0.471 19522 2705 1 4 . 1 1 200 200 ASN C C 200 175.081 175.081 173.352 1.729 19522 2706 1 4 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.322 -0.538 19522 2707 1 4 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.719 -2.278 19522 2708 1 4 . 1 1 200 200 ASN H H 200 8.300 8.300 7.830 0.470 19522 2709 1 5 . 1 1 5 5 SER N N 5 116.171 116.171 120.682 -4.511 19522 2710 1 5 . 1 1 5 5 SER C C 5 174.320 174.320 174.575 -0.255 19522 2711 1 5 . 1 1 5 5 SER CA C 5 57.898 57.898 58.647 -0.749 19522 2712 1 5 . 1 1 5 5 SER CB C 5 62.533 62.533 63.655 -1.122 19522 2713 1 5 . 1 1 5 5 SER H H 5 8.224 8.224 8.644 -0.420 19522 2714 1 5 . 1 1 6 6 GLN N N 6 122.369 122.369 118.813 3.556 19522 2715 1 5 . 1 1 6 6 GLN C C 6 176.418 176.418 176.096 0.322 19522 2716 1 5 . 1 1 6 6 GLN CA C 6 55.900 55.900 55.994 -0.094 19522 2717 1 5 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.979 0.831 19522 2718 1 5 . 1 1 6 6 GLN H H 6 8.337 8.337 8.491 -0.154 19522 2719 1 5 . 1 1 7 7 SER N N 7 116.584 116.584 114.721 1.863 19522 2720 1 5 . 1 1 7 7 SER C C 7 175.859 175.859 176.204 -0.345 19522 2721 1 5 . 1 1 7 7 SER CA C 7 56.260 56.260 61.013 -4.753 19522 2722 1 5 . 1 1 7 7 SER CB C 7 61.916 61.916 62.882 -0.966 19522 2723 1 5 . 1 1 7 7 SER H H 7 8.221 8.221 8.874 -0.653 19522 2724 1 5 . 1 1 8 8 ASN N N 8 119.373 119.373 121.059 -1.686 19522 2725 1 5 . 1 1 8 8 ASN C C 8 177.259 177.259 177.155 0.104 19522 2726 1 5 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.845 -2.638 19522 2727 1 5 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.406 -1.742 19522 2728 1 5 . 1 1 8 8 ASN H H 8 8.375 8.375 7.906 0.469 19522 2729 1 5 . 1 1 9 9 ARG N N 9 119.039 119.039 121.535 -2.496 19522 2730 1 5 . 1 1 9 9 ARG C C 9 176.977 176.977 178.455 -1.478 19522 2731 1 5 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.142 -1.136 19522 2732 1 5 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.203 1.107 19522 2733 1 5 . 1 1 9 9 ARG H H 9 7.815 7.815 8.758 -0.943 19522 2734 1 5 . 1 1 10 10 GLU N N 10 117.158 117.158 119.669 -2.511 19522 2735 1 5 . 1 1 10 10 GLU C C 10 179.475 179.475 179.078 0.397 19522 2736 1 5 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.421 -3.924 19522 2737 1 5 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.114 -0.121 19522 2738 1 5 . 1 1 10 10 GLU H H 10 7.949 7.949 8.432 -0.483 19522 2739 1 5 . 1 1 11 11 LEU N N 11 119.880 119.880 120.231 -0.351 19522 2740 1 5 . 1 1 11 11 LEU C C 11 178.096 178.096 178.797 -0.701 19522 2741 1 5 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.725 -0.524 19522 2742 1 5 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.356 -1.438 19522 2743 1 5 . 1 1 11 11 LEU H H 11 7.807 7.807 7.439 0.368 19522 2744 1 5 . 1 1 12 12 VAL N N 12 117.702 117.702 119.600 -1.898 19522 2745 1 5 . 1 1 12 12 VAL C C 12 176.377 176.377 178.433 -2.056 19522 2746 1 5 . 1 1 12 12 VAL CA C 12 67.088 67.088 66.934 0.154 19522 2747 1 5 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.067 -0.099 19522 2748 1 5 . 1 1 12 12 VAL H H 12 7.690 7.690 7.970 -0.280 19522 2749 1 5 . 1 1 13 13 VAL N N 13 116.258 116.258 115.766 0.492 19522 2750 1 5 . 1 1 13 13 VAL C C 13 178.416 178.416 177.252 1.164 19522 2751 1 5 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.880 0.032 19522 2752 1 5 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.739 -2.146 19522 2753 1 5 . 1 1 13 13 VAL H H 13 8.225 8.225 7.991 0.234 19522 2754 1 5 . 1 1 14 14 ASP N N 14 120.362 120.362 122.306 -1.944 19522 2755 1 5 . 1 1 14 14 ASP C C 14 177.040 177.040 177.741 -0.701 19522 2756 1 5 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.432 0.546 19522 2757 1 5 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.060 1.198 19522 2758 1 5 . 1 1 14 14 ASP H H 14 7.967 7.967 7.880 0.087 19522 2759 1 5 . 1 1 15 15 PHE N N 15 119.747 119.747 120.262 -0.515 19522 2760 1 5 . 1 1 15 15 PHE C C 15 177.876 177.876 177.339 0.537 19522 2761 1 5 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.271 1.204 19522 2762 1 5 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.063 -0.481 19522 2763 1 5 . 1 1 15 15 PHE H H 15 8.308 8.308 8.310 -0.002 19522 2764 1 5 . 1 1 16 16 LEU N N 16 116.203 116.203 119.715 -3.512 19522 2765 1 5 . 1 1 16 16 LEU C C 16 175.618 175.618 178.393 -2.775 19522 2766 1 5 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.133 -0.555 19522 2767 1 5 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.736 -1.396 19522 2768 1 5 . 1 1 16 16 LEU H H 16 8.718 8.718 7.828 0.890 19522 2769 1 5 . 1 1 17 17 SER N N 17 113.607 113.607 115.434 -1.827 19522 2770 1 5 . 1 1 17 17 SER C C 17 176.980 176.980 176.440 0.540 19522 2771 1 5 . 1 1 17 17 SER CA C 17 62.150 62.150 62.264 -0.114 19522 2772 1 5 . 1 1 17 17 SER CB C 17 60.854 60.854 62.825 -1.971 19522 2773 1 5 . 1 1 17 17 SER H H 17 8.338 8.338 8.251 0.087 19522 2774 1 5 . 1 1 18 18 TYR N N 18 124.591 124.591 122.613 1.978 19522 2775 1 5 . 1 1 18 18 TYR C C 18 177.996 177.996 176.875 1.121 19522 2776 1 5 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.679 -1.400 19522 2777 1 5 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.405 -2.060 19522 2778 1 5 . 1 1 18 18 TYR H H 18 8.228 8.228 8.237 -0.009 19522 2779 1 5 . 1 1 19 19 LYS N N 19 119.761 119.761 118.362 1.399 19522 2780 1 5 . 1 1 19 19 LYS C C 19 179.841 179.841 178.540 1.301 19522 2781 1 5 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.520 -1.437 19522 2782 1 5 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.376 -3.726 19522 2783 1 5 . 1 1 19 19 LYS H H 19 8.230 8.230 7.304 0.926 19522 2784 1 5 . 1 1 20 20 LEU N N 20 118.077 118.077 119.770 -1.693 19522 2785 1 5 . 1 1 20 20 LEU C C 20 179.654 179.654 177.670 1.984 19522 2786 1 5 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.928 1.050 19522 2787 1 5 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.797 -2.359 19522 2788 1 5 . 1 1 20 20 LEU H H 20 8.534 8.534 8.143 0.391 19522 2789 1 5 . 1 1 21 21 SER N N 21 117.073 117.073 111.149 5.924 19522 2790 1 5 . 1 1 21 21 SER C C 21 178.204 178.204 174.464 3.740 19522 2791 1 5 . 1 1 21 21 SER CA C 21 60.375 60.375 58.218 2.156 19522 2792 1 5 . 1 1 21 21 SER CB C 21 61.836 61.836 62.420 -0.584 19522 2793 1 5 . 1 1 21 21 SER H H 21 8.239 8.239 7.407 0.832 19522 2794 1 5 . 1 1 22 22 GLN N N 22 122.767 122.767 120.996 1.771 19522 2795 1 5 . 1 1 22 22 GLN C C 22 176.997 176.997 176.030 0.967 19522 2796 1 5 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.859 -0.281 19522 2797 1 5 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.526 -2.394 19522 2798 1 5 . 1 1 22 22 GLN H H 22 7.632 7.632 7.637 -0.005 19522 2799 1 5 . 1 1 23 23 LYS N N 23 116.016 116.016 118.820 -2.804 19522 2800 1 5 . 1 1 23 23 LYS C C 23 175.419 175.419 175.103 0.316 19522 2801 1 5 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.140 -3.197 19522 2802 1 5 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.492 -2.444 19522 2803 1 5 . 1 1 23 23 LYS H H 23 7.167 7.167 8.214 -1.047 19522 2804 1 5 . 1 1 24 24 GLY N N 24 105.329 105.329 111.160 -5.831 19522 2805 1 5 . 1 1 24 24 GLY C C 24 173.680 173.680 173.836 -0.156 19522 2806 1 5 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.756 -0.443 19522 2807 1 5 . 1 1 24 24 GLY H H 24 7.504 7.504 8.309 -0.805 19522 2808 1 5 . 1 1 25 25 TYR N N 25 119.528 119.528 118.694 0.834 19522 2809 1 5 . 1 1 25 25 TYR C C 25 174.779 174.779 174.608 0.171 19522 2810 1 5 . 1 1 25 25 TYR CA C 25 57.761 57.761 56.491 1.270 19522 2811 1 5 . 1 1 25 25 TYR CB C 25 39.301 39.301 37.437 1.864 19522 2812 1 5 . 1 1 25 25 TYR H H 25 7.817 7.817 7.696 0.121 19522 2813 1 5 . 1 1 26 26 SER N N 26 115.815 115.815 122.035 -6.220 19522 2814 1 5 . 1 1 26 26 SER C C 26 173.860 173.860 176.150 -2.290 19522 2815 1 5 . 1 1 26 26 SER CA C 26 56.083 56.083 57.599 -1.516 19522 2816 1 5 . 1 1 26 26 SER CB C 26 63.275 63.275 63.655 -0.380 19522 2817 1 5 . 1 1 26 26 SER H H 26 8.475 8.475 7.838 0.637 19522 2818 1 5 . 1 1 27 27 TRP N N 27 126.476 126.476 122.363 4.113 19522 2819 1 5 . 1 1 27 27 TRP C C 27 174.141 174.141 177.234 -3.093 19522 2820 1 5 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.361 0.039 19522 2821 1 5 . 1 1 27 27 TRP CB C 27 29.210 29.210 28.924 0.286 19522 2822 1 5 . 1 1 27 27 TRP H H 27 8.720 8.720 7.497 1.223 19522 2823 1 5 . 1 1 28 28 SER N N 28 114.011 114.011 114.850 -0.839 19522 2824 1 5 . 1 1 28 28 SER C C 28 172.859 172.859 175.690 -2.831 19522 2825 1 5 . 1 1 28 28 SER CA C 28 66.186 66.186 60.514 5.672 19522 2826 1 5 . 1 1 28 28 SER CB C 28 61.996 61.996 62.407 -0.411 19522 2827 1 5 . 1 1 28 28 SER H H 28 8.034 8.034 7.866 0.168 19522 2828 1 5 . 1 1 29 29 GLN N N 29 120.138 120.138 120.233 -0.095 19522 2829 1 5 . 1 1 29 29 GLN C C 29 177.250 177.250 176.701 0.549 19522 2830 1 5 . 1 1 29 29 GLN CA C 29 55.170 55.170 58.107 -2.937 19522 2831 1 5 . 1 1 29 29 GLN CB C 29 28.339 28.339 28.828 -0.489 19522 2832 1 5 . 1 1 29 29 GLN H H 29 7.323 7.323 7.431 -0.108 19522 2833 1 5 . 1 1 30 30 PHE N N 30 113.775 113.775 118.103 -4.328 19522 2834 1 5 . 1 1 30 30 PHE C C 30 176.814 176.814 176.613 0.201 19522 2835 1 5 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.036 -2.873 19522 2836 1 5 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.904 -2.064 19522 2837 1 5 . 1 1 30 30 PHE H H 30 6.778 6.778 7.320 -0.542 19522 2838 1 5 . 1 1 87 87 ALA N N 87 124.732 124.732 124.030 0.702 19522 2839 1 5 . 1 1 87 87 ALA C C 87 175.941 175.941 177.160 -1.219 19522 2840 1 5 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.015 -2.165 19522 2841 1 5 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.388 -1.822 19522 2842 1 5 . 1 1 87 87 ALA H H 87 8.079 8.079 8.683 -0.604 19522 2843 1 5 . 1 1 88 88 ALA N N 88 121.664 121.664 120.902 0.762 19522 2844 1 5 . 1 1 88 88 ALA C C 88 177.523 177.523 178.010 -0.487 19522 2845 1 5 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.438 3.713 19522 2846 1 5 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.213 0.250 19522 2847 1 5 . 1 1 88 88 ALA H H 88 7.951 7.951 7.730 0.221 19522 2848 1 5 . 1 1 89 89 VAL N N 89 119.415 119.415 118.911 0.504 19522 2849 1 5 . 1 1 89 89 VAL C C 89 176.857 176.857 176.647 0.210 19522 2850 1 5 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.309 -4.473 19522 2851 1 5 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.432 -0.361 19522 2852 1 5 . 1 1 89 89 VAL H H 89 8.161 8.161 8.285 -0.124 19522 2853 1 5 . 1 1 90 90 LYS N N 90 121.221 121.221 119.321 1.900 19522 2854 1 5 . 1 1 90 90 LYS C C 90 175.559 175.559 178.293 -2.734 19522 2855 1 5 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.597 -3.514 19522 2856 1 5 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.694 -2.781 19522 2857 1 5 . 1 1 90 90 LYS H H 90 8.529 8.529 8.353 0.176 19522 2858 1 5 . 1 1 91 91 GLN N N 91 115.879 115.879 119.216 -3.337 19522 2859 1 5 . 1 1 91 91 GLN C C 91 176.950 176.950 178.187 -1.237 19522 2860 1 5 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.585 -0.664 19522 2861 1 5 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.884 -0.649 19522 2862 1 5 . 1 1 91 91 GLN H H 91 7.973 7.973 7.848 0.125 19522 2863 1 5 . 1 1 92 92 ALA N N 92 119.538 119.538 123.051 -3.513 19522 2864 1 5 . 1 1 92 92 ALA C C 92 179.537 179.537 179.902 -0.365 19522 2865 1 5 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.364 -1.119 19522 2866 1 5 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.287 -1.520 19522 2867 1 5 . 1 1 92 92 ALA H H 92 7.661 7.661 8.420 -0.759 19522 2868 1 5 . 1 1 93 93 LEU N N 93 120.236 120.236 118.847 1.389 19522 2869 1 5 . 1 1 93 93 LEU C C 93 179.075 179.075 179.288 -0.213 19522 2870 1 5 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.462 0.325 19522 2871 1 5 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.532 0.025 19522 2872 1 5 . 1 1 93 93 LEU H H 93 8.544 8.544 8.286 0.258 19522 2873 1 5 . 1 1 94 94 ARG N N 94 118.361 118.361 120.372 -2.011 19522 2874 1 5 . 1 1 94 94 ARG C C 94 178.396 178.396 178.609 -0.213 19522 2875 1 5 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.759 -0.023 19522 2876 1 5 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.805 -1.714 19522 2877 1 5 . 1 1 94 94 ARG H H 94 8.057 8.057 8.273 -0.216 19522 2878 1 5 . 1 1 95 95 GLU N N 95 115.851 115.851 119.158 -3.307 19522 2879 1 5 . 1 1 95 95 GLU C C 95 179.794 179.794 179.192 0.602 19522 2880 1 5 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.698 -1.481 19522 2881 1 5 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.386 -1.295 19522 2882 1 5 . 1 1 95 95 GLU H H 95 7.737 7.737 8.382 -0.645 19522 2883 1 5 . 1 1 96 96 ALA N N 96 122.958 122.958 121.081 1.877 19522 2884 1 5 . 1 1 96 96 ALA C C 96 181.313 181.313 180.081 1.232 19522 2885 1 5 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.972 -0.670 19522 2886 1 5 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.524 -0.821 19522 2887 1 5 . 1 1 96 96 ALA H H 96 8.824 8.824 7.895 0.929 19522 2888 1 5 . 1 1 97 97 GLY N N 97 108.363 108.363 107.494 0.869 19522 2889 1 5 . 1 1 97 97 GLY C C 97 178.177 178.177 176.282 1.895 19522 2890 1 5 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.487 -1.496 19522 2891 1 5 . 1 1 97 97 GLY H H 97 9.088 9.088 8.464 0.624 19522 2892 1 5 . 1 1 98 98 ASP N N 98 122.197 122.197 122.209 -0.012 19522 2893 1 5 . 1 1 98 98 ASP C C 98 178.715 178.715 178.793 -0.078 19522 2894 1 5 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.829 -0.810 19522 2895 1 5 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.931 -2.452 19522 2896 1 5 . 1 1 98 98 ASP H H 98 8.102 8.102 8.477 -0.375 19522 2897 1 5 . 1 1 99 99 GLU N N 99 120.103 120.103 119.163 0.940 19522 2898 1 5 . 1 1 99 99 GLU C C 99 179.513 179.513 178.897 0.616 19522 2899 1 5 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.171 -5.419 19522 2900 1 5 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.674 -1.183 19522 2901 1 5 . 1 1 99 99 GLU H H 99 8.115 8.115 7.765 0.350 19522 2902 1 5 . 1 1 100 100 PHE N N 100 120.218 120.218 118.842 1.376 19522 2903 1 5 . 1 1 100 100 PHE C C 100 178.618 178.618 177.570 1.048 19522 2904 1 5 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.357 -3.897 19522 2905 1 5 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.855 0.481 19522 2906 1 5 . 1 1 100 100 PHE H H 100 8.535 8.535 8.085 0.450 19522 2907 1 5 . 1 1 101 101 GLU N N 101 117.531 117.531 121.113 -3.582 19522 2908 1 5 . 1 1 101 101 GLU C C 101 177.339 177.339 179.081 -1.742 19522 2909 1 5 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.183 -2.582 19522 2910 1 5 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.820 -1.227 19522 2911 1 5 . 1 1 101 101 GLU H H 101 8.032 8.032 8.533 -0.501 19522 2912 1 5 . 1 1 102 102 LEU N N 102 116.641 116.641 115.704 0.937 19522 2913 1 5 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.748 -1.160 19522 2914 1 5 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.503 -0.730 19522 2915 1 5 . 1 1 102 102 LEU H H 102 7.369 7.369 7.794 -0.425 19522 2916 1 5 . 1 1 103 103 ARG N N 103 115.854 115.854 118.659 -2.805 19522 2917 1 5 . 1 1 103 103 ARG C C 103 177.605 177.605 177.747 -0.142 19522 2918 1 5 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.386 0.601 19522 2919 1 5 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.184 -0.034 19522 2920 1 5 . 1 1 103 103 ARG H H 103 7.472 7.472 7.895 -0.423 19522 2921 1 5 . 1 1 104 104 TYR N N 104 119.078 119.078 119.454 -0.376 19522 2922 1 5 . 1 1 104 104 TYR C C 104 174.962 174.962 177.304 -2.342 19522 2923 1 5 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.100 -0.259 19522 2924 1 5 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.744 -2.116 19522 2925 1 5 . 1 1 104 104 TYR H H 104 7.904 7.904 7.923 -0.019 19522 2926 1 5 . 1 1 105 105 ARG N N 105 119.378 119.378 118.653 0.725 19522 2927 1 5 . 1 1 105 105 ARG C C 105 178.395 178.395 177.003 1.392 19522 2928 1 5 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.702 1.219 19522 2929 1 5 . 1 1 105 105 ARG CB C 105 27.794 27.794 28.927 -1.133 19522 2930 1 5 . 1 1 105 105 ARG H H 105 7.195 7.195 8.325 -1.130 19522 2931 1 5 . 1 1 106 106 ARG N N 106 118.875 118.875 119.987 -1.112 19522 2932 1 5 . 1 1 106 106 ARG C C 106 177.257 177.257 176.142 1.115 19522 2933 1 5 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.683 1.232 19522 2934 1 5 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.314 -2.760 19522 2935 1 5 . 1 1 106 106 ARG H H 106 8.452 8.452 7.754 0.698 19522 2936 1 5 . 1 1 107 107 ALA N N 107 121.864 121.864 120.996 0.868 19522 2937 1 5 . 1 1 107 107 ALA C C 107 175.701 175.701 176.418 -0.717 19522 2938 1 5 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.612 1.032 19522 2939 1 5 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.049 0.014 19522 2940 1 5 . 1 1 107 107 ALA H H 107 7.839 7.839 7.860 -0.021 19522 2941 1 5 . 1 1 108 108 PHE N N 108 121.984 121.984 116.589 5.395 19522 2942 1 5 . 1 1 108 108 PHE C C 108 174.982 174.982 174.983 -0.001 19522 2943 1 5 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.651 0.391 19522 2944 1 5 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.167 0.671 19522 2945 1 5 . 1 1 108 108 PHE H H 108 8.392 8.392 8.034 0.358 19522 2946 1 5 . 1 1 109 109 SER N N 109 114.585 114.585 117.874 -3.289 19522 2947 1 5 . 1 1 109 109 SER C C 109 175.421 175.421 174.806 0.615 19522 2948 1 5 . 1 1 109 109 SER CA C 109 55.044 55.044 57.558 -2.514 19522 2949 1 5 . 1 1 109 109 SER CB C 109 63.241 63.241 64.629 -1.388 19522 2950 1 5 . 1 1 109 109 SER H H 109 7.810 7.810 7.666 0.144 19522 2951 1 5 . 1 1 110 110 ASP N N 110 119.725 119.725 121.832 -2.107 19522 2952 1 5 . 1 1 110 110 ASP C C 110 178.196 178.196 178.404 -0.208 19522 2953 1 5 . 1 1 110 110 ASP CA C 110 55.980 55.980 56.596 -0.616 19522 2954 1 5 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.250 -2.410 19522 2955 1 5 . 1 1 110 110 ASP H H 110 8.380 8.380 8.653 -0.273 19522 2956 1 5 . 1 1 111 111 LEU N N 111 120.827 120.827 120.318 0.509 19522 2957 1 5 . 1 1 111 111 LEU C C 111 178.804 178.804 178.367 0.437 19522 2958 1 5 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.580 -1.481 19522 2959 1 5 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.596 -0.799 19522 2960 1 5 . 1 1 111 111 LEU H H 111 7.783 7.783 8.352 -0.569 19522 2961 1 5 . 1 1 112 112 THR N N 112 109.101 109.101 112.919 -3.818 19522 2962 1 5 . 1 1 112 112 THR C C 112 177.157 177.157 177.423 -0.266 19522 2963 1 5 . 1 1 112 112 THR CA C 112 64.690 64.690 66.117 -1.427 19522 2964 1 5 . 1 1 112 112 THR CB C 112 67.407 67.407 68.295 -0.888 19522 2965 1 5 . 1 1 112 112 THR H H 112 8.331 8.331 7.916 0.415 19522 2966 1 5 . 1 1 113 113 SER N N 113 115.811 115.811 118.728 -2.917 19522 2967 1 5 . 1 1 113 113 SER C C 113 175.319 175.319 176.696 -1.377 19522 2968 1 5 . 1 1 113 113 SER CA C 113 59.736 59.736 61.563 -1.827 19522 2969 1 5 . 1 1 113 113 SER CB C 113 62.213 62.213 62.920 -0.707 19522 2970 1 5 . 1 1 113 113 SER H H 113 7.645 7.645 7.651 -0.006 19522 2971 1 5 . 1 1 114 114 GLN N N 114 118.421 118.421 122.602 -4.181 19522 2972 1 5 . 1 1 114 114 GLN C C 114 175.978 175.978 178.106 -2.128 19522 2973 1 5 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.454 -1.995 19522 2974 1 5 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.435 -0.424 19522 2975 1 5 . 1 1 114 114 GLN H H 114 7.614 7.614 8.281 -0.667 19522 2976 1 5 . 1 1 115 115 LEU N N 115 118.236 118.236 118.020 0.216 19522 2977 1 5 . 1 1 115 115 LEU C C 115 176.198 176.198 177.499 -1.301 19522 2978 1 5 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.084 -1.280 19522 2979 1 5 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.721 -0.166 19522 2980 1 5 . 1 1 115 115 LEU H H 115 7.383 7.383 8.101 -0.718 19522 2981 1 5 . 1 1 116 116 HIS N N 116 119.694 119.694 116.114 3.580 19522 2982 1 5 . 1 1 116 116 HIS C C 116 174.122 174.122 174.364 -0.242 19522 2983 1 5 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.648 -1.269 19522 2984 1 5 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.103 -0.852 19522 2985 1 5 . 1 1 116 116 HIS H H 116 8.158 8.158 8.154 0.004 19522 2986 1 5 . 1 1 117 117 ILE N N 117 122.347 122.347 114.011 8.336 19522 2987 1 5 . 1 1 117 117 ILE C C 117 176.377 176.377 175.354 1.023 19522 2988 1 5 . 1 1 117 117 ILE CA C 117 60.717 60.717 62.048 -1.331 19522 2989 1 5 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.651 1.573 19522 2990 1 5 . 1 1 117 117 ILE H H 117 8.658 8.658 8.157 0.501 19522 2991 1 5 . 1 1 118 118 THR N N 118 115.798 115.798 118.403 -2.605 19522 2992 1 5 . 1 1 118 118 THR CA C 118 57.921 57.921 59.589 -1.668 19522 2993 1 5 . 1 1 118 118 THR CB C 118 63.434 63.434 68.790 -5.356 19522 2994 1 5 . 1 1 118 118 THR H H 118 8.227 8.227 8.130 0.097 19522 2995 1 5 . 1 1 120 120 GLY N N 120 109.574 109.574 107.929 1.645 19522 2996 1 5 . 1 1 120 120 GLY C C 120 180.495 180.495 173.644 6.851 19522 2997 1 5 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.686 -1.293 19522 2998 1 5 . 1 1 120 120 GLY H H 120 8.429 8.429 7.984 0.445 19522 2999 1 5 . 1 1 121 121 THR N N 121 113.419 113.419 116.050 -2.631 19522 3000 1 5 . 1 1 121 121 THR C C 121 178.096 178.096 173.765 4.331 19522 3001 1 5 . 1 1 121 121 THR CA C 121 62.041 62.041 62.117 -0.076 19522 3002 1 5 . 1 1 121 121 THR CB C 121 63.994 63.994 66.650 -2.655 19522 3003 1 5 . 1 1 121 121 THR H H 121 7.774 7.774 8.034 -0.260 19522 3004 1 5 . 1 1 122 122 ALA N N 122 121.876 121.876 125.651 -3.775 19522 3005 1 5 . 1 1 122 122 ALA C C 122 177.397 177.397 177.093 0.304 19522 3006 1 5 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.689 -1.065 19522 3007 1 5 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.717 -2.192 19522 3008 1 5 . 1 1 122 122 ALA H H 122 7.944 7.944 8.381 -0.437 19522 3009 1 5 . 1 1 123 123 TYR N N 123 120.931 120.931 116.737 4.194 19522 3010 1 5 . 1 1 123 123 TYR C C 123 176.060 176.060 177.395 -1.335 19522 3011 1 5 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.706 1.349 19522 3012 1 5 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.477 -1.995 19522 3013 1 5 . 1 1 123 123 TYR H H 123 8.748 8.748 7.676 1.072 19522 3014 1 5 . 1 1 124 124 GLN N N 124 115.002 115.002 121.017 -6.015 19522 3015 1 5 . 1 1 124 124 GLN C C 124 178.098 178.098 178.363 -0.265 19522 3016 1 5 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.935 -0.295 19522 3017 1 5 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.385 -1.869 19522 3018 1 5 . 1 1 124 124 GLN H H 124 8.454 8.454 7.251 1.203 19522 3019 1 5 . 1 1 125 125 SER N N 125 114.135 114.135 115.509 -1.374 19522 3020 1 5 . 1 1 125 125 SER C C 125 179.557 179.557 176.193 3.364 19522 3021 1 5 . 1 1 125 125 SER CA C 125 61.357 61.357 61.523 -0.166 19522 3022 1 5 . 1 1 125 125 SER CB C 125 61.357 61.357 62.706 -1.349 19522 3023 1 5 . 1 1 125 125 SER H H 125 7.283 7.283 7.634 -0.351 19522 3024 1 5 . 1 1 126 126 PHE N N 126 113.327 113.327 123.546 -10.219 19522 3025 1 5 . 1 1 126 126 PHE C C 126 174.879 174.879 176.909 -2.030 19522 3026 1 5 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.983 0.134 19522 3027 1 5 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.073 -1.370 19522 3028 1 5 . 1 1 126 126 PHE H H 126 6.606 6.606 8.137 -1.531 19522 3029 1 5 . 1 1 127 127 GLU N N 127 119.398 119.398 118.863 0.535 19522 3030 1 5 . 1 1 127 127 GLU C C 127 176.857 176.857 178.855 -1.998 19522 3031 1 5 . 1 1 127 127 GLU CA C 127 58.058 58.058 60.018 -1.960 19522 3032 1 5 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.311 -0.421 19522 3033 1 5 . 1 1 127 127 GLU H H 127 8.546 8.546 7.849 0.697 19522 3034 1 5 . 1 1 128 128 GLN N N 128 114.754 114.754 119.715 -4.961 19522 3035 1 5 . 1 1 128 128 GLN C C 128 178.356 178.356 178.384 -0.028 19522 3036 1 5 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.713 -0.633 19522 3037 1 5 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.448 -1.453 19522 3038 1 5 . 1 1 128 128 GLN H H 128 7.525 7.525 8.241 -0.716 19522 3039 1 5 . 1 1 129 129 VAL N N 129 118.194 118.194 118.747 -0.553 19522 3040 1 5 . 1 1 129 129 VAL C C 129 177.756 177.756 178.929 -1.173 19522 3041 1 5 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.295 -1.205 19522 3042 1 5 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.466 -1.217 19522 3043 1 5 . 1 1 129 129 VAL H H 129 7.036 7.036 7.830 -0.794 19522 3044 1 5 . 1 1 130 130 VAL N N 130 119.459 119.459 120.304 -0.845 19522 3045 1 5 . 1 1 130 130 VAL C C 130 177.714 177.714 178.215 -0.501 19522 3046 1 5 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.360 -0.951 19522 3047 1 5 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.608 -1.136 19522 3048 1 5 . 1 1 130 130 VAL H H 130 7.831 7.831 8.465 -0.634 19522 3049 1 5 . 1 1 131 131 ASN N N 131 117.212 117.212 117.471 -0.259 19522 3050 1 5 . 1 1 131 131 ASN C C 131 178.775 178.775 177.218 1.557 19522 3051 1 5 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.457 -1.813 19522 3052 1 5 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.499 -2.235 19522 3053 1 5 . 1 1 131 131 ASN H H 131 8.374 8.374 8.589 -0.215 19522 3054 1 5 . 1 1 132 132 GLU N N 132 118.393 118.393 119.964 -1.571 19522 3055 1 5 . 1 1 132 132 GLU C C 132 179.097 179.097 178.521 0.576 19522 3056 1 5 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.825 -0.847 19522 3057 1 5 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.341 -1.969 19522 3058 1 5 . 1 1 132 132 GLU H H 132 7.226 7.226 7.577 -0.351 19522 3059 1 5 . 1 1 133 133 LEU N N 133 120.835 120.835 119.478 1.357 19522 3060 1 5 . 1 1 133 133 LEU C C 133 178.016 178.016 177.970 0.046 19522 3061 1 5 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.526 -0.724 19522 3062 1 5 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.490 -1.709 19522 3063 1 5 . 1 1 133 133 LEU H H 133 7.467 7.467 7.489 -0.022 19522 3064 1 5 . 1 1 134 134 PHE N N 134 112.847 112.847 117.807 -4.960 19522 3065 1 5 . 1 1 134 134 PHE C C 134 176.258 176.258 177.488 -1.230 19522 3066 1 5 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.931 -4.392 19522 3067 1 5 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.499 -0.636 19522 3068 1 5 . 1 1 134 134 PHE H H 134 6.926 6.926 7.431 -0.505 19522 3069 1 5 . 1 1 135 135 ARG N N 135 123.664 123.664 117.604 6.060 19522 3070 1 5 . 1 1 135 135 ARG C C 135 176.957 176.957 177.076 -0.119 19522 3071 1 5 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.252 0.685 19522 3072 1 5 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.433 -2.422 19522 3073 1 5 . 1 1 135 135 ARG H H 135 7.144 7.144 7.789 -0.645 19522 3074 1 5 . 1 1 136 136 ASP N N 136 116.448 116.448 116.178 0.270 19522 3075 1 5 . 1 1 136 136 ASP C C 136 175.339 175.339 177.004 -1.665 19522 3076 1 5 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.236 -0.893 19522 3077 1 5 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.394 -4.796 19522 3078 1 5 . 1 1 136 136 ASP H H 136 8.607 8.607 7.544 1.063 19522 3079 1 5 . 1 1 137 137 GLY N N 137 108.506 108.506 108.826 -0.320 19522 3080 1 5 . 1 1 137 137 GLY C C 137 172.324 172.324 173.900 -1.576 19522 3081 1 5 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.614 -1.819 19522 3082 1 5 . 1 1 137 137 GLY H H 137 7.468 7.468 8.339 -0.871 19522 3083 1 5 . 1 1 138 138 VAL N N 138 120.519 120.519 123.817 -3.298 19522 3084 1 5 . 1 1 138 138 VAL C C 138 174.160 174.160 174.687 -0.527 19522 3085 1 5 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.649 0.244 19522 3086 1 5 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.506 1.302 19522 3087 1 5 . 1 1 138 138 VAL H H 138 8.181 8.181 8.377 -0.196 19522 3088 1 5 . 1 1 139 139 ASN N N 139 115.573 115.573 122.136 -6.563 19522 3089 1 5 . 1 1 139 139 ASN C C 139 174.959 174.959 175.494 -0.535 19522 3090 1 5 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.689 -0.664 19522 3091 1 5 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.291 -1.652 19522 3092 1 5 . 1 1 139 139 ASN H H 139 6.261 6.261 7.520 -1.259 19522 3093 1 5 . 1 1 140 140 TRP N N 140 118.231 118.231 126.685 -8.454 19522 3094 1 5 . 1 1 140 140 TRP C C 140 177.976 177.976 177.650 0.326 19522 3095 1 5 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.428 0.707 19522 3096 1 5 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.028 -0.419 19522 3097 1 5 . 1 1 140 140 TRP H H 140 8.413 8.413 9.194 -0.781 19522 3098 1 5 . 1 1 141 141 GLY N N 141 106.238 106.238 105.722 0.516 19522 3099 1 5 . 1 1 141 141 GLY C C 141 177.297 177.297 175.743 1.554 19522 3100 1 5 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.477 -0.006 19522 3101 1 5 . 1 1 141 141 GLY H H 141 8.494 8.494 8.692 -0.198 19522 3102 1 5 . 1 1 142 142 ARG N N 142 121.156 121.156 122.172 -1.016 19522 3103 1 5 . 1 1 142 142 ARG C C 142 177.457 177.457 177.877 -0.420 19522 3104 1 5 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.096 0.402 19522 3105 1 5 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.078 -0.469 19522 3106 1 5 . 1 1 142 142 ARG H H 142 8.104 8.104 7.459 0.645 19522 3107 1 5 . 1 1 143 143 ILE N N 143 120.888 120.888 120.680 0.208 19522 3108 1 5 . 1 1 143 143 ILE C C 143 177.756 177.756 176.981 0.775 19522 3109 1 5 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.672 1.217 19522 3110 1 5 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.833 -2.229 19522 3111 1 5 . 1 1 143 143 ILE H H 143 7.696 7.696 7.656 0.040 19522 3112 1 5 . 1 1 144 144 VAL N N 144 120.958 120.958 118.756 2.202 19522 3113 1 5 . 1 1 144 144 VAL C C 144 177.557 177.557 177.542 0.015 19522 3114 1 5 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.367 0.721 19522 3115 1 5 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.168 -0.079 19522 3116 1 5 . 1 1 144 144 VAL H H 144 8.229 8.229 7.428 0.801 19522 3117 1 5 . 1 1 145 145 ALA N N 145 121.229 121.229 122.750 -1.521 19522 3118 1 5 . 1 1 145 145 ALA C C 145 177.999 177.999 178.978 -0.979 19522 3119 1 5 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.949 -0.887 19522 3120 1 5 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.188 -1.205 19522 3121 1 5 . 1 1 145 145 ALA H H 145 7.579 7.579 7.487 0.092 19522 3122 1 5 . 1 1 146 146 PHE N N 146 119.338 119.338 120.108 -0.770 19522 3123 1 5 . 1 1 146 146 PHE C C 146 179.432 179.432 177.101 2.331 19522 3124 1 5 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.566 -0.397 19522 3125 1 5 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.889 -1.026 19522 3126 1 5 . 1 1 146 146 PHE H H 146 7.985 7.985 8.256 -0.271 19522 3127 1 5 . 1 1 147 147 PHE N N 147 119.900 119.900 117.214 2.686 19522 3128 1 5 . 1 1 147 147 PHE C C 147 177.399 177.399 177.881 -0.482 19522 3129 1 5 . 1 1 147 147 PHE CA C 147 59.119 59.119 60.923 -1.804 19522 3130 1 5 . 1 1 147 147 PHE CB C 147 39.438 39.438 37.917 1.521 19522 3131 1 5 . 1 1 147 147 PHE H H 147 7.824 7.824 8.090 -0.266 19522 3132 1 5 . 1 1 148 148 SER N N 148 114.725 114.725 116.719 -1.994 19522 3133 1 5 . 1 1 148 148 SER C C 148 177.357 177.357 176.175 1.182 19522 3134 1 5 . 1 1 148 148 SER CA C 148 63.115 63.115 62.097 1.018 19522 3135 1 5 . 1 1 148 148 SER CB C 148 61.893 61.893 62.260 -0.366 19522 3136 1 5 . 1 1 148 148 SER H H 148 8.423 8.423 7.880 0.543 19522 3137 1 5 . 1 1 149 149 PHE N N 149 124.361 124.361 121.436 2.925 19522 3138 1 5 . 1 1 149 149 PHE C C 149 176.338 176.338 178.129 -1.791 19522 3139 1 5 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.528 -2.192 19522 3140 1 5 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.552 -1.271 19522 3141 1 5 . 1 1 149 149 PHE H H 149 9.097 9.097 8.357 0.740 19522 3142 1 5 . 1 1 150 150 GLY N N 150 105.935 105.935 105.920 0.015 19522 3143 1 5 . 1 1 150 150 GLY C C 150 176.398 176.398 176.152 0.246 19522 3144 1 5 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.709 0.321 19522 3145 1 5 . 1 1 150 150 GLY H H 150 7.937 7.937 7.967 -0.030 19522 3146 1 5 . 1 1 151 151 GLY N N 151 107.449 107.449 110.244 -2.795 19522 3147 1 5 . 1 1 151 151 GLY C C 151 174.300 174.300 175.859 -1.559 19522 3148 1 5 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.695 0.255 19522 3149 1 5 . 1 1 151 151 GLY H H 151 8.803 8.803 8.259 0.544 19522 3150 1 5 . 1 1 152 152 ALA N N 152 124.384 124.384 124.920 -0.536 19522 3151 1 5 . 1 1 152 152 ALA C C 152 177.636 177.636 179.307 -1.671 19522 3152 1 5 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.689 -0.547 19522 3153 1 5 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.358 -1.295 19522 3154 1 5 . 1 1 152 152 ALA H H 152 8.232 8.232 8.001 0.231 19522 3155 1 5 . 1 1 153 153 LEU N N 153 118.871 118.871 120.133 -1.262 19522 3156 1 5 . 1 1 153 153 LEU C C 153 179.937 179.937 178.698 1.239 19522 3157 1 5 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.792 -1.204 19522 3158 1 5 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.721 -1.061 19522 3159 1 5 . 1 1 153 153 LEU H H 153 8.159 8.159 7.874 0.285 19522 3160 1 5 . 1 1 154 154 CYS N N 154 118.554 118.554 118.738 -0.184 19522 3161 1 5 . 1 1 154 154 CYS C C 154 177.332 177.332 176.961 0.371 19522 3162 1 5 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.679 -2.383 19522 3163 1 5 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.016 -0.779 19522 3164 1 5 . 1 1 154 154 CYS H H 154 8.049 8.049 8.493 -0.444 19522 3165 1 5 . 1 1 155 155 VAL N N 155 118.474 118.474 122.189 -3.715 19522 3166 1 5 . 1 1 155 155 VAL C C 155 175.723 175.723 178.470 -2.747 19522 3167 1 5 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.083 -0.954 19522 3168 1 5 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.798 -0.070 19522 3169 1 5 . 1 1 155 155 VAL H H 155 8.016 8.016 7.507 0.509 19522 3170 1 5 . 1 1 156 156 GLU N N 156 119.114 119.114 118.477 0.637 19522 3171 1 5 . 1 1 156 156 GLU C C 156 178.036 178.036 179.017 -0.981 19522 3172 1 5 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.161 3.117 19522 3173 1 5 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.930 -1.478 19522 3174 1 5 . 1 1 156 156 GLU H H 156 8.025 8.025 7.963 0.062 19522 3175 1 5 . 1 1 157 157 SER N N 157 113.391 113.391 116.542 -3.151 19522 3176 1 5 . 1 1 157 157 SER C C 157 175.299 175.299 176.229 -0.930 19522 3177 1 5 . 1 1 157 157 SER CA C 157 62.373 62.373 62.338 0.035 19522 3178 1 5 . 1 1 157 157 SER CB C 157 60.854 60.854 63.227 -2.373 19522 3179 1 5 . 1 1 157 157 SER H H 157 7.629 7.629 7.918 -0.289 19522 3180 1 5 . 1 1 158 158 VAL N N 158 120.493 120.493 121.219 -0.726 19522 3181 1 5 . 1 1 158 158 VAL C C 158 173.977 173.977 177.527 -3.550 19522 3182 1 5 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.562 1.167 19522 3183 1 5 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.033 -1.424 19522 3184 1 5 . 1 1 158 158 VAL H H 158 7.374 7.374 7.618 -0.244 19522 3185 1 5 . 1 1 159 159 ASP N N 159 123.215 123.215 121.802 1.413 19522 3186 1 5 . 1 1 159 159 ASP C C 159 177.696 177.696 177.649 0.047 19522 3187 1 5 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.665 -0.046 19522 3188 1 5 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.972 -1.054 19522 3189 1 5 . 1 1 159 159 ASP H H 159 8.309 8.309 8.244 0.065 19522 3190 1 5 . 1 1 160 160 LYS N N 160 115.648 115.648 117.943 -2.295 19522 3191 1 5 . 1 1 160 160 LYS C C 160 174.839 174.839 175.552 -0.713 19522 3192 1 5 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.778 -0.677 19522 3193 1 5 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.009 -2.521 19522 3194 1 5 . 1 1 160 160 LYS H H 160 7.541 7.541 7.494 0.047 19522 3195 1 5 . 1 1 161 161 GLU N N 161 113.911 113.911 118.216 -4.305 19522 3196 1 5 . 1 1 161 161 GLU C C 161 175.781 175.781 176.609 -0.828 19522 3197 1 5 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.129 -1.350 19522 3198 1 5 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.186 -3.132 19522 3199 1 5 . 1 1 161 161 GLU H H 161 7.842 7.842 7.898 -0.056 19522 3200 1 5 . 1 1 162 162 MET N N 162 118.882 118.882 116.615 2.267 19522 3201 1 5 . 1 1 162 162 MET C C 162 176.597 176.597 177.241 -0.644 19522 3202 1 5 . 1 1 162 162 MET CA C 162 52.646 52.646 57.378 -4.732 19522 3203 1 5 . 1 1 162 162 MET CB C 162 30.488 30.488 33.762 -3.274 19522 3204 1 5 . 1 1 162 162 MET H H 162 8.420 8.420 8.741 -0.321 19522 3205 1 5 . 1 1 163 163 GLN N N 163 119.366 119.366 117.611 1.755 19522 3206 1 5 . 1 1 163 163 GLN C C 163 177.397 177.397 176.901 0.496 19522 3207 1 5 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.543 0.633 19522 3208 1 5 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.142 -1.049 19522 3209 1 5 . 1 1 163 163 GLN H H 163 8.615 8.615 8.057 0.558 19522 3210 1 5 . 1 1 164 164 VAL N N 164 116.957 116.957 120.592 -3.635 19522 3211 1 5 . 1 1 164 164 VAL C C 164 175.459 175.459 177.626 -2.167 19522 3212 1 5 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.736 -2.884 19522 3213 1 5 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.386 -1.297 19522 3214 1 5 . 1 1 164 164 VAL H H 164 7.938 7.938 8.002 -0.064 19522 3215 1 5 . 1 1 165 165 LEU N N 165 117.124 117.124 119.037 -1.913 19522 3216 1 5 . 1 1 165 165 LEU C C 165 177.714 177.714 178.307 -0.593 19522 3217 1 5 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.029 -2.346 19522 3218 1 5 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.946 -2.268 19522 3219 1 5 . 1 1 165 165 LEU H H 165 7.741 7.741 7.696 0.045 19522 3220 1 5 . 1 1 166 166 VAL N N 166 119.434 119.434 118.292 1.142 19522 3221 1 5 . 1 1 166 166 VAL C C 166 176.817 176.817 177.990 -1.173 19522 3222 1 5 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.502 1.346 19522 3223 1 5 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.140 -1.770 19522 3224 1 5 . 1 1 166 166 VAL H H 166 7.342 7.342 7.839 -0.497 19522 3225 1 5 . 1 1 167 167 SER N N 167 110.775 110.775 115.856 -5.081 19522 3226 1 5 . 1 1 167 167 SER C C 167 176.737 176.737 176.332 0.405 19522 3227 1 5 . 1 1 167 167 SER CA C 167 60.215 60.215 61.732 -1.517 19522 3228 1 5 . 1 1 167 167 SER CB C 167 61.654 61.654 62.525 -0.871 19522 3229 1 5 . 1 1 167 167 SER H H 167 8.099 8.099 8.631 -0.532 19522 3230 1 5 . 1 1 168 168 ARG N N 168 122.916 122.916 119.787 3.129 19522 3231 1 5 . 1 1 168 168 ARG C C 168 175.439 175.439 177.436 -1.997 19522 3232 1 5 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.733 3.882 19522 3233 1 5 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.372 -2.361 19522 3234 1 5 . 1 1 168 168 ARG H H 168 6.596 6.596 7.430 -0.834 19522 3235 1 5 . 1 1 169 169 ILE N N 169 118.335 118.335 120.979 -2.644 19522 3236 1 5 . 1 1 169 169 ILE C C 169 177.779 177.779 177.607 0.172 19522 3237 1 5 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.529 -1.398 19522 3238 1 5 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.711 -0.750 19522 3239 1 5 . 1 1 169 169 ILE H H 169 7.928 7.928 7.670 0.258 19522 3240 1 5 . 1 1 170 170 ALA N N 170 119.271 119.271 121.348 -2.077 19522 3241 1 5 . 1 1 170 170 ALA C C 170 179.195 179.195 179.116 0.079 19522 3242 1 5 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.538 -1.636 19522 3243 1 5 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.798 -0.974 19522 3244 1 5 . 1 1 170 170 ALA H H 170 7.672 7.672 7.963 -0.291 19522 3245 1 5 . 1 1 171 171 ALA N N 171 120.393 120.393 121.906 -1.513 19522 3246 1 5 . 1 1 171 171 ALA C C 171 180.833 180.833 179.668 1.165 19522 3247 1 5 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.438 -0.296 19522 3248 1 5 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.678 -1.174 19522 3249 1 5 . 1 1 171 171 ALA H H 171 7.258 7.258 7.107 0.151 19522 3250 1 5 . 1 1 172 172 TRP N N 172 121.501 121.501 118.414 3.087 19522 3251 1 5 . 1 1 172 172 TRP C C 172 179.350 179.350 178.538 0.812 19522 3252 1 5 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.665 -1.646 19522 3253 1 5 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.689 -1.397 19522 3254 1 5 . 1 1 172 172 TRP H H 172 8.936 8.936 7.362 1.574 19522 3255 1 5 . 1 1 173 173 MET N N 173 117.211 117.211 120.108 -2.897 19522 3256 1 5 . 1 1 173 173 MET C C 173 176.158 176.158 178.303 -2.145 19522 3257 1 5 . 1 1 173 173 MET CA C 173 60.238 60.238 59.320 0.918 19522 3258 1 5 . 1 1 173 173 MET CB C 173 28.833 28.833 32.949 -4.116 19522 3259 1 5 . 1 1 173 173 MET H H 173 8.885 8.885 8.703 0.182 19522 3260 1 5 . 1 1 174 174 ALA N N 174 120.901 120.901 120.678 0.223 19522 3261 1 5 . 1 1 174 174 ALA C C 174 178.875 178.875 179.567 -0.692 19522 3262 1 5 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.480 -0.619 19522 3263 1 5 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.055 -1.368 19522 3264 1 5 . 1 1 174 174 ALA H H 174 8.206 8.206 8.252 -0.046 19522 3265 1 5 . 1 1 175 175 THR N N 175 116.591 116.591 117.470 -0.879 19522 3266 1 5 . 1 1 175 175 THR C C 175 174.782 174.782 176.690 -1.908 19522 3267 1 5 . 1 1 175 175 THR CA C 175 66.209 66.209 67.137 -0.928 19522 3268 1 5 . 1 1 175 175 THR CB C 175 68.046 68.046 68.701 -0.655 19522 3269 1 5 . 1 1 175 175 THR H H 175 8.530 8.530 7.902 0.628 19522 3270 1 5 . 1 1 176 176 TYR N N 176 123.375 123.375 122.820 0.555 19522 3271 1 5 . 1 1 176 176 TYR C C 176 179.255 179.255 177.275 1.980 19522 3272 1 5 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.880 1.493 19522 3273 1 5 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.805 -0.942 19522 3274 1 5 . 1 1 176 176 TYR H H 176 8.822 8.822 8.428 0.394 19522 3275 1 5 . 1 1 177 177 LEU N N 177 119.511 119.511 122.089 -2.578 19522 3276 1 5 . 1 1 177 177 LEU C C 177 177.979 177.979 178.303 -0.324 19522 3277 1 5 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.429 0.028 19522 3278 1 5 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.754 -0.478 19522 3279 1 5 . 1 1 177 177 LEU H H 177 8.759 8.759 8.614 0.145 19522 3280 1 5 . 1 1 178 178 ASN N N 178 117.233 117.233 116.573 0.660 19522 3281 1 5 . 1 1 178 178 ASN C C 178 176.021 176.021 176.807 -0.786 19522 3282 1 5 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.155 -0.312 19522 3283 1 5 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.441 -0.338 19522 3284 1 5 . 1 1 178 178 ASN H H 178 8.333 8.333 7.920 0.413 19522 3285 1 5 . 1 1 179 179 ASP N N 179 115.264 115.264 118.942 -3.678 19522 3286 1 5 . 1 1 179 179 ASP C C 179 177.557 177.557 176.940 0.617 19522 3287 1 5 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.520 -0.620 19522 3288 1 5 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.380 -2.101 19522 3289 1 5 . 1 1 179 179 ASP H H 179 8.451 8.451 7.820 0.631 19522 3290 1 5 . 1 1 180 180 HIS N N 180 111.728 111.728 115.976 -4.248 19522 3291 1 5 . 1 1 180 180 HIS C C 180 175.479 175.479 176.702 -1.223 19522 3292 1 5 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.940 -1.519 19522 3293 1 5 . 1 1 180 180 HIS CB C 180 29.609 29.609 31.973 -2.364 19522 3294 1 5 . 1 1 180 180 HIS H H 180 8.073 8.073 7.855 0.218 19522 3295 1 5 . 1 1 181 181 LEU N N 181 116.833 116.833 121.430 -4.597 19522 3296 1 5 . 1 1 181 181 LEU C C 181 176.160 176.160 178.708 -2.548 19522 3297 1 5 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.725 -3.704 19522 3298 1 5 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.839 -0.083 19522 3299 1 5 . 1 1 181 181 LEU H H 181 7.183 7.183 7.568 -0.385 19522 3300 1 5 . 1 1 182 182 GLU N N 182 121.364 121.364 118.327 3.037 19522 3301 1 5 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.638 -0.624 19522 3302 1 5 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.650 -1.694 19522 3303 1 5 . 1 1 182 182 GLU H H 182 8.596 8.596 8.822 -0.226 19522 3304 1 5 . 1 1 184 184 TRP N N 184 117.804 117.804 119.799 -1.995 19522 3305 1 5 . 1 1 184 184 TRP C C 184 179.217 179.217 177.908 1.309 19522 3306 1 5 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.562 6.110 19522 3307 1 5 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.172 -1.099 19522 3308 1 5 . 1 1 184 184 TRP H H 184 7.070 7.070 7.862 -0.792 19522 3309 1 5 . 1 1 185 185 ILE N N 185 121.825 121.825 119.343 2.482 19522 3310 1 5 . 1 1 185 185 ILE C C 185 178.655 178.655 178.285 0.370 19522 3311 1 5 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.054 0.218 19522 3312 1 5 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.942 -1.997 19522 3313 1 5 . 1 1 185 185 ILE H H 185 8.396 8.396 8.527 -0.131 19522 3314 1 5 . 1 1 186 186 GLN N N 186 116.489 116.489 115.955 0.534 19522 3315 1 5 . 1 1 186 186 GLN C C 186 179.035 179.035 176.529 2.506 19522 3316 1 5 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.719 1.099 19522 3317 1 5 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.769 -0.956 19522 3318 1 5 . 1 1 186 186 GLN H H 186 8.374 8.374 7.745 0.629 19522 3319 1 5 . 1 1 187 187 GLU N N 187 118.764 118.764 119.848 -1.084 19522 3320 1 5 . 1 1 187 187 GLU C C 187 176.458 176.458 177.241 -0.783 19522 3321 1 5 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.134 -0.115 19522 3322 1 5 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.615 -2.204 19522 3323 1 5 . 1 1 187 187 GLU H H 187 7.515 7.515 7.716 -0.201 19522 3324 1 5 . 1 1 188 188 ASN N N 188 116.561 116.561 115.743 0.818 19522 3325 1 5 . 1 1 188 188 ASN C C 188 173.620 173.620 174.663 -1.043 19522 3326 1 5 . 1 1 188 188 ASN CA C 188 52.863 52.863 52.826 0.037 19522 3327 1 5 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.519 -3.798 19522 3328 1 5 . 1 1 188 188 ASN H H 188 7.092 7.092 7.634 -0.542 19522 3329 1 5 . 1 1 189 189 GLY N N 189 104.897 104.897 104.721 0.176 19522 3330 1 5 . 1 1 189 189 GLY C C 189 175.658 175.658 172.788 2.870 19522 3331 1 5 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.534 0.258 19522 3332 1 5 . 1 1 189 189 GLY H H 189 7.339 7.339 7.332 0.007 19522 3333 1 5 . 1 1 190 190 GLY N N 190 108.292 108.292 109.295 -1.003 19522 3334 1 5 . 1 1 190 190 GLY C C 190 173.021 173.021 174.693 -1.672 19522 3335 1 5 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.044 -1.690 19522 3336 1 5 . 1 1 190 190 GLY H H 190 8.462 8.462 9.467 -1.005 19522 3337 1 5 . 1 1 191 191 TRP N N 191 118.031 118.031 121.377 -3.346 19522 3338 1 5 . 1 1 191 191 TRP C C 191 178.136 178.136 177.196 0.940 19522 3339 1 5 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.355 -0.939 19522 3340 1 5 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.055 -0.405 19522 3341 1 5 . 1 1 191 191 TRP H H 191 8.673 8.673 8.458 0.215 19522 3342 1 5 . 1 1 192 192 ASP N N 192 117.298 117.298 118.807 -1.509 19522 3343 1 5 . 1 1 192 192 ASP C C 192 179.058 179.058 177.709 1.349 19522 3344 1 5 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.339 0.520 19522 3345 1 5 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.789 -0.510 19522 3346 1 5 . 1 1 192 192 ASP H H 192 8.846 8.846 7.968 0.878 19522 3347 1 5 . 1 1 193 193 THR N N 193 116.061 116.061 114.583 1.478 19522 3348 1 5 . 1 1 193 193 THR C C 193 174.979 174.979 176.122 -1.143 19522 3349 1 5 . 1 1 193 193 THR CA C 193 65.649 65.649 64.513 1.136 19522 3350 1 5 . 1 1 193 193 THR CB C 193 67.327 67.327 68.412 -1.085 19522 3351 1 5 . 1 1 193 193 THR H H 193 7.431 7.431 7.492 -0.061 19522 3352 1 5 . 1 1 194 194 PHE N N 194 121.789 121.789 122.921 -1.132 19522 3353 1 5 . 1 1 194 194 PHE C C 194 176.418 176.418 177.501 -1.083 19522 3354 1 5 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.049 -0.035 19522 3355 1 5 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.282 -2.401 19522 3356 1 5 . 1 1 194 194 PHE H H 194 6.527 6.527 8.245 -1.718 19522 3357 1 5 . 1 1 195 195 VAL N N 195 116.988 116.988 118.843 -1.855 19522 3358 1 5 . 1 1 195 195 VAL C C 195 178.078 178.078 177.833 0.245 19522 3359 1 5 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.257 -0.505 19522 3360 1 5 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.568 -0.080 19522 3361 1 5 . 1 1 195 195 VAL H H 195 7.747 7.747 8.336 -0.589 19522 3362 1 5 . 1 1 196 196 GLU N N 196 120.171 120.171 119.021 1.150 19522 3363 1 5 . 1 1 196 196 GLU C C 196 177.976 177.976 177.894 0.082 19522 3364 1 5 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.241 -0.921 19522 3365 1 5 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.224 -0.551 19522 3366 1 5 . 1 1 196 196 GLU H H 196 7.497 7.497 7.927 -0.430 19522 3367 1 5 . 1 1 197 197 LEU N N 197 117.210 117.210 113.257 3.953 19522 3368 1 5 . 1 1 197 197 LEU C C 197 178.376 178.376 176.678 1.698 19522 3369 1 5 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.182 0.718 19522 3370 1 5 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.972 0.423 19522 3371 1 5 . 1 1 197 197 LEU H H 197 7.626 7.626 7.358 0.268 19522 3372 1 5 . 1 1 198 198 TYR N N 198 115.681 115.681 120.228 -4.547 19522 3373 1 5 . 1 1 198 198 TYR C C 198 176.577 176.577 176.495 0.082 19522 3374 1 5 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.145 -0.768 19522 3375 1 5 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.166 -2.645 19522 3376 1 5 . 1 1 198 198 TYR H H 198 8.081 8.081 7.671 0.410 19522 3377 1 5 . 1 1 199 199 GLY N N 199 108.201 108.201 105.975 2.226 19522 3378 1 5 . 1 1 199 199 GLY C C 199 173.640 173.640 175.006 -1.366 19522 3379 1 5 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.285 -0.732 19522 3380 1 5 . 1 1 199 199 GLY H H 199 8.032 8.032 8.240 -0.208 19522 3381 1 5 . 1 1 200 200 ASN N N 200 118.385 118.385 118.898 -0.513 19522 3382 1 5 . 1 1 200 200 ASN C C 200 175.081 175.081 173.977 1.104 19522 3383 1 5 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.795 -0.011 19522 3384 1 5 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.529 -2.087 19522 3385 1 5 . 1 1 200 200 ASN H H 200 8.300 8.300 8.218 0.082 19522 3386 1 6 . 1 1 5 5 SER N N 5 116.171 116.171 120.724 -4.553 19522 3387 1 6 . 1 1 5 5 SER C C 5 174.320 174.320 174.558 -0.238 19522 3388 1 6 . 1 1 5 5 SER CA C 5 57.898 57.898 58.455 -0.557 19522 3389 1 6 . 1 1 5 5 SER CB C 5 62.533 62.533 63.650 -1.117 19522 3390 1 6 . 1 1 5 5 SER H H 5 8.224 8.224 8.687 -0.463 19522 3391 1 6 . 1 1 6 6 GLN N N 6 122.369 122.369 118.377 3.992 19522 3392 1 6 . 1 1 6 6 GLN C C 6 176.418 176.418 176.007 0.411 19522 3393 1 6 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.000 -0.100 19522 3394 1 6 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.648 1.162 19522 3395 1 6 . 1 1 6 6 GLN H H 6 8.337 8.337 8.546 -0.209 19522 3396 1 6 . 1 1 7 7 SER N N 7 116.584 116.584 114.793 1.791 19522 3397 1 6 . 1 1 7 7 SER C C 7 175.859 175.859 176.227 -0.368 19522 3398 1 6 . 1 1 7 7 SER CA C 7 56.260 56.260 60.766 -4.506 19522 3399 1 6 . 1 1 7 7 SER CB C 7 61.916 61.916 62.870 -0.954 19522 3400 1 6 . 1 1 7 7 SER H H 7 8.221 8.221 8.802 -0.581 19522 3401 1 6 . 1 1 8 8 ASN N N 8 119.373 119.373 121.155 -1.782 19522 3402 1 6 . 1 1 8 8 ASN C C 8 177.259 177.259 177.275 -0.016 19522 3403 1 6 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.974 -2.767 19522 3404 1 6 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.341 -1.677 19522 3405 1 6 . 1 1 8 8 ASN H H 8 8.375 8.375 7.944 0.431 19522 3406 1 6 . 1 1 9 9 ARG N N 9 119.039 119.039 121.377 -2.338 19522 3407 1 6 . 1 1 9 9 ARG C C 9 176.977 176.977 178.492 -1.515 19522 3408 1 6 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.248 -1.242 19522 3409 1 6 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.251 1.059 19522 3410 1 6 . 1 1 9 9 ARG H H 9 7.815 7.815 8.770 -0.955 19522 3411 1 6 . 1 1 10 10 GLU N N 10 117.158 117.158 119.953 -2.795 19522 3412 1 6 . 1 1 10 10 GLU C C 10 179.475 179.475 179.156 0.319 19522 3413 1 6 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.461 -3.964 19522 3414 1 6 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.147 -0.154 19522 3415 1 6 . 1 1 10 10 GLU H H 10 7.949 7.949 8.386 -0.437 19522 3416 1 6 . 1 1 11 11 LEU N N 11 119.880 119.880 120.334 -0.454 19522 3417 1 6 . 1 1 11 11 LEU C C 11 178.096 178.096 179.000 -0.904 19522 3418 1 6 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.924 -0.723 19522 3419 1 6 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.349 -1.431 19522 3420 1 6 . 1 1 11 11 LEU H H 11 7.807 7.807 7.644 0.163 19522 3421 1 6 . 1 1 12 12 VAL N N 12 117.702 117.702 119.578 -1.876 19522 3422 1 6 . 1 1 12 12 VAL C C 12 176.377 176.377 178.513 -2.136 19522 3423 1 6 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.101 -0.013 19522 3424 1 6 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.218 -0.249 19522 3425 1 6 . 1 1 12 12 VAL H H 12 7.690 7.690 7.986 -0.296 19522 3426 1 6 . 1 1 13 13 VAL N N 13 116.258 116.258 115.806 0.452 19522 3427 1 6 . 1 1 13 13 VAL C C 13 178.416 178.416 177.430 0.986 19522 3428 1 6 . 1 1 13 13 VAL CA C 13 65.912 65.912 66.123 -0.211 19522 3429 1 6 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.646 -2.053 19522 3430 1 6 . 1 1 13 13 VAL H H 13 8.225 8.225 8.083 0.142 19522 3431 1 6 . 1 1 14 14 ASP N N 14 120.362 120.362 122.426 -2.064 19522 3432 1 6 . 1 1 14 14 ASP C C 14 177.040 177.040 177.881 -0.841 19522 3433 1 6 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.689 0.289 19522 3434 1 6 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.036 1.222 19522 3435 1 6 . 1 1 14 14 ASP H H 14 7.967 7.967 8.030 -0.063 19522 3436 1 6 . 1 1 15 15 PHE N N 15 119.747 119.747 121.119 -1.372 19522 3437 1 6 . 1 1 15 15 PHE C C 15 177.876 177.876 177.539 0.337 19522 3438 1 6 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.350 1.125 19522 3439 1 6 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.120 -0.538 19522 3440 1 6 . 1 1 15 15 PHE H H 15 8.308 8.308 8.237 0.071 19522 3441 1 6 . 1 1 16 16 LEU N N 16 116.203 116.203 119.823 -3.620 19522 3442 1 6 . 1 1 16 16 LEU C C 16 175.618 175.618 178.484 -2.866 19522 3443 1 6 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.292 -0.714 19522 3444 1 6 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.859 -1.519 19522 3445 1 6 . 1 1 16 16 LEU H H 16 8.718 8.718 8.041 0.677 19522 3446 1 6 . 1 1 17 17 SER N N 17 113.607 113.607 115.436 -1.829 19522 3447 1 6 . 1 1 17 17 SER C C 17 176.980 176.980 176.407 0.573 19522 3448 1 6 . 1 1 17 17 SER CA C 17 62.150 62.150 62.224 -0.074 19522 3449 1 6 . 1 1 17 17 SER CB C 17 60.854 60.854 62.852 -1.998 19522 3450 1 6 . 1 1 17 17 SER H H 17 8.338 8.338 8.089 0.249 19522 3451 1 6 . 1 1 18 18 TYR N N 18 124.591 124.591 122.871 1.720 19522 3452 1 6 . 1 1 18 18 TYR C C 18 177.996 177.996 177.785 0.211 19522 3453 1 6 . 1 1 18 18 TYR CA C 18 59.279 59.279 61.235 -1.956 19522 3454 1 6 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.348 -2.003 19522 3455 1 6 . 1 1 18 18 TYR H H 18 8.228 8.228 8.359 -0.131 19522 3456 1 6 . 1 1 19 19 LYS N N 19 119.761 119.761 119.488 0.273 19522 3457 1 6 . 1 1 19 19 LYS C C 19 179.841 179.841 178.636 1.205 19522 3458 1 6 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.914 -1.831 19522 3459 1 6 . 1 1 19 19 LYS CB C 19 28.650 28.650 31.932 -3.282 19522 3460 1 6 . 1 1 19 19 LYS H H 19 8.230 8.230 7.620 0.610 19522 3461 1 6 . 1 1 20 20 LEU N N 20 118.077 118.077 118.312 -0.235 19522 3462 1 6 . 1 1 20 20 LEU C C 20 179.654 179.654 176.498 3.156 19522 3463 1 6 . 1 1 20 20 LEU CA C 20 57.978 57.978 55.935 2.043 19522 3464 1 6 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.763 -2.325 19522 3465 1 6 . 1 1 20 20 LEU H H 20 8.534 8.534 7.657 0.877 19522 3466 1 6 . 1 1 21 21 SER N N 21 117.073 117.073 111.689 5.384 19522 3467 1 6 . 1 1 21 21 SER C C 21 178.204 178.204 173.977 4.227 19522 3468 1 6 . 1 1 21 21 SER CA C 21 60.375 60.375 57.621 2.754 19522 3469 1 6 . 1 1 21 21 SER CB C 21 61.836 61.836 62.578 -0.743 19522 3470 1 6 . 1 1 21 21 SER H H 21 8.239 8.239 7.087 1.152 19522 3471 1 6 . 1 1 22 22 GLN N N 22 122.767 122.767 120.641 2.126 19522 3472 1 6 . 1 1 22 22 GLN C C 22 176.997 176.997 175.590 1.407 19522 3473 1 6 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.248 0.330 19522 3474 1 6 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.856 -2.724 19522 3475 1 6 . 1 1 22 22 GLN H H 22 7.632 7.632 7.522 0.110 19522 3476 1 6 . 1 1 23 23 LYS N N 23 116.016 116.016 117.033 -1.017 19522 3477 1 6 . 1 1 23 23 LYS C C 23 175.419 175.419 174.643 0.776 19522 3478 1 6 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.291 -3.349 19522 3479 1 6 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.716 -2.668 19522 3480 1 6 . 1 1 23 23 LYS H H 23 7.167 7.167 8.313 -1.146 19522 3481 1 6 . 1 1 24 24 GLY N N 24 105.329 105.329 110.437 -5.108 19522 3482 1 6 . 1 1 24 24 GLY C C 24 173.680 173.680 172.163 1.517 19522 3483 1 6 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.716 -0.403 19522 3484 1 6 . 1 1 24 24 GLY H H 24 7.504 7.504 7.961 -0.457 19522 3485 1 6 . 1 1 25 25 TYR N N 25 119.528 119.528 115.130 4.398 19522 3486 1 6 . 1 1 25 25 TYR C C 25 174.779 174.779 174.246 0.533 19522 3487 1 6 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.414 2.347 19522 3488 1 6 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.996 0.305 19522 3489 1 6 . 1 1 25 25 TYR H H 25 7.817 7.817 7.029 0.788 19522 3490 1 6 . 1 1 26 26 SER N N 26 115.815 115.815 122.074 -6.259 19522 3491 1 6 . 1 1 26 26 SER C C 26 173.860 173.860 175.954 -2.094 19522 3492 1 6 . 1 1 26 26 SER CA C 26 56.083 56.083 57.716 -1.633 19522 3493 1 6 . 1 1 26 26 SER CB C 26 63.275 63.275 63.471 -0.196 19522 3494 1 6 . 1 1 26 26 SER H H 26 8.475 8.475 8.294 0.181 19522 3495 1 6 . 1 1 27 27 TRP N N 27 126.476 126.476 121.580 4.896 19522 3496 1 6 . 1 1 27 27 TRP C C 27 174.141 174.141 177.323 -3.182 19522 3497 1 6 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.422 -0.022 19522 3498 1 6 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.053 0.157 19522 3499 1 6 . 1 1 27 27 TRP H H 27 8.720 8.720 7.811 0.909 19522 3500 1 6 . 1 1 28 28 SER N N 28 114.011 114.011 114.369 -0.358 19522 3501 1 6 . 1 1 28 28 SER C C 28 172.859 172.859 175.346 -2.487 19522 3502 1 6 . 1 1 28 28 SER CA C 28 66.186 66.186 60.240 5.946 19522 3503 1 6 . 1 1 28 28 SER CB C 28 61.996 61.996 62.421 -0.425 19522 3504 1 6 . 1 1 28 28 SER H H 28 8.034 8.034 7.712 0.322 19522 3505 1 6 . 1 1 29 29 GLN N N 29 120.138 120.138 120.156 -0.018 19522 3506 1 6 . 1 1 29 29 GLN C C 29 177.250 177.250 177.108 0.142 19522 3507 1 6 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.780 -2.610 19522 3508 1 6 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.215 -0.876 19522 3509 1 6 . 1 1 29 29 GLN H H 29 7.323 7.323 7.390 -0.067 19522 3510 1 6 . 1 1 30 30 PHE N N 30 113.775 113.775 118.649 -4.874 19522 3511 1 6 . 1 1 30 30 PHE C C 30 176.814 176.814 176.464 0.350 19522 3512 1 6 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.643 -3.480 19522 3513 1 6 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.498 -1.658 19522 3514 1 6 . 1 1 30 30 PHE H H 30 6.778 6.778 7.611 -0.833 19522 3515 1 6 . 1 1 87 87 ALA N N 87 124.732 124.732 124.858 -0.126 19522 3516 1 6 . 1 1 87 87 ALA C C 87 175.941 175.941 176.912 -0.971 19522 3517 1 6 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.261 -2.411 19522 3518 1 6 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.391 -1.825 19522 3519 1 6 . 1 1 87 87 ALA H H 87 8.079 8.079 8.923 -0.844 19522 3520 1 6 . 1 1 88 88 ALA N N 88 121.664 121.664 120.419 1.245 19522 3521 1 6 . 1 1 88 88 ALA C C 88 177.523 177.523 177.721 -0.198 19522 3522 1 6 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.204 3.947 19522 3523 1 6 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.036 0.427 19522 3524 1 6 . 1 1 88 88 ALA H H 88 7.951 7.951 7.667 0.284 19522 3525 1 6 . 1 1 89 89 VAL N N 89 119.415 119.415 118.748 0.667 19522 3526 1 6 . 1 1 89 89 VAL C C 89 176.857 176.857 176.639 0.218 19522 3527 1 6 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.164 -4.328 19522 3528 1 6 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.535 -0.464 19522 3529 1 6 . 1 1 89 89 VAL H H 89 8.161 8.161 8.438 -0.277 19522 3530 1 6 . 1 1 90 90 LYS N N 90 121.221 121.221 119.203 2.018 19522 3531 1 6 . 1 1 90 90 LYS C C 90 175.559 175.559 178.376 -2.817 19522 3532 1 6 . 1 1 90 90 LYS CA C 90 56.083 56.083 60.005 -3.922 19522 3533 1 6 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.867 -2.954 19522 3534 1 6 . 1 1 90 90 LYS H H 90 8.529 8.529 8.138 0.391 19522 3535 1 6 . 1 1 91 91 GLN N N 91 115.879 115.879 118.345 -2.466 19522 3536 1 6 . 1 1 91 91 GLN C C 91 176.950 176.950 178.119 -1.169 19522 3537 1 6 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.281 -0.360 19522 3538 1 6 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.015 -0.780 19522 3539 1 6 . 1 1 91 91 GLN H H 91 7.973 7.973 7.765 0.208 19522 3540 1 6 . 1 1 92 92 ALA N N 92 119.538 119.538 123.670 -4.132 19522 3541 1 6 . 1 1 92 92 ALA C C 92 179.537 179.537 179.836 -0.299 19522 3542 1 6 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.409 -1.164 19522 3543 1 6 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.365 -1.598 19522 3544 1 6 . 1 1 92 92 ALA H H 92 7.661 7.661 8.400 -0.739 19522 3545 1 6 . 1 1 93 93 LEU N N 93 120.236 120.236 119.123 1.113 19522 3546 1 6 . 1 1 93 93 LEU C C 93 179.075 179.075 179.058 0.017 19522 3547 1 6 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.315 0.472 19522 3548 1 6 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.517 0.040 19522 3549 1 6 . 1 1 93 93 LEU H H 93 8.544 8.544 8.405 0.139 19522 3550 1 6 . 1 1 94 94 ARG N N 94 118.361 118.361 120.293 -1.932 19522 3551 1 6 . 1 1 94 94 ARG C C 94 178.396 178.396 178.412 -0.016 19522 3552 1 6 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.807 -0.071 19522 3553 1 6 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.591 -1.500 19522 3554 1 6 . 1 1 94 94 ARG H H 94 8.057 8.057 8.157 -0.100 19522 3555 1 6 . 1 1 95 95 GLU N N 95 115.851 115.851 119.036 -3.185 19522 3556 1 6 . 1 1 95 95 GLU C C 95 179.794 179.794 179.044 0.750 19522 3557 1 6 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.785 -1.568 19522 3558 1 6 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.387 -1.296 19522 3559 1 6 . 1 1 95 95 GLU H H 95 7.737 7.737 8.223 -0.486 19522 3560 1 6 . 1 1 96 96 ALA N N 96 122.958 122.958 121.017 1.941 19522 3561 1 6 . 1 1 96 96 ALA C C 96 181.313 181.313 180.072 1.241 19522 3562 1 6 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.983 -0.681 19522 3563 1 6 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.371 -0.668 19522 3564 1 6 . 1 1 96 96 ALA H H 96 8.824 8.824 7.660 1.164 19522 3565 1 6 . 1 1 97 97 GLY N N 97 108.363 108.363 107.321 1.042 19522 3566 1 6 . 1 1 97 97 GLY C C 97 178.177 178.177 176.329 1.848 19522 3567 1 6 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.466 -1.475 19522 3568 1 6 . 1 1 97 97 GLY H H 97 9.088 9.088 8.642 0.446 19522 3569 1 6 . 1 1 98 98 ASP N N 98 122.197 122.197 122.349 -0.152 19522 3570 1 6 . 1 1 98 98 ASP C C 98 178.715 178.715 178.971 -0.256 19522 3571 1 6 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.688 -0.669 19522 3572 1 6 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.818 -2.339 19522 3573 1 6 . 1 1 98 98 ASP H H 98 8.102 8.102 8.627 -0.525 19522 3574 1 6 . 1 1 99 99 GLU N N 99 120.103 120.103 119.370 0.733 19522 3575 1 6 . 1 1 99 99 GLU C C 99 179.513 179.513 179.062 0.451 19522 3576 1 6 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.136 -5.384 19522 3577 1 6 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.740 -1.249 19522 3578 1 6 . 1 1 99 99 GLU H H 99 8.115 8.115 7.863 0.252 19522 3579 1 6 . 1 1 100 100 PHE N N 100 120.218 120.218 119.301 0.917 19522 3580 1 6 . 1 1 100 100 PHE C C 100 178.618 178.618 177.625 0.993 19522 3581 1 6 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.248 -3.788 19522 3582 1 6 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.854 0.482 19522 3583 1 6 . 1 1 100 100 PHE H H 100 8.535 8.535 8.133 0.402 19522 3584 1 6 . 1 1 101 101 GLU N N 101 117.531 117.531 121.173 -3.642 19522 3585 1 6 . 1 1 101 101 GLU C C 101 177.339 177.339 179.086 -1.747 19522 3586 1 6 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.205 -2.604 19522 3587 1 6 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.867 -1.274 19522 3588 1 6 . 1 1 101 101 GLU H H 101 8.032 8.032 8.594 -0.562 19522 3589 1 6 . 1 1 102 102 LEU N N 102 116.641 116.641 116.505 0.136 19522 3590 1 6 . 1 1 102 102 LEU CA C 102 56.588 56.588 58.033 -1.445 19522 3591 1 6 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.668 -0.895 19522 3592 1 6 . 1 1 102 102 LEU H H 102 7.369 7.369 7.749 -0.380 19522 3593 1 6 . 1 1 103 103 ARG N N 103 115.854 115.854 118.762 -2.908 19522 3594 1 6 . 1 1 103 103 ARG C C 103 177.605 177.605 178.051 -0.446 19522 3595 1 6 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.677 0.310 19522 3596 1 6 . 1 1 103 103 ARG CB C 103 31.150 31.150 30.878 0.272 19522 3597 1 6 . 1 1 103 103 ARG H H 103 7.472 7.472 7.747 -0.275 19522 3598 1 6 . 1 1 104 104 TYR N N 104 119.078 119.078 118.993 0.085 19522 3599 1 6 . 1 1 104 104 TYR C C 104 174.962 174.962 177.264 -2.302 19522 3600 1 6 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.166 -0.325 19522 3601 1 6 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.634 -2.006 19522 3602 1 6 . 1 1 104 104 TYR H H 104 7.904 7.904 7.606 0.298 19522 3603 1 6 . 1 1 105 105 ARG N N 105 119.378 119.378 118.712 0.666 19522 3604 1 6 . 1 1 105 105 ARG C C 105 178.395 178.395 177.026 1.369 19522 3605 1 6 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.957 0.964 19522 3606 1 6 . 1 1 105 105 ARG CB C 105 27.794 27.794 28.827 -1.033 19522 3607 1 6 . 1 1 105 105 ARG H H 105 7.195 7.195 8.533 -1.338 19522 3608 1 6 . 1 1 106 106 ARG N N 106 118.875 118.875 119.097 -0.222 19522 3609 1 6 . 1 1 106 106 ARG C C 106 177.257 177.257 176.337 0.920 19522 3610 1 6 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.935 0.980 19522 3611 1 6 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.375 -2.821 19522 3612 1 6 . 1 1 106 106 ARG H H 106 8.452 8.452 7.783 0.669 19522 3613 1 6 . 1 1 107 107 ALA N N 107 121.864 121.864 121.438 0.426 19522 3614 1 6 . 1 1 107 107 ALA C C 107 175.701 175.701 176.672 -0.971 19522 3615 1 6 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.789 0.855 19522 3616 1 6 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.311 -0.248 19522 3617 1 6 . 1 1 107 107 ALA H H 107 7.839 7.839 7.808 0.031 19522 3618 1 6 . 1 1 108 108 PHE N N 108 121.984 121.984 117.000 4.984 19522 3619 1 6 . 1 1 108 108 PHE C C 108 174.982 174.982 174.648 0.334 19522 3620 1 6 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.064 -0.022 19522 3621 1 6 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.383 0.455 19522 3622 1 6 . 1 1 108 108 PHE H H 108 8.392 8.392 8.003 0.389 19522 3623 1 6 . 1 1 109 109 SER N N 109 114.585 114.585 117.458 -2.873 19522 3624 1 6 . 1 1 109 109 SER C C 109 175.421 175.421 174.642 0.779 19522 3625 1 6 . 1 1 109 109 SER CA C 109 55.044 55.044 57.124 -2.080 19522 3626 1 6 . 1 1 109 109 SER CB C 109 63.241 63.241 65.068 -1.827 19522 3627 1 6 . 1 1 109 109 SER H H 109 7.810 7.810 7.673 0.137 19522 3628 1 6 . 1 1 110 110 ASP N N 110 119.725 119.725 122.668 -2.943 19522 3629 1 6 . 1 1 110 110 ASP C C 110 178.196 178.196 178.784 -0.588 19522 3630 1 6 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.049 -1.069 19522 3631 1 6 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.681 -2.841 19522 3632 1 6 . 1 1 110 110 ASP H H 110 8.380 8.380 8.625 -0.245 19522 3633 1 6 . 1 1 111 111 LEU N N 111 120.827 120.827 120.271 0.556 19522 3634 1 6 . 1 1 111 111 LEU C C 111 178.804 178.804 178.742 0.062 19522 3635 1 6 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.571 -1.472 19522 3636 1 6 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.561 -0.764 19522 3637 1 6 . 1 1 111 111 LEU H H 111 7.783 7.783 8.741 -0.958 19522 3638 1 6 . 1 1 112 112 THR N N 112 109.101 109.101 113.156 -4.055 19522 3639 1 6 . 1 1 112 112 THR C C 112 177.157 177.157 177.453 -0.296 19522 3640 1 6 . 1 1 112 112 THR CA C 112 64.690 64.690 66.080 -1.390 19522 3641 1 6 . 1 1 112 112 THR CB C 112 67.407 67.407 68.288 -0.881 19522 3642 1 6 . 1 1 112 112 THR H H 112 8.331 8.331 7.962 0.369 19522 3643 1 6 . 1 1 113 113 SER N N 113 115.811 115.811 118.452 -2.641 19522 3644 1 6 . 1 1 113 113 SER C C 113 175.319 175.319 175.630 -0.311 19522 3645 1 6 . 1 1 113 113 SER CA C 113 59.736 59.736 61.217 -1.481 19522 3646 1 6 . 1 1 113 113 SER CB C 113 62.213 62.213 63.001 -0.788 19522 3647 1 6 . 1 1 113 113 SER H H 113 7.645 7.645 7.792 -0.146 19522 3648 1 6 . 1 1 114 114 GLN N N 114 118.421 118.421 120.386 -1.965 19522 3649 1 6 . 1 1 114 114 GLN C C 114 175.978 175.978 178.071 -2.093 19522 3650 1 6 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.029 -1.570 19522 3651 1 6 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.709 -0.698 19522 3652 1 6 . 1 1 114 114 GLN H H 114 7.614 7.614 8.045 -0.431 19522 3653 1 6 . 1 1 115 115 LEU N N 115 118.236 118.236 118.326 -0.090 19522 3654 1 6 . 1 1 115 115 LEU C C 115 176.198 176.198 177.323 -1.125 19522 3655 1 6 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.030 -1.226 19522 3656 1 6 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.646 -0.091 19522 3657 1 6 . 1 1 115 115 LEU H H 115 7.383 7.383 8.070 -0.687 19522 3658 1 6 . 1 1 116 116 HIS N N 116 119.694 119.694 116.850 2.844 19522 3659 1 6 . 1 1 116 116 HIS C C 116 174.122 174.122 174.288 -0.166 19522 3660 1 6 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.577 -0.198 19522 3661 1 6 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.198 -0.947 19522 3662 1 6 . 1 1 116 116 HIS H H 116 8.158 8.158 8.018 0.140 19522 3663 1 6 . 1 1 117 117 ILE N N 117 122.347 122.347 114.239 8.108 19522 3664 1 6 . 1 1 117 117 ILE C C 117 176.377 176.377 175.361 1.016 19522 3665 1 6 . 1 1 117 117 ILE CA C 117 60.717 60.717 62.052 -1.335 19522 3666 1 6 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.573 1.651 19522 3667 1 6 . 1 1 117 117 ILE H H 117 8.658 8.658 8.154 0.504 19522 3668 1 6 . 1 1 118 118 THR N N 118 115.798 115.798 118.139 -2.341 19522 3669 1 6 . 1 1 118 118 THR CA C 118 57.921 57.921 59.757 -1.835 19522 3670 1 6 . 1 1 118 118 THR CB C 118 63.434 63.434 68.665 -5.231 19522 3671 1 6 . 1 1 118 118 THR H H 118 8.227 8.227 8.068 0.159 19522 3672 1 6 . 1 1 120 120 GLY N N 120 109.574 109.574 107.743 1.831 19522 3673 1 6 . 1 1 120 120 GLY C C 120 180.495 180.495 173.756 6.739 19522 3674 1 6 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.903 -1.510 19522 3675 1 6 . 1 1 120 120 GLY H H 120 8.429 8.429 8.169 0.260 19522 3676 1 6 . 1 1 121 121 THR N N 121 113.419 113.419 114.188 -0.769 19522 3677 1 6 . 1 1 121 121 THR C C 121 178.096 178.096 175.275 2.821 19522 3678 1 6 . 1 1 121 121 THR CA C 121 62.041 62.041 62.635 -0.594 19522 3679 1 6 . 1 1 121 121 THR CB C 121 63.994 63.994 67.544 -3.550 19522 3680 1 6 . 1 1 121 121 THR H H 121 7.774 7.774 8.496 -0.722 19522 3681 1 6 . 1 1 122 122 ALA N N 122 121.876 121.876 123.215 -1.339 19522 3682 1 6 . 1 1 122 122 ALA C C 122 177.397 177.397 176.838 0.559 19522 3683 1 6 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.241 -0.617 19522 3684 1 6 . 1 1 122 122 ALA CB C 122 18.525 18.525 19.885 -1.360 19522 3685 1 6 . 1 1 122 122 ALA H H 122 7.944 7.944 7.298 0.646 19522 3686 1 6 . 1 1 123 123 TYR N N 123 120.931 120.931 113.108 7.823 19522 3687 1 6 . 1 1 123 123 TYR C C 123 176.060 176.060 176.813 -0.753 19522 3688 1 6 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.858 1.197 19522 3689 1 6 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.131 -1.649 19522 3690 1 6 . 1 1 123 123 TYR H H 123 8.748 8.748 7.806 0.942 19522 3691 1 6 . 1 1 124 124 GLN N N 124 115.002 115.002 121.475 -6.473 19522 3692 1 6 . 1 1 124 124 GLN C C 124 178.098 178.098 178.280 -0.182 19522 3693 1 6 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.232 -0.592 19522 3694 1 6 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.424 -1.908 19522 3695 1 6 . 1 1 124 124 GLN H H 124 8.454 8.454 7.493 0.961 19522 3696 1 6 . 1 1 125 125 SER N N 125 114.135 114.135 115.338 -1.203 19522 3697 1 6 . 1 1 125 125 SER C C 125 179.557 179.557 176.082 3.475 19522 3698 1 6 . 1 1 125 125 SER CA C 125 61.357 61.357 61.257 0.100 19522 3699 1 6 . 1 1 125 125 SER CB C 125 61.357 61.357 62.698 -1.341 19522 3700 1 6 . 1 1 125 125 SER H H 125 7.283 7.283 7.665 -0.382 19522 3701 1 6 . 1 1 126 126 PHE N N 126 113.327 113.327 123.890 -10.563 19522 3702 1 6 . 1 1 126 126 PHE C C 126 174.879 174.879 176.910 -2.031 19522 3703 1 6 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.929 0.188 19522 3704 1 6 . 1 1 126 126 PHE CB C 126 37.703 37.703 38.972 -1.269 19522 3705 1 6 . 1 1 126 126 PHE H H 126 6.606 6.606 8.098 -1.492 19522 3706 1 6 . 1 1 127 127 GLU N N 127 119.398 119.398 118.567 0.831 19522 3707 1 6 . 1 1 127 127 GLU C C 127 176.857 176.857 178.820 -1.963 19522 3708 1 6 . 1 1 127 127 GLU CA C 127 58.058 58.058 60.134 -2.076 19522 3709 1 6 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.255 -0.365 19522 3710 1 6 . 1 1 127 127 GLU H H 127 8.546 8.546 8.015 0.531 19522 3711 1 6 . 1 1 128 128 GLN N N 128 114.754 114.754 119.607 -4.853 19522 3712 1 6 . 1 1 128 128 GLN C C 128 178.356 178.356 178.430 -0.074 19522 3713 1 6 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.650 -0.570 19522 3714 1 6 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.363 -1.368 19522 3715 1 6 . 1 1 128 128 GLN H H 128 7.525 7.525 8.076 -0.551 19522 3716 1 6 . 1 1 129 129 VAL N N 129 118.194 118.194 118.896 -0.702 19522 3717 1 6 . 1 1 129 129 VAL C C 129 177.756 177.756 178.874 -1.118 19522 3718 1 6 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.256 -1.166 19522 3719 1 6 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.345 -1.096 19522 3720 1 6 . 1 1 129 129 VAL H H 129 7.036 7.036 7.827 -0.791 19522 3721 1 6 . 1 1 130 130 VAL N N 130 119.459 119.459 120.198 -0.739 19522 3722 1 6 . 1 1 130 130 VAL C C 130 177.714 177.714 178.212 -0.498 19522 3723 1 6 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.344 -0.935 19522 3724 1 6 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.586 -1.114 19522 3725 1 6 . 1 1 130 130 VAL H H 130 7.831 7.831 8.393 -0.562 19522 3726 1 6 . 1 1 131 131 ASN N N 131 117.212 117.212 117.221 -0.009 19522 3727 1 6 . 1 1 131 131 ASN C C 131 178.775 178.775 176.892 1.883 19522 3728 1 6 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.268 -1.624 19522 3729 1 6 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.562 -2.297 19522 3730 1 6 . 1 1 131 131 ASN H H 131 8.374 8.374 8.581 -0.207 19522 3731 1 6 . 1 1 132 132 GLU N N 132 118.393 118.393 119.516 -1.123 19522 3732 1 6 . 1 1 132 132 GLU C C 132 179.097 179.097 179.282 -0.185 19522 3733 1 6 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.760 -0.782 19522 3734 1 6 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.486 -2.114 19522 3735 1 6 . 1 1 132 132 GLU H H 132 7.226 7.226 7.534 -0.308 19522 3736 1 6 . 1 1 133 133 LEU N N 133 120.835 120.835 120.881 -0.046 19522 3737 1 6 . 1 1 133 133 LEU C C 133 178.016 178.016 177.456 0.560 19522 3738 1 6 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.417 -0.615 19522 3739 1 6 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.661 -1.880 19522 3740 1 6 . 1 1 133 133 LEU H H 133 7.467 7.467 7.492 -0.025 19522 3741 1 6 . 1 1 134 134 PHE N N 134 112.847 112.847 116.379 -3.532 19522 3742 1 6 . 1 1 134 134 PHE C C 134 176.258 176.258 176.700 -0.442 19522 3743 1 6 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.520 -2.981 19522 3744 1 6 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.318 -0.455 19522 3745 1 6 . 1 1 134 134 PHE H H 134 6.926 6.926 7.376 -0.450 19522 3746 1 6 . 1 1 135 135 ARG N N 135 123.664 123.664 118.399 5.265 19522 3747 1 6 . 1 1 135 135 ARG C C 135 176.957 176.957 176.363 0.594 19522 3748 1 6 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.362 1.575 19522 3749 1 6 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.729 -2.718 19522 3750 1 6 . 1 1 135 135 ARG H H 135 7.144 7.144 7.536 -0.392 19522 3751 1 6 . 1 1 136 136 ASP N N 136 116.448 116.448 116.808 -0.360 19522 3752 1 6 . 1 1 136 136 ASP C C 136 175.339 175.339 176.939 -1.600 19522 3753 1 6 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.252 -0.909 19522 3754 1 6 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.535 -4.937 19522 3755 1 6 . 1 1 136 136 ASP H H 136 8.607 8.607 7.488 1.119 19522 3756 1 6 . 1 1 137 137 GLY N N 137 108.506 108.506 109.435 -0.929 19522 3757 1 6 . 1 1 137 137 GLY C C 137 172.324 172.324 173.748 -1.424 19522 3758 1 6 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.849 -2.054 19522 3759 1 6 . 1 1 137 137 GLY H H 137 7.468 7.468 8.323 -0.855 19522 3760 1 6 . 1 1 138 138 VAL N N 138 120.519 120.519 124.776 -4.257 19522 3761 1 6 . 1 1 138 138 VAL C C 138 174.160 174.160 174.784 -0.624 19522 3762 1 6 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.894 -0.001 19522 3763 1 6 . 1 1 138 138 VAL CB C 138 30.808 30.808 30.022 0.786 19522 3764 1 6 . 1 1 138 138 VAL H H 138 8.181 8.181 8.373 -0.192 19522 3765 1 6 . 1 1 139 139 ASN N N 139 115.573 115.573 124.031 -8.458 19522 3766 1 6 . 1 1 139 139 ASN C C 139 174.959 174.959 175.318 -0.359 19522 3767 1 6 . 1 1 139 139 ASN CA C 139 51.025 51.025 52.458 -1.433 19522 3768 1 6 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.910 -2.271 19522 3769 1 6 . 1 1 139 139 ASN H H 139 6.261 6.261 7.676 -1.415 19522 3770 1 6 . 1 1 140 140 TRP N N 140 118.231 118.231 125.767 -7.536 19522 3771 1 6 . 1 1 140 140 TRP C C 140 177.976 177.976 177.194 0.782 19522 3772 1 6 . 1 1 140 140 TRP CA C 140 60.135 60.135 58.447 1.688 19522 3773 1 6 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.215 -0.606 19522 3774 1 6 . 1 1 140 140 TRP H H 140 8.413 8.413 8.907 -0.494 19522 3775 1 6 . 1 1 141 141 GLY N N 141 106.238 106.238 106.663 -0.425 19522 3776 1 6 . 1 1 141 141 GLY C C 141 177.297 177.297 175.328 1.969 19522 3777 1 6 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.014 0.457 19522 3778 1 6 . 1 1 141 141 GLY H H 141 8.494 8.494 8.922 -0.428 19522 3779 1 6 . 1 1 142 142 ARG N N 142 121.156 121.156 121.767 -0.611 19522 3780 1 6 . 1 1 142 142 ARG C C 142 177.457 177.457 177.922 -0.465 19522 3781 1 6 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.515 -0.017 19522 3782 1 6 . 1 1 142 142 ARG CB C 142 29.609 29.609 29.893 -0.284 19522 3783 1 6 . 1 1 142 142 ARG H H 142 8.104 8.104 7.703 0.401 19522 3784 1 6 . 1 1 143 143 ILE N N 143 120.888 120.888 119.655 1.233 19522 3785 1 6 . 1 1 143 143 ILE C C 143 177.756 177.756 177.139 0.617 19522 3786 1 6 . 1 1 143 143 ILE CA C 143 65.889 65.889 63.961 1.928 19522 3787 1 6 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.823 -2.220 19522 3788 1 6 . 1 1 143 143 ILE H H 143 7.696 7.696 7.546 0.150 19522 3789 1 6 . 1 1 144 144 VAL N N 144 120.958 120.958 118.975 1.983 19522 3790 1 6 . 1 1 144 144 VAL C C 144 177.557 177.557 177.661 -0.104 19522 3791 1 6 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.098 0.990 19522 3792 1 6 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.276 -0.187 19522 3793 1 6 . 1 1 144 144 VAL H H 144 8.229 8.229 7.275 0.954 19522 3794 1 6 . 1 1 145 145 ALA N N 145 121.229 121.229 122.686 -1.457 19522 3795 1 6 . 1 1 145 145 ALA C C 145 177.999 177.999 178.859 -0.860 19522 3796 1 6 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.916 -0.854 19522 3797 1 6 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.106 -1.123 19522 3798 1 6 . 1 1 145 145 ALA H H 145 7.579 7.579 7.439 0.140 19522 3799 1 6 . 1 1 146 146 PHE N N 146 119.338 119.338 119.865 -0.527 19522 3800 1 6 . 1 1 146 146 PHE C C 146 179.432 179.432 177.072 2.360 19522 3801 1 6 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.834 -0.665 19522 3802 1 6 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.006 -1.143 19522 3803 1 6 . 1 1 146 146 PHE H H 146 7.985 7.985 8.080 -0.095 19522 3804 1 6 . 1 1 147 147 PHE N N 147 119.900 119.900 117.536 2.364 19522 3805 1 6 . 1 1 147 147 PHE C C 147 177.399 177.399 177.702 -0.303 19522 3806 1 6 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.045 -2.926 19522 3807 1 6 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.278 1.161 19522 3808 1 6 . 1 1 147 147 PHE H H 147 7.824 7.824 8.226 -0.402 19522 3809 1 6 . 1 1 148 148 SER N N 148 114.725 114.725 116.560 -1.835 19522 3810 1 6 . 1 1 148 148 SER C C 148 177.357 177.357 176.260 1.097 19522 3811 1 6 . 1 1 148 148 SER CA C 148 63.115 63.115 62.151 0.964 19522 3812 1 6 . 1 1 148 148 SER CB C 148 61.893 61.893 62.345 -0.452 19522 3813 1 6 . 1 1 148 148 SER H H 148 8.423 8.423 8.011 0.412 19522 3814 1 6 . 1 1 149 149 PHE N N 149 124.361 124.361 121.316 3.045 19522 3815 1 6 . 1 1 149 149 PHE C C 149 176.338 176.338 178.123 -1.785 19522 3816 1 6 . 1 1 149 149 PHE CA C 149 59.336 59.336 60.908 -1.572 19522 3817 1 6 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.320 -1.039 19522 3818 1 6 . 1 1 149 149 PHE H H 149 9.097 9.097 8.283 0.814 19522 3819 1 6 . 1 1 150 150 GLY N N 150 105.935 105.935 105.973 -0.038 19522 3820 1 6 . 1 1 150 150 GLY C C 150 176.398 176.398 176.201 0.197 19522 3821 1 6 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.631 0.399 19522 3822 1 6 . 1 1 150 150 GLY H H 150 7.937 7.937 7.925 0.012 19522 3823 1 6 . 1 1 151 151 GLY N N 151 107.449 107.449 109.892 -2.443 19522 3824 1 6 . 1 1 151 151 GLY C C 151 174.300 174.300 175.568 -1.268 19522 3825 1 6 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.783 0.167 19522 3826 1 6 . 1 1 151 151 GLY H H 151 8.803 8.803 8.444 0.359 19522 3827 1 6 . 1 1 152 152 ALA N N 152 124.384 124.384 123.887 0.497 19522 3828 1 6 . 1 1 152 152 ALA C C 152 177.636 177.636 179.362 -1.726 19522 3829 1 6 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.396 -0.254 19522 3830 1 6 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.508 -1.445 19522 3831 1 6 . 1 1 152 152 ALA H H 152 8.232 8.232 7.880 0.352 19522 3832 1 6 . 1 1 153 153 LEU N N 153 118.871 118.871 120.178 -1.307 19522 3833 1 6 . 1 1 153 153 LEU C C 153 179.937 179.937 178.596 1.341 19522 3834 1 6 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.445 -0.857 19522 3835 1 6 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.672 -1.012 19522 3836 1 6 . 1 1 153 153 LEU H H 153 8.159 8.159 7.686 0.472 19522 3837 1 6 . 1 1 154 154 CYS N N 154 118.554 118.554 117.667 0.887 19522 3838 1 6 . 1 1 154 154 CYS C C 154 177.332 177.332 176.685 0.647 19522 3839 1 6 . 1 1 154 154 CYS CA C 154 60.296 60.296 63.137 -2.841 19522 3840 1 6 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.334 -2.097 19522 3841 1 6 . 1 1 154 154 CYS H H 154 8.049 8.049 8.478 -0.429 19522 3842 1 6 . 1 1 155 155 VAL N N 155 118.474 118.474 121.497 -3.023 19522 3843 1 6 . 1 1 155 155 VAL C C 155 175.723 175.723 178.534 -2.811 19522 3844 1 6 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.646 -0.517 19522 3845 1 6 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.954 -0.226 19522 3846 1 6 . 1 1 155 155 VAL H H 155 8.016 8.016 7.531 0.485 19522 3847 1 6 . 1 1 156 156 GLU N N 156 119.114 119.114 118.575 0.539 19522 3848 1 6 . 1 1 156 156 GLU C C 156 178.036 178.036 179.084 -1.048 19522 3849 1 6 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.291 2.987 19522 3850 1 6 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.914 -1.462 19522 3851 1 6 . 1 1 156 156 GLU H H 156 8.025 8.025 7.968 0.057 19522 3852 1 6 . 1 1 157 157 SER N N 157 113.391 113.391 116.359 -2.968 19522 3853 1 6 . 1 1 157 157 SER C C 157 175.299 175.299 176.210 -0.911 19522 3854 1 6 . 1 1 157 157 SER CA C 157 62.373 62.373 62.345 0.028 19522 3855 1 6 . 1 1 157 157 SER CB C 157 60.854 60.854 63.274 -2.420 19522 3856 1 6 . 1 1 157 157 SER H H 157 7.629 7.629 7.963 -0.334 19522 3857 1 6 . 1 1 158 158 VAL N N 158 120.493 120.493 121.188 -0.695 19522 3858 1 6 . 1 1 158 158 VAL C C 158 173.977 173.977 177.522 -3.545 19522 3859 1 6 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.382 1.347 19522 3860 1 6 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.977 -1.368 19522 3861 1 6 . 1 1 158 158 VAL H H 158 7.374 7.374 7.533 -0.159 19522 3862 1 6 . 1 1 159 159 ASP N N 159 123.215 123.215 121.957 1.258 19522 3863 1 6 . 1 1 159 159 ASP C C 159 177.696 177.696 177.665 0.031 19522 3864 1 6 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.665 -0.046 19522 3865 1 6 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.990 -1.072 19522 3866 1 6 . 1 1 159 159 ASP H H 159 8.309 8.309 8.425 -0.116 19522 3867 1 6 . 1 1 160 160 LYS N N 160 115.648 115.648 118.038 -2.390 19522 3868 1 6 . 1 1 160 160 LYS C C 160 174.839 174.839 175.549 -0.710 19522 3869 1 6 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.800 -0.699 19522 3870 1 6 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.026 -2.538 19522 3871 1 6 . 1 1 160 160 LYS H H 160 7.541 7.541 7.504 0.037 19522 3872 1 6 . 1 1 161 161 GLU N N 161 113.911 113.911 118.115 -4.204 19522 3873 1 6 . 1 1 161 161 GLU C C 161 175.781 175.781 176.538 -0.757 19522 3874 1 6 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.186 -1.407 19522 3875 1 6 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.085 -3.031 19522 3876 1 6 . 1 1 161 161 GLU H H 161 7.842 7.842 7.937 -0.095 19522 3877 1 6 . 1 1 162 162 MET N N 162 118.882 118.882 116.643 2.239 19522 3878 1 6 . 1 1 162 162 MET C C 162 176.597 176.597 177.277 -0.680 19522 3879 1 6 . 1 1 162 162 MET CA C 162 52.646 52.646 57.272 -4.625 19522 3880 1 6 . 1 1 162 162 MET CB C 162 30.488 30.488 34.006 -3.518 19522 3881 1 6 . 1 1 162 162 MET H H 162 8.420 8.420 8.675 -0.255 19522 3882 1 6 . 1 1 163 163 GLN N N 163 119.366 119.366 117.752 1.614 19522 3883 1 6 . 1 1 163 163 GLN C C 163 177.397 177.397 176.829 0.568 19522 3884 1 6 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.584 0.592 19522 3885 1 6 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.181 -1.088 19522 3886 1 6 . 1 1 163 163 GLN H H 163 8.615 8.615 8.198 0.417 19522 3887 1 6 . 1 1 164 164 VAL N N 164 116.957 116.957 120.369 -3.412 19522 3888 1 6 . 1 1 164 164 VAL C C 164 175.459 175.459 177.461 -2.002 19522 3889 1 6 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.872 -3.020 19522 3890 1 6 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.329 -1.240 19522 3891 1 6 . 1 1 164 164 VAL H H 164 7.938 7.938 8.055 -0.117 19522 3892 1 6 . 1 1 165 165 LEU N N 165 117.124 117.124 119.527 -2.403 19522 3893 1 6 . 1 1 165 165 LEU C C 165 177.714 177.714 178.330 -0.616 19522 3894 1 6 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.127 -2.443 19522 3895 1 6 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.842 -2.164 19522 3896 1 6 . 1 1 165 165 LEU H H 165 7.741 7.741 7.759 -0.018 19522 3897 1 6 . 1 1 166 166 VAL N N 166 119.434 119.434 118.060 1.374 19522 3898 1 6 . 1 1 166 166 VAL C C 166 176.817 176.817 178.113 -1.296 19522 3899 1 6 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.710 1.138 19522 3900 1 6 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.110 -1.740 19522 3901 1 6 . 1 1 166 166 VAL H H 166 7.342 7.342 7.962 -0.620 19522 3902 1 6 . 1 1 167 167 SER N N 167 110.775 110.775 116.373 -5.598 19522 3903 1 6 . 1 1 167 167 SER C C 167 176.737 176.737 176.958 -0.221 19522 3904 1 6 . 1 1 167 167 SER CA C 167 60.215 60.215 61.998 -1.783 19522 3905 1 6 . 1 1 167 167 SER CB C 167 61.654 61.654 62.253 -0.599 19522 3906 1 6 . 1 1 167 167 SER H H 167 8.099 8.099 8.529 -0.430 19522 3907 1 6 . 1 1 168 168 ARG N N 168 122.916 122.916 121.004 1.912 19522 3908 1 6 . 1 1 168 168 ARG C C 168 175.439 175.439 178.223 -2.784 19522 3909 1 6 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.618 2.997 19522 3910 1 6 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.793 -1.782 19522 3911 1 6 . 1 1 168 168 ARG H H 168 6.596 6.596 7.894 -1.298 19522 3912 1 6 . 1 1 169 169 ILE N N 169 118.335 118.335 120.595 -2.260 19522 3913 1 6 . 1 1 169 169 ILE C C 169 177.779 177.779 177.788 -0.009 19522 3914 1 6 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.458 -1.327 19522 3915 1 6 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.673 -0.712 19522 3916 1 6 . 1 1 169 169 ILE H H 169 7.928 7.928 7.787 0.141 19522 3917 1 6 . 1 1 170 170 ALA N N 170 119.271 119.271 121.053 -1.782 19522 3918 1 6 . 1 1 170 170 ALA C C 170 179.195 179.195 179.285 -0.090 19522 3919 1 6 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.366 -1.464 19522 3920 1 6 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.855 -1.031 19522 3921 1 6 . 1 1 170 170 ALA H H 170 7.672 7.672 8.352 -0.680 19522 3922 1 6 . 1 1 171 171 ALA N N 171 120.393 120.393 121.637 -1.244 19522 3923 1 6 . 1 1 171 171 ALA C C 171 180.833 180.833 179.508 1.325 19522 3924 1 6 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.567 -0.425 19522 3925 1 6 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.834 -1.330 19522 3926 1 6 . 1 1 171 171 ALA H H 171 7.258 7.258 7.260 -0.002 19522 3927 1 6 . 1 1 172 172 TRP N N 172 121.501 121.501 118.420 3.081 19522 3928 1 6 . 1 1 172 172 TRP C C 172 179.350 179.350 178.527 0.823 19522 3929 1 6 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.828 -1.809 19522 3930 1 6 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.702 -1.410 19522 3931 1 6 . 1 1 172 172 TRP H H 172 8.936 8.936 7.866 1.070 19522 3932 1 6 . 1 1 173 173 MET N N 173 117.211 117.211 119.508 -2.297 19522 3933 1 6 . 1 1 173 173 MET C C 173 176.158 176.158 178.190 -2.032 19522 3934 1 6 . 1 1 173 173 MET CA C 173 60.238 60.238 59.242 0.996 19522 3935 1 6 . 1 1 173 173 MET CB C 173 28.833 28.833 32.945 -4.112 19522 3936 1 6 . 1 1 173 173 MET H H 173 8.885 8.885 8.702 0.183 19522 3937 1 6 . 1 1 174 174 ALA N N 174 120.901 120.901 121.103 -0.202 19522 3938 1 6 . 1 1 174 174 ALA C C 174 178.875 178.875 179.519 -0.644 19522 3939 1 6 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.562 -0.701 19522 3940 1 6 . 1 1 174 174 ALA CB C 174 16.687 16.687 17.977 -1.290 19522 3941 1 6 . 1 1 174 174 ALA H H 174 8.206 8.206 8.329 -0.123 19522 3942 1 6 . 1 1 175 175 THR N N 175 116.591 116.591 117.243 -0.652 19522 3943 1 6 . 1 1 175 175 THR C C 175 174.782 174.782 176.680 -1.898 19522 3944 1 6 . 1 1 175 175 THR CA C 175 66.209 66.209 67.055 -0.846 19522 3945 1 6 . 1 1 175 175 THR CB C 175 68.046 68.046 68.671 -0.625 19522 3946 1 6 . 1 1 175 175 THR H H 175 8.530 8.530 7.762 0.768 19522 3947 1 6 . 1 1 176 176 TYR N N 176 123.375 123.375 122.876 0.499 19522 3948 1 6 . 1 1 176 176 TYR C C 176 179.255 179.255 177.320 1.935 19522 3949 1 6 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.157 1.216 19522 3950 1 6 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.757 -0.894 19522 3951 1 6 . 1 1 176 176 TYR H H 176 8.822 8.822 8.154 0.668 19522 3952 1 6 . 1 1 177 177 LEU N N 177 119.511 119.511 121.541 -2.030 19522 3953 1 6 . 1 1 177 177 LEU C C 177 177.979 177.979 178.303 -0.324 19522 3954 1 6 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.391 0.066 19522 3955 1 6 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.843 -0.567 19522 3956 1 6 . 1 1 177 177 LEU H H 177 8.759 8.759 8.750 0.009 19522 3957 1 6 . 1 1 178 178 ASN N N 178 117.233 117.233 116.374 0.859 19522 3958 1 6 . 1 1 178 178 ASN C C 178 176.021 176.021 176.861 -0.840 19522 3959 1 6 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.876 -0.033 19522 3960 1 6 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.455 -0.352 19522 3961 1 6 . 1 1 178 178 ASN H H 178 8.333 8.333 7.895 0.438 19522 3962 1 6 . 1 1 179 179 ASP N N 179 115.264 115.264 119.032 -3.768 19522 3963 1 6 . 1 1 179 179 ASP C C 179 177.557 177.557 176.761 0.796 19522 3964 1 6 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.558 -0.658 19522 3965 1 6 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.293 -2.014 19522 3966 1 6 . 1 1 179 179 ASP H H 179 8.451 8.451 7.935 0.516 19522 3967 1 6 . 1 1 180 180 HIS N N 180 111.728 111.728 114.174 -2.446 19522 3968 1 6 . 1 1 180 180 HIS C C 180 175.479 175.479 176.654 -1.175 19522 3969 1 6 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.468 -1.047 19522 3970 1 6 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.060 -2.451 19522 3971 1 6 . 1 1 180 180 HIS H H 180 8.073 8.073 7.606 0.467 19522 3972 1 6 . 1 1 181 181 LEU N N 181 116.833 116.833 121.921 -5.088 19522 3973 1 6 . 1 1 181 181 LEU C C 181 176.160 176.160 178.446 -2.286 19522 3974 1 6 . 1 1 181 181 LEU CA C 181 55.021 55.021 59.155 -4.134 19522 3975 1 6 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.959 -0.203 19522 3976 1 6 . 1 1 181 181 LEU H H 181 7.183 7.183 7.667 -0.484 19522 3977 1 6 . 1 1 182 182 GLU N N 182 121.364 121.364 118.543 2.821 19522 3978 1 6 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.696 -0.682 19522 3979 1 6 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.654 -1.698 19522 3980 1 6 . 1 1 182 182 GLU H H 182 8.596 8.596 8.774 -0.178 19522 3981 1 6 . 1 1 184 184 TRP N N 184 117.804 117.804 120.034 -2.230 19522 3982 1 6 . 1 1 184 184 TRP C C 184 179.217 179.217 178.065 1.152 19522 3983 1 6 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.715 5.957 19522 3984 1 6 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.745 -0.672 19522 3985 1 6 . 1 1 184 184 TRP H H 184 7.070 7.070 7.894 -0.824 19522 3986 1 6 . 1 1 185 185 ILE N N 185 121.825 121.825 119.409 2.416 19522 3987 1 6 . 1 1 185 185 ILE C C 185 178.655 178.655 177.776 0.879 19522 3988 1 6 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.748 0.524 19522 3989 1 6 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.853 -1.908 19522 3990 1 6 . 1 1 185 185 ILE H H 185 8.396 8.396 8.206 0.190 19522 3991 1 6 . 1 1 186 186 GLN N N 186 116.489 116.489 115.137 1.352 19522 3992 1 6 . 1 1 186 186 GLN C C 186 179.035 179.035 176.717 2.318 19522 3993 1 6 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.003 0.815 19522 3994 1 6 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.415 -1.602 19522 3995 1 6 . 1 1 186 186 GLN H H 186 8.374 8.374 7.636 0.738 19522 3996 1 6 . 1 1 187 187 GLU N N 187 118.764 118.764 119.616 -0.852 19522 3997 1 6 . 1 1 187 187 GLU C C 187 176.458 176.458 177.398 -0.940 19522 3998 1 6 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.069 -0.050 19522 3999 1 6 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.546 -2.135 19522 4000 1 6 . 1 1 187 187 GLU H H 187 7.515 7.515 7.572 -0.057 19522 4001 1 6 . 1 1 188 188 ASN N N 188 116.561 116.561 116.748 -0.187 19522 4002 1 6 . 1 1 188 188 ASN C C 188 173.620 173.620 174.561 -0.941 19522 4003 1 6 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.259 -0.396 19522 4004 1 6 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.717 -2.996 19522 4005 1 6 . 1 1 188 188 ASN H H 188 7.092 7.092 7.982 -0.890 19522 4006 1 6 . 1 1 189 189 GLY N N 189 104.897 104.897 105.098 -0.201 19522 4007 1 6 . 1 1 189 189 GLY C C 189 175.658 175.658 172.570 3.088 19522 4008 1 6 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.462 0.330 19522 4009 1 6 . 1 1 189 189 GLY H H 189 7.339 7.339 7.080 0.259 19522 4010 1 6 . 1 1 190 190 GLY N N 190 108.292 108.292 107.602 0.690 19522 4011 1 6 . 1 1 190 190 GLY C C 190 173.021 173.021 174.725 -1.704 19522 4012 1 6 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.090 -1.736 19522 4013 1 6 . 1 1 190 190 GLY H H 190 8.462 8.462 9.200 -0.738 19522 4014 1 6 . 1 1 191 191 TRP N N 191 118.031 118.031 121.799 -3.768 19522 4015 1 6 . 1 1 191 191 TRP C C 191 178.136 178.136 177.308 0.828 19522 4016 1 6 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.409 -0.993 19522 4017 1 6 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.012 -0.362 19522 4018 1 6 . 1 1 191 191 TRP H H 191 8.673 8.673 8.395 0.278 19522 4019 1 6 . 1 1 192 192 ASP N N 192 117.298 117.298 118.315 -1.017 19522 4020 1 6 . 1 1 192 192 ASP C C 192 179.058 179.058 177.301 1.757 19522 4021 1 6 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.043 0.816 19522 4022 1 6 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.639 -0.360 19522 4023 1 6 . 1 1 192 192 ASP H H 192 8.846 8.846 7.857 0.989 19522 4024 1 6 . 1 1 193 193 THR N N 193 116.061 116.061 114.949 1.112 19522 4025 1 6 . 1 1 193 193 THR C C 193 174.979 174.979 175.800 -0.821 19522 4026 1 6 . 1 1 193 193 THR CA C 193 65.649 65.649 64.441 1.208 19522 4027 1 6 . 1 1 193 193 THR CB C 193 67.327 67.327 68.803 -1.476 19522 4028 1 6 . 1 1 193 193 THR H H 193 7.431 7.431 7.417 0.014 19522 4029 1 6 . 1 1 194 194 PHE N N 194 121.789 121.789 122.804 -1.015 19522 4030 1 6 . 1 1 194 194 PHE C C 194 176.418 176.418 177.072 -0.654 19522 4031 1 6 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.085 -0.071 19522 4032 1 6 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.245 -2.365 19522 4033 1 6 . 1 1 194 194 PHE H H 194 6.527 6.527 8.177 -1.650 19522 4034 1 6 . 1 1 195 195 VAL N N 195 116.988 116.988 117.612 -0.624 19522 4035 1 6 . 1 1 195 195 VAL C C 195 178.078 178.078 177.898 0.180 19522 4036 1 6 . 1 1 195 195 VAL CA C 195 65.752 65.752 65.934 -0.182 19522 4037 1 6 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.692 -0.204 19522 4038 1 6 . 1 1 195 195 VAL H H 195 7.747 7.747 7.980 -0.233 19522 4039 1 6 . 1 1 196 196 GLU N N 196 120.171 120.171 119.506 0.665 19522 4040 1 6 . 1 1 196 196 GLU C C 196 177.976 177.976 178.214 -0.238 19522 4041 1 6 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.305 -0.985 19522 4042 1 6 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.279 -0.606 19522 4043 1 6 . 1 1 196 196 GLU H H 196 7.497 7.497 7.999 -0.502 19522 4044 1 6 . 1 1 197 197 LEU N N 197 117.210 117.210 113.694 3.516 19522 4045 1 6 . 1 1 197 197 LEU C C 197 178.376 178.376 176.377 1.999 19522 4046 1 6 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.375 0.525 19522 4047 1 6 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.298 1.097 19522 4048 1 6 . 1 1 197 197 LEU H H 197 7.626 7.626 7.456 0.170 19522 4049 1 6 . 1 1 198 198 TYR N N 198 115.681 115.681 120.220 -4.539 19522 4050 1 6 . 1 1 198 198 TYR C C 198 176.577 176.577 176.477 0.100 19522 4051 1 6 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.794 -0.417 19522 4052 1 6 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.652 -2.131 19522 4053 1 6 . 1 1 198 198 TYR H H 198 8.081 8.081 7.649 0.432 19522 4054 1 6 . 1 1 199 199 GLY N N 199 108.201 108.201 106.924 1.277 19522 4055 1 6 . 1 1 199 199 GLY C C 199 173.640 173.640 175.400 -1.760 19522 4056 1 6 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.426 -0.873 19522 4057 1 6 . 1 1 199 199 GLY H H 199 8.032 8.032 8.071 -0.039 19522 4058 1 6 . 1 1 200 200 ASN N N 200 118.385 118.385 118.338 0.047 19522 4059 1 6 . 1 1 200 200 ASN C C 200 175.081 175.081 174.877 0.204 19522 4060 1 6 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.652 0.132 19522 4061 1 6 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.391 -1.950 19522 4062 1 6 . 1 1 200 200 ASN H H 200 8.300 8.300 8.133 0.167 19522 4063 1 7 . 1 1 5 5 SER N N 5 116.171 116.171 120.643 -4.472 19522 4064 1 7 . 1 1 5 5 SER C C 5 174.320 174.320 174.449 -0.129 19522 4065 1 7 . 1 1 5 5 SER CA C 5 57.898 57.898 58.958 -1.060 19522 4066 1 7 . 1 1 5 5 SER CB C 5 62.533 62.533 63.603 -1.070 19522 4067 1 7 . 1 1 5 5 SER H H 5 8.224 8.224 8.701 -0.477 19522 4068 1 7 . 1 1 6 6 GLN N N 6 122.369 122.369 118.690 3.679 19522 4069 1 7 . 1 1 6 6 GLN C C 6 176.418 176.418 176.089 0.329 19522 4070 1 7 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.094 -0.195 19522 4071 1 7 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.995 0.815 19522 4072 1 7 . 1 1 6 6 GLN H H 6 8.337 8.337 8.510 -0.173 19522 4073 1 7 . 1 1 7 7 SER N N 7 116.584 116.584 115.194 1.390 19522 4074 1 7 . 1 1 7 7 SER C C 7 175.859 175.859 176.213 -0.354 19522 4075 1 7 . 1 1 7 7 SER CA C 7 56.260 56.260 60.930 -4.670 19522 4076 1 7 . 1 1 7 7 SER CB C 7 61.916 61.916 62.671 -0.755 19522 4077 1 7 . 1 1 7 7 SER H H 7 8.221 8.221 8.803 -0.582 19522 4078 1 7 . 1 1 8 8 ASN N N 8 119.373 119.373 120.588 -1.215 19522 4079 1 7 . 1 1 8 8 ASN C C 8 177.259 177.259 177.280 -0.021 19522 4080 1 7 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.144 -2.937 19522 4081 1 7 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.286 -1.622 19522 4082 1 7 . 1 1 8 8 ASN H H 8 8.375 8.375 7.965 0.410 19522 4083 1 7 . 1 1 9 9 ARG N N 9 119.039 119.039 121.199 -2.160 19522 4084 1 7 . 1 1 9 9 ARG C C 9 176.977 176.977 178.585 -1.608 19522 4085 1 7 . 1 1 9 9 ARG CA C 9 58.006 58.006 58.993 -0.987 19522 4086 1 7 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.157 1.153 19522 4087 1 7 . 1 1 9 9 ARG H H 9 7.815 7.815 8.400 -0.585 19522 4088 1 7 . 1 1 10 10 GLU N N 10 117.158 117.158 120.366 -3.208 19522 4089 1 7 . 1 1 10 10 GLU C C 10 179.475 179.475 179.145 0.330 19522 4090 1 7 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.277 -3.780 19522 4091 1 7 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.132 -0.139 19522 4092 1 7 . 1 1 10 10 GLU H H 10 7.949 7.949 8.343 -0.394 19522 4093 1 7 . 1 1 11 11 LEU N N 11 119.880 119.880 120.418 -0.538 19522 4094 1 7 . 1 1 11 11 LEU C C 11 178.096 178.096 179.013 -0.917 19522 4095 1 7 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.898 -0.697 19522 4096 1 7 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.320 -1.402 19522 4097 1 7 . 1 1 11 11 LEU H H 11 7.807 7.807 7.988 -0.181 19522 4098 1 7 . 1 1 12 12 VAL N N 12 117.702 117.702 119.610 -1.908 19522 4099 1 7 . 1 1 12 12 VAL C C 12 176.377 176.377 178.451 -2.074 19522 4100 1 7 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.060 0.028 19522 4101 1 7 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.256 -0.288 19522 4102 1 7 . 1 1 12 12 VAL H H 12 7.690 7.690 7.940 -0.250 19522 4103 1 7 . 1 1 13 13 VAL N N 13 116.258 116.258 115.852 0.406 19522 4104 1 7 . 1 1 13 13 VAL C C 13 178.416 178.416 177.273 1.143 19522 4105 1 7 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.808 0.104 19522 4106 1 7 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.758 -2.165 19522 4107 1 7 . 1 1 13 13 VAL H H 13 8.225 8.225 7.914 0.311 19522 4108 1 7 . 1 1 14 14 ASP N N 14 120.362 120.362 122.387 -2.025 19522 4109 1 7 . 1 1 14 14 ASP C C 14 177.040 177.040 177.782 -0.742 19522 4110 1 7 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.511 0.467 19522 4111 1 7 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.108 1.149 19522 4112 1 7 . 1 1 14 14 ASP H H 14 7.967 7.967 8.081 -0.114 19522 4113 1 7 . 1 1 15 15 PHE N N 15 119.747 119.747 120.250 -0.503 19522 4114 1 7 . 1 1 15 15 PHE C C 15 177.876 177.876 177.322 0.554 19522 4115 1 7 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.176 1.299 19522 4116 1 7 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.112 -0.530 19522 4117 1 7 . 1 1 15 15 PHE H H 15 8.308 8.308 8.315 -0.007 19522 4118 1 7 . 1 1 16 16 LEU N N 16 116.203 116.203 119.945 -3.742 19522 4119 1 7 . 1 1 16 16 LEU C C 16 175.618 175.618 178.394 -2.776 19522 4120 1 7 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.243 -0.665 19522 4121 1 7 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.790 -1.450 19522 4122 1 7 . 1 1 16 16 LEU H H 16 8.718 8.718 7.972 0.746 19522 4123 1 7 . 1 1 17 17 SER N N 17 113.607 113.607 115.287 -1.680 19522 4124 1 7 . 1 1 17 17 SER C C 17 176.980 176.980 176.411 0.569 19522 4125 1 7 . 1 1 17 17 SER CA C 17 62.150 62.150 62.284 -0.134 19522 4126 1 7 . 1 1 17 17 SER CB C 17 60.854 60.854 62.852 -1.998 19522 4127 1 7 . 1 1 17 17 SER H H 17 8.338 8.338 8.288 0.050 19522 4128 1 7 . 1 1 18 18 TYR N N 18 124.591 124.591 122.600 1.991 19522 4129 1 7 . 1 1 18 18 TYR C C 18 177.996 177.996 176.852 1.144 19522 4130 1 7 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.792 -1.514 19522 4131 1 7 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.458 -2.113 19522 4132 1 7 . 1 1 18 18 TYR H H 18 8.228 8.228 8.012 0.216 19522 4133 1 7 . 1 1 19 19 LYS N N 19 119.761 119.761 118.435 1.326 19522 4134 1 7 . 1 1 19 19 LYS C C 19 179.841 179.841 178.406 1.435 19522 4135 1 7 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.498 -1.415 19522 4136 1 7 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.382 -3.732 19522 4137 1 7 . 1 1 19 19 LYS H H 19 8.230 8.230 7.342 0.888 19522 4138 1 7 . 1 1 20 20 LEU N N 20 118.077 118.077 119.362 -1.285 19522 4139 1 7 . 1 1 20 20 LEU C C 20 179.654 179.654 177.243 2.411 19522 4140 1 7 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.611 1.367 19522 4141 1 7 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.714 -2.276 19522 4142 1 7 . 1 1 20 20 LEU H H 20 8.534 8.534 8.085 0.449 19522 4143 1 7 . 1 1 21 21 SER N N 21 117.073 117.073 111.253 5.820 19522 4144 1 7 . 1 1 21 21 SER C C 21 178.204 178.204 174.008 4.196 19522 4145 1 7 . 1 1 21 21 SER CA C 21 60.375 60.375 58.028 2.347 19522 4146 1 7 . 1 1 21 21 SER CB C 21 61.836 61.836 62.211 -0.375 19522 4147 1 7 . 1 1 21 21 SER H H 21 8.239 8.239 7.271 0.968 19522 4148 1 7 . 1 1 22 22 GLN N N 22 122.767 122.767 120.215 2.552 19522 4149 1 7 . 1 1 22 22 GLN C C 22 176.997 176.997 175.550 1.447 19522 4150 1 7 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.203 0.375 19522 4151 1 7 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.775 -2.643 19522 4152 1 7 . 1 1 22 22 GLN H H 22 7.632 7.632 7.551 0.081 19522 4153 1 7 . 1 1 23 23 LYS N N 23 116.016 116.016 116.544 -0.528 19522 4154 1 7 . 1 1 23 23 LYS C C 23 175.419 175.419 174.820 0.599 19522 4155 1 7 . 1 1 23 23 LYS CA C 23 52.943 52.943 55.949 -3.006 19522 4156 1 7 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.115 -3.067 19522 4157 1 7 . 1 1 23 23 LYS H H 23 7.167 7.167 8.292 -1.125 19522 4158 1 7 . 1 1 24 24 GLY N N 24 105.329 105.329 111.217 -5.888 19522 4159 1 7 . 1 1 24 24 GLY C C 24 173.680 173.680 172.678 1.002 19522 4160 1 7 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.061 -0.748 19522 4161 1 7 . 1 1 24 24 GLY H H 24 7.504 7.504 8.275 -0.771 19522 4162 1 7 . 1 1 25 25 TYR N N 25 119.528 119.528 114.056 5.472 19522 4163 1 7 . 1 1 25 25 TYR C C 25 174.779 174.779 174.178 0.601 19522 4164 1 7 . 1 1 25 25 TYR CA C 25 57.761 57.761 54.541 3.220 19522 4165 1 7 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.938 0.363 19522 4166 1 7 . 1 1 25 25 TYR H H 25 7.817 7.817 6.874 0.943 19522 4167 1 7 . 1 1 26 26 SER N N 26 115.815 115.815 121.416 -5.601 19522 4168 1 7 . 1 1 26 26 SER C C 26 173.860 173.860 176.078 -2.218 19522 4169 1 7 . 1 1 26 26 SER CA C 26 56.083 56.083 57.263 -1.180 19522 4170 1 7 . 1 1 26 26 SER CB C 26 63.275 63.275 63.698 -0.423 19522 4171 1 7 . 1 1 26 26 SER H H 26 8.475 8.475 8.202 0.273 19522 4172 1 7 . 1 1 27 27 TRP N N 27 126.476 126.476 122.144 4.332 19522 4173 1 7 . 1 1 27 27 TRP C C 27 174.141 174.141 177.501 -3.360 19522 4174 1 7 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.501 -0.101 19522 4175 1 7 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.169 0.041 19522 4176 1 7 . 1 1 27 27 TRP H H 27 8.720 8.720 7.867 0.853 19522 4177 1 7 . 1 1 28 28 SER N N 28 114.011 114.011 114.979 -0.968 19522 4178 1 7 . 1 1 28 28 SER C C 28 172.859 172.859 175.541 -2.682 19522 4179 1 7 . 1 1 28 28 SER CA C 28 66.186 66.186 60.494 5.692 19522 4180 1 7 . 1 1 28 28 SER CB C 28 61.996 61.996 62.358 -0.361 19522 4181 1 7 . 1 1 28 28 SER H H 28 8.034 8.034 7.790 0.244 19522 4182 1 7 . 1 1 29 29 GLN N N 29 120.138 120.138 119.526 0.612 19522 4183 1 7 . 1 1 29 29 GLN C C 29 177.250 177.250 176.248 1.002 19522 4184 1 7 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.574 -2.404 19522 4185 1 7 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.028 -0.689 19522 4186 1 7 . 1 1 29 29 GLN H H 29 7.323 7.323 7.509 -0.186 19522 4187 1 7 . 1 1 30 30 PHE N N 30 113.775 113.775 118.494 -4.719 19522 4188 1 7 . 1 1 30 30 PHE C C 30 176.814 176.814 176.560 0.254 19522 4189 1 7 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.803 -2.639 19522 4190 1 7 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.922 -2.082 19522 4191 1 7 . 1 1 30 30 PHE H H 30 6.778 6.778 7.565 -0.787 19522 4192 1 7 . 1 1 87 87 ALA N N 87 124.732 124.732 122.379 2.353 19522 4193 1 7 . 1 1 87 87 ALA C C 87 175.941 175.941 176.749 -0.808 19522 4194 1 7 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.023 -2.172 19522 4195 1 7 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.620 -2.054 19522 4196 1 7 . 1 1 87 87 ALA H H 87 8.079 8.079 8.530 -0.451 19522 4197 1 7 . 1 1 88 88 ALA N N 88 121.664 121.664 121.035 0.629 19522 4198 1 7 . 1 1 88 88 ALA C C 88 177.523 177.523 178.149 -0.626 19522 4199 1 7 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.551 3.600 19522 4200 1 7 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.382 0.081 19522 4201 1 7 . 1 1 88 88 ALA H H 88 7.951 7.951 7.861 0.090 19522 4202 1 7 . 1 1 89 89 VAL N N 89 119.415 119.415 118.893 0.522 19522 4203 1 7 . 1 1 89 89 VAL C C 89 176.857 176.857 176.692 0.165 19522 4204 1 7 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.186 -4.350 19522 4205 1 7 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.460 -0.389 19522 4206 1 7 . 1 1 89 89 VAL H H 89 8.161 8.161 8.400 -0.239 19522 4207 1 7 . 1 1 90 90 LYS N N 90 121.221 121.221 118.391 2.830 19522 4208 1 7 . 1 1 90 90 LYS C C 90 175.559 175.559 178.381 -2.822 19522 4209 1 7 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.753 -3.670 19522 4210 1 7 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.886 -2.973 19522 4211 1 7 . 1 1 90 90 LYS H H 90 8.529 8.529 8.219 0.310 19522 4212 1 7 . 1 1 91 91 GLN N N 91 115.879 115.879 118.733 -2.854 19522 4213 1 7 . 1 1 91 91 GLN C C 91 176.950 176.950 178.113 -1.163 19522 4214 1 7 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.215 -0.294 19522 4215 1 7 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.209 -0.974 19522 4216 1 7 . 1 1 91 91 GLN H H 91 7.973 7.973 7.508 0.465 19522 4217 1 7 . 1 1 92 92 ALA N N 92 119.538 119.538 123.744 -4.206 19522 4218 1 7 . 1 1 92 92 ALA C C 92 179.537 179.537 179.804 -0.267 19522 4219 1 7 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.369 -1.124 19522 4220 1 7 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.231 -1.464 19522 4221 1 7 . 1 1 92 92 ALA H H 92 7.661 7.661 8.486 -0.825 19522 4222 1 7 . 1 1 93 93 LEU N N 93 120.236 120.236 118.386 1.850 19522 4223 1 7 . 1 1 93 93 LEU C C 93 179.075 179.075 179.284 -0.209 19522 4224 1 7 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.275 0.512 19522 4225 1 7 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.531 0.026 19522 4226 1 7 . 1 1 93 93 LEU H H 93 8.544 8.544 8.248 0.296 19522 4227 1 7 . 1 1 94 94 ARG N N 94 118.361 118.361 120.575 -2.214 19522 4228 1 7 . 1 1 94 94 ARG C C 94 178.396 178.396 178.515 -0.119 19522 4229 1 7 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.672 0.064 19522 4230 1 7 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.720 -1.629 19522 4231 1 7 . 1 1 94 94 ARG H H 94 8.057 8.057 7.884 0.173 19522 4232 1 7 . 1 1 95 95 GLU N N 95 115.851 115.851 119.279 -3.428 19522 4233 1 7 . 1 1 95 95 GLU C C 95 179.794 179.794 179.051 0.743 19522 4234 1 7 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.772 -1.555 19522 4235 1 7 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.408 -1.317 19522 4236 1 7 . 1 1 95 95 GLU H H 95 7.737 7.737 8.570 -0.833 19522 4237 1 7 . 1 1 96 96 ALA N N 96 122.958 122.958 120.947 2.011 19522 4238 1 7 . 1 1 96 96 ALA C C 96 181.313 181.313 180.070 1.243 19522 4239 1 7 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.004 -0.702 19522 4240 1 7 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.437 -0.734 19522 4241 1 7 . 1 1 96 96 ALA H H 96 8.824 8.824 7.851 0.973 19522 4242 1 7 . 1 1 97 97 GLY N N 97 108.363 108.363 106.910 1.453 19522 4243 1 7 . 1 1 97 97 GLY C C 97 178.177 178.177 176.226 1.951 19522 4244 1 7 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.277 -1.286 19522 4245 1 7 . 1 1 97 97 GLY H H 97 9.088 9.088 8.300 0.788 19522 4246 1 7 . 1 1 98 98 ASP N N 98 122.197 122.197 122.143 0.054 19522 4247 1 7 . 1 1 98 98 ASP C C 98 178.715 178.715 178.815 -0.100 19522 4248 1 7 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.361 -0.342 19522 4249 1 7 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.982 -2.503 19522 4250 1 7 . 1 1 98 98 ASP H H 98 8.102 8.102 8.405 -0.303 19522 4251 1 7 . 1 1 99 99 GLU N N 99 120.103 120.103 119.007 1.096 19522 4252 1 7 . 1 1 99 99 GLU C C 99 179.513 179.513 178.477 1.036 19522 4253 1 7 . 1 1 99 99 GLU CA C 99 53.752 53.752 58.792 -5.040 19522 4254 1 7 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.641 -1.150 19522 4255 1 7 . 1 1 99 99 GLU H H 99 8.115 8.115 7.887 0.228 19522 4256 1 7 . 1 1 100 100 PHE N N 100 120.218 120.218 118.879 1.339 19522 4257 1 7 . 1 1 100 100 PHE C C 100 178.618 178.618 177.991 0.627 19522 4258 1 7 . 1 1 100 100 PHE CA C 100 57.460 57.460 58.267 -0.807 19522 4259 1 7 . 1 1 100 100 PHE CB C 100 40.336 40.336 40.056 0.280 19522 4260 1 7 . 1 1 100 100 PHE H H 100 8.535 8.535 7.734 0.801 19522 4261 1 7 . 1 1 101 101 GLU N N 101 117.531 117.531 121.925 -4.394 19522 4262 1 7 . 1 1 101 101 GLU C C 101 177.339 177.339 178.770 -1.431 19522 4263 1 7 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.211 -2.610 19522 4264 1 7 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.743 -1.150 19522 4265 1 7 . 1 1 101 101 GLU H H 101 8.032 8.032 8.648 -0.616 19522 4266 1 7 . 1 1 102 102 LEU N N 102 116.641 116.641 115.742 0.899 19522 4267 1 7 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.777 -1.189 19522 4268 1 7 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.627 -0.854 19522 4269 1 7 . 1 1 102 102 LEU H H 102 7.369 7.369 7.684 -0.315 19522 4270 1 7 . 1 1 103 103 ARG N N 103 115.854 115.854 118.275 -2.421 19522 4271 1 7 . 1 1 103 103 ARG C C 103 177.605 177.605 177.746 -0.141 19522 4272 1 7 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.271 0.716 19522 4273 1 7 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.502 -0.352 19522 4274 1 7 . 1 1 103 103 ARG H H 103 7.472 7.472 8.047 -0.575 19522 4275 1 7 . 1 1 104 104 TYR N N 104 119.078 119.078 119.597 -0.519 19522 4276 1 7 . 1 1 104 104 TYR C C 104 174.962 174.962 177.298 -2.336 19522 4277 1 7 . 1 1 104 104 TYR CA C 104 60.841 60.841 60.806 0.035 19522 4278 1 7 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.800 -2.172 19522 4279 1 7 . 1 1 104 104 TYR H H 104 7.904 7.904 7.974 -0.070 19522 4280 1 7 . 1 1 105 105 ARG N N 105 119.378 119.378 118.466 0.912 19522 4281 1 7 . 1 1 105 105 ARG C C 105 178.395 178.395 177.014 1.381 19522 4282 1 7 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.697 1.224 19522 4283 1 7 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.004 -1.210 19522 4284 1 7 . 1 1 105 105 ARG H H 105 7.195 7.195 8.503 -1.308 19522 4285 1 7 . 1 1 106 106 ARG N N 106 118.875 118.875 119.645 -0.770 19522 4286 1 7 . 1 1 106 106 ARG C C 106 177.257 177.257 176.164 1.093 19522 4287 1 7 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.736 1.179 19522 4288 1 7 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.402 -2.848 19522 4289 1 7 . 1 1 106 106 ARG H H 106 8.452 8.452 7.859 0.593 19522 4290 1 7 . 1 1 107 107 ALA N N 107 121.864 121.864 122.111 -0.247 19522 4291 1 7 . 1 1 107 107 ALA C C 107 175.701 175.701 176.519 -0.818 19522 4292 1 7 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.136 0.508 19522 4293 1 7 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.186 -0.123 19522 4294 1 7 . 1 1 107 107 ALA H H 107 7.839 7.839 7.946 -0.107 19522 4295 1 7 . 1 1 108 108 PHE N N 108 121.984 121.984 119.862 2.122 19522 4296 1 7 . 1 1 108 108 PHE C C 108 174.982 174.982 174.430 0.552 19522 4297 1 7 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.630 0.412 19522 4298 1 7 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.097 1.740 19522 4299 1 7 . 1 1 108 108 PHE H H 108 8.392 8.392 7.854 0.538 19522 4300 1 7 . 1 1 109 109 SER N N 109 114.585 114.585 116.706 -2.121 19522 4301 1 7 . 1 1 109 109 SER C C 109 175.421 175.421 174.569 0.852 19522 4302 1 7 . 1 1 109 109 SER CA C 109 55.044 55.044 56.581 -1.537 19522 4303 1 7 . 1 1 109 109 SER CB C 109 63.241 63.241 66.101 -2.860 19522 4304 1 7 . 1 1 109 109 SER H H 109 7.810 7.810 8.354 -0.544 19522 4305 1 7 . 1 1 110 110 ASP N N 110 119.725 119.725 121.998 -2.273 19522 4306 1 7 . 1 1 110 110 ASP C C 110 178.196 178.196 178.728 -0.532 19522 4307 1 7 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.200 -1.220 19522 4308 1 7 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.506 -2.666 19522 4309 1 7 . 1 1 110 110 ASP H H 110 8.380 8.380 8.501 -0.121 19522 4310 1 7 . 1 1 111 111 LEU N N 111 120.827 120.827 119.645 1.182 19522 4311 1 7 . 1 1 111 111 LEU C C 111 178.804 178.804 178.392 0.412 19522 4312 1 7 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.475 -1.376 19522 4313 1 7 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.424 -0.627 19522 4314 1 7 . 1 1 111 111 LEU H H 111 7.783 7.783 8.265 -0.482 19522 4315 1 7 . 1 1 112 112 THR N N 112 109.101 109.101 113.483 -4.382 19522 4316 1 7 . 1 1 112 112 THR C C 112 177.157 177.157 177.260 -0.103 19522 4317 1 7 . 1 1 112 112 THR CA C 112 64.690 64.690 66.650 -1.960 19522 4318 1 7 . 1 1 112 112 THR CB C 112 67.407 67.407 68.382 -0.975 19522 4319 1 7 . 1 1 112 112 THR H H 112 8.331 8.331 7.673 0.658 19522 4320 1 7 . 1 1 113 113 SER N N 113 115.811 115.811 117.713 -1.902 19522 4321 1 7 . 1 1 113 113 SER C C 113 175.319 175.319 176.237 -0.918 19522 4322 1 7 . 1 1 113 113 SER CA C 113 59.736 59.736 60.893 -1.157 19522 4323 1 7 . 1 1 113 113 SER CB C 113 62.213 62.213 63.026 -0.813 19522 4324 1 7 . 1 1 113 113 SER H H 113 7.645 7.645 7.659 -0.014 19522 4325 1 7 . 1 1 114 114 GLN N N 114 118.421 118.421 121.789 -3.368 19522 4326 1 7 . 1 1 114 114 GLN C C 114 175.978 175.978 177.750 -1.772 19522 4327 1 7 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.285 -1.826 19522 4328 1 7 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.619 -0.608 19522 4329 1 7 . 1 1 114 114 GLN H H 114 7.614 7.614 7.977 -0.363 19522 4330 1 7 . 1 1 115 115 LEU N N 115 118.236 118.236 117.907 0.329 19522 4331 1 7 . 1 1 115 115 LEU C C 115 176.198 176.198 177.438 -1.240 19522 4332 1 7 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.899 -1.095 19522 4333 1 7 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.754 -0.199 19522 4334 1 7 . 1 1 115 115 LEU H H 115 7.383 7.383 8.265 -0.882 19522 4335 1 7 . 1 1 116 116 HIS N N 116 119.694 119.694 116.806 2.888 19522 4336 1 7 . 1 1 116 116 HIS C C 116 174.122 174.122 174.279 -0.157 19522 4337 1 7 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.100 -0.721 19522 4338 1 7 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.210 -0.959 19522 4339 1 7 . 1 1 116 116 HIS H H 116 8.158 8.158 7.904 0.254 19522 4340 1 7 . 1 1 117 117 ILE N N 117 122.347 122.347 113.838 8.509 19522 4341 1 7 . 1 1 117 117 ILE C C 117 176.377 176.377 175.333 1.044 19522 4342 1 7 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.983 -1.266 19522 4343 1 7 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.704 1.520 19522 4344 1 7 . 1 1 117 117 ILE H H 117 8.658 8.658 8.086 0.572 19522 4345 1 7 . 1 1 118 118 THR N N 118 115.798 115.798 118.642 -2.844 19522 4346 1 7 . 1 1 118 118 THR CA C 118 57.921 57.921 59.853 -1.932 19522 4347 1 7 . 1 1 118 118 THR CB C 118 63.434 63.434 68.689 -5.255 19522 4348 1 7 . 1 1 118 118 THR H H 118 8.227 8.227 8.112 0.115 19522 4349 1 7 . 1 1 120 120 GLY N N 120 109.574 109.574 108.014 1.560 19522 4350 1 7 . 1 1 120 120 GLY C C 120 180.495 180.495 173.700 6.795 19522 4351 1 7 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.568 -1.175 19522 4352 1 7 . 1 1 120 120 GLY H H 120 8.429 8.429 8.082 0.347 19522 4353 1 7 . 1 1 121 121 THR N N 121 113.419 113.419 116.167 -2.748 19522 4354 1 7 . 1 1 121 121 THR C C 121 178.096 178.096 173.841 4.255 19522 4355 1 7 . 1 1 121 121 THR CA C 121 62.041 62.041 61.961 0.080 19522 4356 1 7 . 1 1 121 121 THR CB C 121 63.994 63.994 66.669 -2.675 19522 4357 1 7 . 1 1 121 121 THR H H 121 7.774 7.774 8.257 -0.483 19522 4358 1 7 . 1 1 122 122 ALA N N 122 121.876 121.876 124.460 -2.584 19522 4359 1 7 . 1 1 122 122 ALA C C 122 177.397 177.397 176.829 0.568 19522 4360 1 7 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.630 -1.006 19522 4361 1 7 . 1 1 122 122 ALA CB C 122 18.525 18.525 21.231 -2.706 19522 4362 1 7 . 1 1 122 122 ALA H H 122 7.944 7.944 8.333 -0.389 19522 4363 1 7 . 1 1 123 123 TYR N N 123 120.931 120.931 115.143 5.788 19522 4364 1 7 . 1 1 123 123 TYR C C 123 176.060 176.060 177.237 -1.177 19522 4365 1 7 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.713 1.342 19522 4366 1 7 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.406 -1.924 19522 4367 1 7 . 1 1 123 123 TYR H H 123 8.748 8.748 7.595 1.153 19522 4368 1 7 . 1 1 124 124 GLN N N 124 115.002 115.002 121.457 -6.455 19522 4369 1 7 . 1 1 124 124 GLN C C 124 178.098 178.098 178.390 -0.292 19522 4370 1 7 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.252 -0.612 19522 4371 1 7 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.539 -2.023 19522 4372 1 7 . 1 1 124 124 GLN H H 124 8.454 8.454 7.435 1.019 19522 4373 1 7 . 1 1 125 125 SER N N 125 114.135 114.135 115.355 -1.220 19522 4374 1 7 . 1 1 125 125 SER C C 125 179.557 179.557 176.129 3.428 19522 4375 1 7 . 1 1 125 125 SER CA C 125 61.357 61.357 61.358 -0.001 19522 4376 1 7 . 1 1 125 125 SER CB C 125 61.357 61.357 62.775 -1.418 19522 4377 1 7 . 1 1 125 125 SER H H 125 7.283 7.283 7.620 -0.337 19522 4378 1 7 . 1 1 126 126 PHE N N 126 113.327 113.327 123.681 -10.354 19522 4379 1 7 . 1 1 126 126 PHE C C 126 174.879 174.879 176.841 -1.962 19522 4380 1 7 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.954 0.163 19522 4381 1 7 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.059 -1.356 19522 4382 1 7 . 1 1 126 126 PHE H H 126 6.606 6.606 8.006 -1.400 19522 4383 1 7 . 1 1 127 127 GLU N N 127 119.398 119.398 118.579 0.819 19522 4384 1 7 . 1 1 127 127 GLU C C 127 176.857 176.857 179.043 -2.186 19522 4385 1 7 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.639 -1.581 19522 4386 1 7 . 1 1 127 127 GLU CB C 127 28.890 28.890 28.999 -0.109 19522 4387 1 7 . 1 1 127 127 GLU H H 127 8.546 8.546 7.981 0.565 19522 4388 1 7 . 1 1 128 128 GLN N N 128 114.754 114.754 119.460 -4.706 19522 4389 1 7 . 1 1 128 128 GLN C C 128 178.356 178.356 178.723 -0.367 19522 4390 1 7 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.510 -0.429 19522 4391 1 7 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.429 -1.434 19522 4392 1 7 . 1 1 128 128 GLN H H 128 7.525 7.525 7.966 -0.441 19522 4393 1 7 . 1 1 129 129 VAL N N 129 118.194 118.194 119.676 -1.482 19522 4394 1 7 . 1 1 129 129 VAL C C 129 177.756 177.756 178.188 -0.432 19522 4395 1 7 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.295 -1.205 19522 4396 1 7 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.460 -1.211 19522 4397 1 7 . 1 1 129 129 VAL H H 129 7.036 7.036 7.733 -0.697 19522 4398 1 7 . 1 1 130 130 VAL N N 130 119.459 119.459 119.521 -0.062 19522 4399 1 7 . 1 1 130 130 VAL C C 130 177.714 177.714 177.916 -0.202 19522 4400 1 7 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.564 -1.155 19522 4401 1 7 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.636 -1.164 19522 4402 1 7 . 1 1 130 130 VAL H H 130 7.831 7.831 8.207 -0.376 19522 4403 1 7 . 1 1 131 131 ASN N N 131 117.212 117.212 117.093 0.119 19522 4404 1 7 . 1 1 131 131 ASN C C 131 178.775 178.775 177.220 1.555 19522 4405 1 7 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.429 -1.786 19522 4406 1 7 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.617 -2.352 19522 4407 1 7 . 1 1 131 131 ASN H H 131 8.374 8.374 8.401 -0.027 19522 4408 1 7 . 1 1 132 132 GLU N N 132 118.393 118.393 119.769 -1.376 19522 4409 1 7 . 1 1 132 132 GLU C C 132 179.097 179.097 178.568 0.529 19522 4410 1 7 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.999 -1.021 19522 4411 1 7 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.211 -1.839 19522 4412 1 7 . 1 1 132 132 GLU H H 132 7.226 7.226 7.518 -0.292 19522 4413 1 7 . 1 1 133 133 LEU N N 133 120.835 120.835 119.673 1.162 19522 4414 1 7 . 1 1 133 133 LEU C C 133 178.016 178.016 177.991 0.025 19522 4415 1 7 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.556 -0.754 19522 4416 1 7 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.557 -1.776 19522 4417 1 7 . 1 1 133 133 LEU H H 133 7.467 7.467 7.537 -0.070 19522 4418 1 7 . 1 1 134 134 PHE N N 134 112.847 112.847 117.999 -5.152 19522 4419 1 7 . 1 1 134 134 PHE C C 134 176.258 176.258 177.439 -1.181 19522 4420 1 7 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.844 -4.305 19522 4421 1 7 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.591 -0.728 19522 4422 1 7 . 1 1 134 134 PHE H H 134 6.926 6.926 7.600 -0.674 19522 4423 1 7 . 1 1 135 135 ARG N N 135 123.664 123.664 118.122 5.542 19522 4424 1 7 . 1 1 135 135 ARG C C 135 176.957 176.957 177.288 -0.331 19522 4425 1 7 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.499 0.438 19522 4426 1 7 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.360 -2.349 19522 4427 1 7 . 1 1 135 135 ARG H H 135 7.144 7.144 7.853 -0.709 19522 4428 1 7 . 1 1 136 136 ASP N N 136 116.448 116.448 116.073 0.375 19522 4429 1 7 . 1 1 136 136 ASP C C 136 175.339 175.339 176.947 -1.608 19522 4430 1 7 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.485 -1.142 19522 4431 1 7 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.436 -4.838 19522 4432 1 7 . 1 1 136 136 ASP H H 136 8.607 8.607 7.579 1.028 19522 4433 1 7 . 1 1 137 137 GLY N N 137 108.506 108.506 108.561 -0.055 19522 4434 1 7 . 1 1 137 137 GLY C C 137 172.324 172.324 173.654 -1.330 19522 4435 1 7 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.434 -1.639 19522 4436 1 7 . 1 1 137 137 GLY H H 137 7.468 7.468 8.252 -0.784 19522 4437 1 7 . 1 1 138 138 VAL N N 138 120.519 120.519 123.044 -2.525 19522 4438 1 7 . 1 1 138 138 VAL C C 138 174.160 174.160 174.830 -0.670 19522 4439 1 7 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.717 0.176 19522 4440 1 7 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.387 1.421 19522 4441 1 7 . 1 1 138 138 VAL H H 138 8.181 8.181 8.331 -0.150 19522 4442 1 7 . 1 1 139 139 ASN N N 139 115.573 115.573 122.262 -6.689 19522 4443 1 7 . 1 1 139 139 ASN C C 139 174.959 174.959 175.510 -0.551 19522 4444 1 7 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.285 -0.260 19522 4445 1 7 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.224 -1.585 19522 4446 1 7 . 1 1 139 139 ASN H H 139 6.261 6.261 7.761 -1.500 19522 4447 1 7 . 1 1 140 140 TRP N N 140 118.231 118.231 126.651 -8.420 19522 4448 1 7 . 1 1 140 140 TRP C C 140 177.976 177.976 177.644 0.332 19522 4449 1 7 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.182 0.953 19522 4450 1 7 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.196 -0.587 19522 4451 1 7 . 1 1 140 140 TRP H H 140 8.413 8.413 9.152 -0.739 19522 4452 1 7 . 1 1 141 141 GLY N N 141 106.238 106.238 105.845 0.393 19522 4453 1 7 . 1 1 141 141 GLY C C 141 177.297 177.297 175.428 1.869 19522 4454 1 7 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.992 0.479 19522 4455 1 7 . 1 1 141 141 GLY H H 141 8.494 8.494 9.193 -0.699 19522 4456 1 7 . 1 1 142 142 ARG N N 142 121.156 121.156 122.041 -0.885 19522 4457 1 7 . 1 1 142 142 ARG C C 142 177.457 177.457 177.945 -0.488 19522 4458 1 7 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.405 0.093 19522 4459 1 7 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.215 -0.606 19522 4460 1 7 . 1 1 142 142 ARG H H 142 8.104 8.104 7.546 0.558 19522 4461 1 7 . 1 1 143 143 ILE N N 143 120.888 120.888 120.139 0.749 19522 4462 1 7 . 1 1 143 143 ILE C C 143 177.756 177.756 177.060 0.696 19522 4463 1 7 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.243 1.646 19522 4464 1 7 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.856 -2.253 19522 4465 1 7 . 1 1 143 143 ILE H H 143 7.696 7.696 8.066 -0.370 19522 4466 1 7 . 1 1 144 144 VAL N N 144 120.958 120.958 119.955 1.003 19522 4467 1 7 . 1 1 144 144 VAL C C 144 177.557 177.557 177.924 -0.367 19522 4468 1 7 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.816 0.272 19522 4469 1 7 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.392 -0.303 19522 4470 1 7 . 1 1 144 144 VAL H H 144 8.229 8.229 7.870 0.359 19522 4471 1 7 . 1 1 145 145 ALA N N 145 121.229 121.229 123.041 -1.812 19522 4472 1 7 . 1 1 145 145 ALA C C 145 177.999 177.999 179.229 -1.230 19522 4473 1 7 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.886 -0.824 19522 4474 1 7 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.139 -1.156 19522 4475 1 7 . 1 1 145 145 ALA H H 145 7.579 7.579 7.477 0.102 19522 4476 1 7 . 1 1 146 146 PHE N N 146 119.338 119.338 120.184 -0.846 19522 4477 1 7 . 1 1 146 146 PHE C C 146 179.432 179.432 177.138 2.294 19522 4478 1 7 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.796 -0.627 19522 4479 1 7 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.989 -1.126 19522 4480 1 7 . 1 1 146 146 PHE H H 146 7.985 7.985 8.181 -0.196 19522 4481 1 7 . 1 1 147 147 PHE N N 147 119.900 119.900 117.310 2.590 19522 4482 1 7 . 1 1 147 147 PHE C C 147 177.399 177.399 177.827 -0.428 19522 4483 1 7 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.425 -2.307 19522 4484 1 7 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.079 1.359 19522 4485 1 7 . 1 1 147 147 PHE H H 147 7.824 7.824 8.311 -0.487 19522 4486 1 7 . 1 1 148 148 SER N N 148 114.725 114.725 116.671 -1.946 19522 4487 1 7 . 1 1 148 148 SER C C 148 177.357 177.357 176.169 1.188 19522 4488 1 7 . 1 1 148 148 SER CA C 148 63.115 63.115 62.099 1.016 19522 4489 1 7 . 1 1 148 148 SER CB C 148 61.893 61.893 62.083 -0.190 19522 4490 1 7 . 1 1 148 148 SER H H 148 8.423 8.423 7.935 0.488 19522 4491 1 7 . 1 1 149 149 PHE N N 149 124.361 124.361 121.290 3.071 19522 4492 1 7 . 1 1 149 149 PHE C C 149 176.338 176.338 178.105 -1.767 19522 4493 1 7 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.632 -2.296 19522 4494 1 7 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.543 -1.262 19522 4495 1 7 . 1 1 149 149 PHE H H 149 9.097 9.097 8.292 0.805 19522 4496 1 7 . 1 1 150 150 GLY N N 150 105.935 105.935 105.927 0.008 19522 4497 1 7 . 1 1 150 150 GLY C C 150 176.398 176.398 176.176 0.222 19522 4498 1 7 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.682 0.347 19522 4499 1 7 . 1 1 150 150 GLY H H 150 7.937 7.937 7.884 0.053 19522 4500 1 7 . 1 1 151 151 GLY N N 151 107.449 107.449 110.248 -2.799 19522 4501 1 7 . 1 1 151 151 GLY C C 151 174.300 174.300 175.894 -1.594 19522 4502 1 7 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.767 0.183 19522 4503 1 7 . 1 1 151 151 GLY H H 151 8.803 8.803 8.419 0.384 19522 4504 1 7 . 1 1 152 152 ALA N N 152 124.384 124.384 124.847 -0.463 19522 4505 1 7 . 1 1 152 152 ALA C C 152 177.636 177.636 179.302 -1.666 19522 4506 1 7 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.650 -0.508 19522 4507 1 7 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.366 -1.303 19522 4508 1 7 . 1 1 152 152 ALA H H 152 8.232 8.232 7.966 0.266 19522 4509 1 7 . 1 1 153 153 LEU N N 153 118.871 118.871 120.160 -1.289 19522 4510 1 7 . 1 1 153 153 LEU C C 153 179.937 179.937 178.684 1.253 19522 4511 1 7 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.716 -1.128 19522 4512 1 7 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.727 -1.067 19522 4513 1 7 . 1 1 153 153 LEU H H 153 8.159 8.159 7.773 0.386 19522 4514 1 7 . 1 1 154 154 CYS N N 154 118.554 118.554 118.749 -0.195 19522 4515 1 7 . 1 1 154 154 CYS C C 154 177.332 177.332 176.963 0.369 19522 4516 1 7 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.695 -2.399 19522 4517 1 7 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.047 -0.810 19522 4518 1 7 . 1 1 154 154 CYS H H 154 8.049 8.049 8.520 -0.471 19522 4519 1 7 . 1 1 155 155 VAL N N 155 118.474 118.474 122.112 -3.638 19522 4520 1 7 . 1 1 155 155 VAL C C 155 175.723 175.723 178.442 -2.719 19522 4521 1 7 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.017 -0.888 19522 4522 1 7 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.809 -0.081 19522 4523 1 7 . 1 1 155 155 VAL H H 155 8.016 8.016 7.471 0.545 19522 4524 1 7 . 1 1 156 156 GLU N N 156 119.114 119.114 118.458 0.656 19522 4525 1 7 . 1 1 156 156 GLU C C 156 178.036 178.036 179.007 -0.971 19522 4526 1 7 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.168 3.110 19522 4527 1 7 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.920 -1.468 19522 4528 1 7 . 1 1 156 156 GLU H H 156 8.025 8.025 7.929 0.096 19522 4529 1 7 . 1 1 157 157 SER N N 157 113.391 113.391 116.391 -3.000 19522 4530 1 7 . 1 1 157 157 SER C C 157 175.299 175.299 176.190 -0.891 19522 4531 1 7 . 1 1 157 157 SER CA C 157 62.373 62.373 62.262 0.111 19522 4532 1 7 . 1 1 157 157 SER CB C 157 60.854 60.854 63.216 -2.362 19522 4533 1 7 . 1 1 157 157 SER H H 157 7.629 7.629 7.864 -0.235 19522 4534 1 7 . 1 1 158 158 VAL N N 158 120.493 120.493 121.072 -0.579 19522 4535 1 7 . 1 1 158 158 VAL C C 158 173.977 173.977 177.423 -3.446 19522 4536 1 7 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.406 1.323 19522 4537 1 7 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.962 -1.353 19522 4538 1 7 . 1 1 158 158 VAL H H 158 7.374 7.374 7.486 -0.112 19522 4539 1 7 . 1 1 159 159 ASP N N 159 123.215 123.215 121.703 1.512 19522 4540 1 7 . 1 1 159 159 ASP C C 159 177.696 177.696 177.553 0.143 19522 4541 1 7 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.577 0.042 19522 4542 1 7 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.944 -1.026 19522 4543 1 7 . 1 1 159 159 ASP H H 159 8.309 8.309 8.310 -0.001 19522 4544 1 7 . 1 1 160 160 LYS N N 160 115.648 115.648 117.990 -2.342 19522 4545 1 7 . 1 1 160 160 LYS C C 160 174.839 174.839 175.533 -0.694 19522 4546 1 7 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.673 -0.572 19522 4547 1 7 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.020 -2.532 19522 4548 1 7 . 1 1 160 160 LYS H H 160 7.541 7.541 7.447 0.094 19522 4549 1 7 . 1 1 161 161 GLU N N 161 113.911 113.911 118.405 -4.494 19522 4550 1 7 . 1 1 161 161 GLU C C 161 175.781 175.781 176.519 -0.738 19522 4551 1 7 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.201 -1.422 19522 4552 1 7 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.056 -3.002 19522 4553 1 7 . 1 1 161 161 GLU H H 161 7.842 7.842 8.026 -0.184 19522 4554 1 7 . 1 1 162 162 MET N N 162 118.882 118.882 116.813 2.069 19522 4555 1 7 . 1 1 162 162 MET C C 162 176.597 176.597 177.307 -0.710 19522 4556 1 7 . 1 1 162 162 MET CA C 162 52.646 52.646 57.239 -4.593 19522 4557 1 7 . 1 1 162 162 MET CB C 162 30.488 30.488 34.109 -3.621 19522 4558 1 7 . 1 1 162 162 MET H H 162 8.420 8.420 8.461 -0.041 19522 4559 1 7 . 1 1 163 163 GLN N N 163 119.366 119.366 117.756 1.610 19522 4560 1 7 . 1 1 163 163 GLN C C 163 177.397 177.397 176.868 0.529 19522 4561 1 7 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.674 0.502 19522 4562 1 7 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.242 -1.149 19522 4563 1 7 . 1 1 163 163 GLN H H 163 8.615 8.615 8.114 0.501 19522 4564 1 7 . 1 1 164 164 VAL N N 164 116.957 116.957 120.765 -3.808 19522 4565 1 7 . 1 1 164 164 VAL C C 164 175.459 175.459 177.593 -2.134 19522 4566 1 7 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.864 -3.012 19522 4567 1 7 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.341 -1.252 19522 4568 1 7 . 1 1 164 164 VAL H H 164 7.938 7.938 8.113 -0.175 19522 4569 1 7 . 1 1 165 165 LEU N N 165 117.124 117.124 118.898 -1.774 19522 4570 1 7 . 1 1 165 165 LEU C C 165 177.714 177.714 178.402 -0.688 19522 4571 1 7 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.004 -2.321 19522 4572 1 7 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.972 -2.294 19522 4573 1 7 . 1 1 165 165 LEU H H 165 7.741 7.741 7.739 0.002 19522 4574 1 7 . 1 1 166 166 VAL N N 166 119.434 119.434 118.096 1.338 19522 4575 1 7 . 1 1 166 166 VAL C C 166 176.817 176.817 177.915 -1.098 19522 4576 1 7 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.297 1.551 19522 4577 1 7 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.283 -1.913 19522 4578 1 7 . 1 1 166 166 VAL H H 166 7.342 7.342 7.773 -0.431 19522 4579 1 7 . 1 1 167 167 SER N N 167 110.775 110.775 116.541 -5.766 19522 4580 1 7 . 1 1 167 167 SER C C 167 176.737 176.737 175.780 0.957 19522 4581 1 7 . 1 1 167 167 SER CA C 167 60.215 60.215 61.298 -1.083 19522 4582 1 7 . 1 1 167 167 SER CB C 167 61.654 61.654 62.774 -1.120 19522 4583 1 7 . 1 1 167 167 SER H H 167 8.099 8.099 8.615 -0.516 19522 4584 1 7 . 1 1 168 168 ARG N N 168 122.916 122.916 120.225 2.691 19522 4585 1 7 . 1 1 168 168 ARG C C 168 175.439 175.439 177.429 -1.990 19522 4586 1 7 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.511 4.104 19522 4587 1 7 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.253 -2.242 19522 4588 1 7 . 1 1 168 168 ARG H H 168 6.596 6.596 7.513 -0.917 19522 4589 1 7 . 1 1 169 169 ILE N N 169 118.335 118.335 121.086 -2.751 19522 4590 1 7 . 1 1 169 169 ILE C C 169 177.779 177.779 177.740 0.039 19522 4591 1 7 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.641 -1.510 19522 4592 1 7 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.771 -0.810 19522 4593 1 7 . 1 1 169 169 ILE H H 169 7.928 7.928 7.629 0.299 19522 4594 1 7 . 1 1 170 170 ALA N N 170 119.271 119.271 121.433 -2.162 19522 4595 1 7 . 1 1 170 170 ALA C C 170 179.195 179.195 179.165 0.030 19522 4596 1 7 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.486 -1.584 19522 4597 1 7 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.905 -1.081 19522 4598 1 7 . 1 1 170 170 ALA H H 170 7.672 7.672 8.066 -0.394 19522 4599 1 7 . 1 1 171 171 ALA N N 171 120.393 120.393 122.101 -1.708 19522 4600 1 7 . 1 1 171 171 ALA C C 171 180.833 180.833 179.466 1.367 19522 4601 1 7 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.394 -0.252 19522 4602 1 7 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.755 -1.251 19522 4603 1 7 . 1 1 171 171 ALA H H 171 7.258 7.258 7.124 0.134 19522 4604 1 7 . 1 1 172 172 TRP N N 172 121.501 121.501 118.161 3.340 19522 4605 1 7 . 1 1 172 172 TRP C C 172 179.350 179.350 178.585 0.765 19522 4606 1 7 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.830 -1.811 19522 4607 1 7 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.713 -1.421 19522 4608 1 7 . 1 1 172 172 TRP H H 172 8.936 8.936 7.658 1.278 19522 4609 1 7 . 1 1 173 173 MET N N 173 117.211 117.211 119.747 -2.536 19522 4610 1 7 . 1 1 173 173 MET C C 173 176.158 176.158 178.186 -2.028 19522 4611 1 7 . 1 1 173 173 MET CA C 173 60.238 60.238 59.227 1.012 19522 4612 1 7 . 1 1 173 173 MET CB C 173 28.833 28.833 32.942 -4.109 19522 4613 1 7 . 1 1 173 173 MET H H 173 8.885 8.885 8.675 0.210 19522 4614 1 7 . 1 1 174 174 ALA N N 174 120.901 120.901 120.411 0.490 19522 4615 1 7 . 1 1 174 174 ALA C C 174 178.875 178.875 179.501 -0.626 19522 4616 1 7 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.521 -0.660 19522 4617 1 7 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.178 -1.491 19522 4618 1 7 . 1 1 174 174 ALA H H 174 8.206 8.206 8.263 -0.057 19522 4619 1 7 . 1 1 175 175 THR N N 175 116.591 116.591 114.137 2.454 19522 4620 1 7 . 1 1 175 175 THR C C 175 174.782 174.782 176.575 -1.793 19522 4621 1 7 . 1 1 175 175 THR CA C 175 66.209 66.209 65.350 0.859 19522 4622 1 7 . 1 1 175 175 THR CB C 175 68.046 68.046 68.641 -0.595 19522 4623 1 7 . 1 1 175 175 THR H H 175 8.530 8.530 7.648 0.882 19522 4624 1 7 . 1 1 176 176 TYR N N 176 123.375 123.375 124.279 -0.904 19522 4625 1 7 . 1 1 176 176 TYR C C 176 179.255 179.255 177.219 2.036 19522 4626 1 7 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.309 1.064 19522 4627 1 7 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.721 -0.858 19522 4628 1 7 . 1 1 176 176 TYR H H 176 8.822 8.822 8.383 0.439 19522 4629 1 7 . 1 1 177 177 LEU N N 177 119.511 119.511 120.553 -1.042 19522 4630 1 7 . 1 1 177 177 LEU C C 177 177.979 177.979 178.409 -0.430 19522 4631 1 7 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.707 -0.250 19522 4632 1 7 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.919 -0.643 19522 4633 1 7 . 1 1 177 177 LEU H H 177 8.759 8.759 8.850 -0.091 19522 4634 1 7 . 1 1 178 178 ASN N N 178 117.233 117.233 116.744 0.489 19522 4635 1 7 . 1 1 178 178 ASN C C 178 176.021 176.021 176.877 -0.856 19522 4636 1 7 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.225 -0.382 19522 4637 1 7 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.391 -0.288 19522 4638 1 7 . 1 1 178 178 ASN H H 178 8.333 8.333 7.814 0.519 19522 4639 1 7 . 1 1 179 179 ASP N N 179 115.264 115.264 119.091 -3.827 19522 4640 1 7 . 1 1 179 179 ASP C C 179 177.557 177.557 177.311 0.246 19522 4641 1 7 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.882 -0.982 19522 4642 1 7 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.321 -2.042 19522 4643 1 7 . 1 1 179 179 ASP H H 179 8.451 8.451 8.100 0.351 19522 4644 1 7 . 1 1 180 180 HIS N N 180 111.728 111.728 116.319 -4.591 19522 4645 1 7 . 1 1 180 180 HIS C C 180 175.479 175.479 177.102 -1.623 19522 4646 1 7 . 1 1 180 180 HIS CA C 180 55.421 55.421 57.510 -2.089 19522 4647 1 7 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.376 -2.767 19522 4648 1 7 . 1 1 180 180 HIS H H 180 8.073 8.073 7.701 0.372 19522 4649 1 7 . 1 1 181 181 LEU N N 181 116.833 116.833 121.188 -4.355 19522 4650 1 7 . 1 1 181 181 LEU C C 181 176.160 176.160 178.739 -2.579 19522 4651 1 7 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.591 -3.570 19522 4652 1 7 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.897 -0.141 19522 4653 1 7 . 1 1 181 181 LEU H H 181 7.183 7.183 7.550 -0.367 19522 4654 1 7 . 1 1 182 182 GLU N N 182 121.364 121.364 118.507 2.857 19522 4655 1 7 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.696 -0.682 19522 4656 1 7 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.671 -1.715 19522 4657 1 7 . 1 1 182 182 GLU H H 182 8.596 8.596 8.785 -0.189 19522 4658 1 7 . 1 1 184 184 TRP N N 184 117.804 117.804 119.396 -1.592 19522 4659 1 7 . 1 1 184 184 TRP C C 184 179.217 179.217 177.937 1.280 19522 4660 1 7 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.528 6.144 19522 4661 1 7 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.045 -0.972 19522 4662 1 7 . 1 1 184 184 TRP H H 184 7.070 7.070 7.578 -0.508 19522 4663 1 7 . 1 1 185 185 ILE N N 185 121.825 121.825 119.617 2.208 19522 4664 1 7 . 1 1 185 185 ILE C C 185 178.655 178.655 178.460 0.195 19522 4665 1 7 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.263 0.009 19522 4666 1 7 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.859 -1.914 19522 4667 1 7 . 1 1 185 185 ILE H H 185 8.396 8.396 8.615 -0.219 19522 4668 1 7 . 1 1 186 186 GLN N N 186 116.489 116.489 116.071 0.418 19522 4669 1 7 . 1 1 186 186 GLN C C 186 179.035 179.035 176.679 2.356 19522 4670 1 7 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.082 0.736 19522 4671 1 7 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.977 -1.164 19522 4672 1 7 . 1 1 186 186 GLN H H 186 8.374 8.374 7.749 0.625 19522 4673 1 7 . 1 1 187 187 GLU N N 187 118.764 118.764 120.094 -1.330 19522 4674 1 7 . 1 1 187 187 GLU C C 187 176.458 176.458 177.396 -0.938 19522 4675 1 7 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.219 -0.200 19522 4676 1 7 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.117 -1.706 19522 4677 1 7 . 1 1 187 187 GLU H H 187 7.515 7.515 7.603 -0.088 19522 4678 1 7 . 1 1 188 188 ASN N N 188 116.561 116.561 115.637 0.924 19522 4679 1 7 . 1 1 188 188 ASN C C 188 173.620 173.620 174.660 -1.040 19522 4680 1 7 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.053 -0.190 19522 4681 1 7 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.285 -3.564 19522 4682 1 7 . 1 1 188 188 ASN H H 188 7.092 7.092 7.871 -0.779 19522 4683 1 7 . 1 1 189 189 GLY N N 189 104.897 104.897 105.491 -0.594 19522 4684 1 7 . 1 1 189 189 GLY C C 189 175.658 175.658 173.300 2.358 19522 4685 1 7 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.516 0.276 19522 4686 1 7 . 1 1 189 189 GLY H H 189 7.339 7.339 7.377 -0.038 19522 4687 1 7 . 1 1 190 190 GLY N N 190 108.292 108.292 109.571 -1.279 19522 4688 1 7 . 1 1 190 190 GLY C C 190 173.021 173.021 174.911 -1.890 19522 4689 1 7 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.033 -1.679 19522 4690 1 7 . 1 1 190 190 GLY H H 190 8.462 8.462 9.215 -0.753 19522 4691 1 7 . 1 1 191 191 TRP N N 191 118.031 118.031 121.510 -3.479 19522 4692 1 7 . 1 1 191 191 TRP C C 191 178.136 178.136 177.387 0.749 19522 4693 1 7 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.212 -0.796 19522 4694 1 7 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.968 -0.319 19522 4695 1 7 . 1 1 191 191 TRP H H 191 8.673 8.673 8.458 0.215 19522 4696 1 7 . 1 1 192 192 ASP N N 192 117.298 117.298 118.685 -1.387 19522 4697 1 7 . 1 1 192 192 ASP C C 192 179.058 179.058 177.840 1.218 19522 4698 1 7 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.469 0.390 19522 4699 1 7 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.680 -0.401 19522 4700 1 7 . 1 1 192 192 ASP H H 192 8.846 8.846 8.021 0.825 19522 4701 1 7 . 1 1 193 193 THR N N 193 116.061 116.061 115.656 0.405 19522 4702 1 7 . 1 1 193 193 THR C C 193 174.979 174.979 176.157 -1.178 19522 4703 1 7 . 1 1 193 193 THR CA C 193 65.649 65.649 64.836 0.813 19522 4704 1 7 . 1 1 193 193 THR CB C 193 67.327 67.327 68.339 -1.012 19522 4705 1 7 . 1 1 193 193 THR H H 193 7.431 7.431 7.415 0.016 19522 4706 1 7 . 1 1 194 194 PHE N N 194 121.789 121.789 122.653 -0.864 19522 4707 1 7 . 1 1 194 194 PHE C C 194 176.418 176.418 176.898 -0.480 19522 4708 1 7 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.453 -0.439 19522 4709 1 7 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.196 -2.315 19522 4710 1 7 . 1 1 194 194 PHE H H 194 6.527 6.527 8.342 -1.815 19522 4711 1 7 . 1 1 195 195 VAL N N 195 116.988 116.988 117.066 -0.078 19522 4712 1 7 . 1 1 195 195 VAL C C 195 178.078 178.078 178.104 -0.026 19522 4713 1 7 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.032 -0.281 19522 4714 1 7 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.919 -0.431 19522 4715 1 7 . 1 1 195 195 VAL H H 195 7.747 7.747 8.025 -0.278 19522 4716 1 7 . 1 1 196 196 GLU N N 196 120.171 120.171 119.428 0.743 19522 4717 1 7 . 1 1 196 196 GLU C C 196 177.976 177.976 178.012 -0.036 19522 4718 1 7 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.040 -0.720 19522 4719 1 7 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.153 -0.480 19522 4720 1 7 . 1 1 196 196 GLU H H 196 7.497 7.497 7.766 -0.269 19522 4721 1 7 . 1 1 197 197 LEU N N 197 117.210 117.210 113.433 3.777 19522 4722 1 7 . 1 1 197 197 LEU C C 197 178.376 178.376 176.081 2.295 19522 4723 1 7 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.998 0.902 19522 4724 1 7 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.348 1.047 19522 4725 1 7 . 1 1 197 197 LEU H H 197 7.626 7.626 7.517 0.109 19522 4726 1 7 . 1 1 198 198 TYR N N 198 115.681 115.681 120.499 -4.818 19522 4727 1 7 . 1 1 198 198 TYR C C 198 176.577 176.577 176.371 0.206 19522 4728 1 7 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.166 -0.789 19522 4729 1 7 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.423 -2.902 19522 4730 1 7 . 1 1 198 198 TYR H H 198 8.081 8.081 7.530 0.551 19522 4731 1 7 . 1 1 199 199 GLY N N 199 108.201 108.201 107.373 0.828 19522 4732 1 7 . 1 1 199 199 GLY C C 199 173.640 173.640 175.028 -1.388 19522 4733 1 7 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.556 -1.003 19522 4734 1 7 . 1 1 199 199 GLY H H 199 8.032 8.032 8.257 -0.225 19522 4735 1 7 . 1 1 200 200 ASN N N 200 118.385 118.385 118.619 -0.234 19522 4736 1 7 . 1 1 200 200 ASN C C 200 175.081 175.081 174.174 0.907 19522 4737 1 7 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.392 0.392 19522 4738 1 7 . 1 1 200 200 ASN CB C 200 37.441 37.441 38.827 -1.386 19522 4739 1 7 . 1 1 200 200 ASN H H 200 8.300 8.300 8.062 0.238 19522 4740 1 8 . 1 1 5 5 SER N N 5 116.171 116.171 121.474 -5.303 19522 4741 1 8 . 1 1 5 5 SER C C 5 174.320 174.320 174.713 -0.393 19522 4742 1 8 . 1 1 5 5 SER CA C 5 57.898 57.898 58.570 -0.672 19522 4743 1 8 . 1 1 5 5 SER CB C 5 62.533 62.533 63.495 -0.962 19522 4744 1 8 . 1 1 5 5 SER H H 5 8.224 8.224 8.667 -0.443 19522 4745 1 8 . 1 1 6 6 GLN N N 6 122.369 122.369 118.949 3.420 19522 4746 1 8 . 1 1 6 6 GLN C C 6 176.418 176.418 176.024 0.394 19522 4747 1 8 . 1 1 6 6 GLN CA C 6 55.900 55.900 55.989 -0.088 19522 4748 1 8 . 1 1 6 6 GLN CB C 6 28.810 28.810 28.012 0.798 19522 4749 1 8 . 1 1 6 6 GLN H H 6 8.337 8.337 8.494 -0.157 19522 4750 1 8 . 1 1 7 7 SER N N 7 116.584 116.584 114.640 1.944 19522 4751 1 8 . 1 1 7 7 SER C C 7 175.859 175.859 176.147 -0.288 19522 4752 1 8 . 1 1 7 7 SER CA C 7 56.260 56.260 60.831 -4.571 19522 4753 1 8 . 1 1 7 7 SER CB C 7 61.916 61.916 62.764 -0.848 19522 4754 1 8 . 1 1 7 7 SER H H 7 8.221 8.221 8.818 -0.597 19522 4755 1 8 . 1 1 8 8 ASN N N 8 119.373 119.373 120.726 -1.353 19522 4756 1 8 . 1 1 8 8 ASN C C 8 177.259 177.259 177.132 0.127 19522 4757 1 8 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.845 -2.638 19522 4758 1 8 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.283 -1.619 19522 4759 1 8 . 1 1 8 8 ASN H H 8 8.375 8.375 7.863 0.512 19522 4760 1 8 . 1 1 9 9 ARG N N 9 119.039 119.039 121.513 -2.474 19522 4761 1 8 . 1 1 9 9 ARG C C 9 176.977 176.977 178.525 -1.548 19522 4762 1 8 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.269 -1.263 19522 4763 1 8 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.203 1.107 19522 4764 1 8 . 1 1 9 9 ARG H H 9 7.815 7.815 8.766 -0.951 19522 4765 1 8 . 1 1 10 10 GLU N N 10 117.158 117.158 119.398 -2.240 19522 4766 1 8 . 1 1 10 10 GLU C C 10 179.475 179.475 179.257 0.218 19522 4767 1 8 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.154 -3.656 19522 4768 1 8 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.117 -0.124 19522 4769 1 8 . 1 1 10 10 GLU H H 10 7.949 7.949 8.423 -0.474 19522 4770 1 8 . 1 1 11 11 LEU N N 11 119.880 119.880 120.270 -0.390 19522 4771 1 8 . 1 1 11 11 LEU C C 11 178.096 178.096 178.885 -0.789 19522 4772 1 8 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.716 -0.515 19522 4773 1 8 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.264 -1.346 19522 4774 1 8 . 1 1 11 11 LEU H H 11 7.807 7.807 7.505 0.302 19522 4775 1 8 . 1 1 12 12 VAL N N 12 117.702 117.702 119.727 -2.025 19522 4776 1 8 . 1 1 12 12 VAL C C 12 176.377 176.377 178.404 -2.027 19522 4777 1 8 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.036 0.052 19522 4778 1 8 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.149 -0.181 19522 4779 1 8 . 1 1 12 12 VAL H H 12 7.690 7.690 8.026 -0.336 19522 4780 1 8 . 1 1 13 13 VAL N N 13 116.258 116.258 115.468 0.790 19522 4781 1 8 . 1 1 13 13 VAL C C 13 178.416 178.416 177.126 1.290 19522 4782 1 8 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.708 0.204 19522 4783 1 8 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.730 -2.137 19522 4784 1 8 . 1 1 13 13 VAL H H 13 8.225 8.225 7.838 0.387 19522 4785 1 8 . 1 1 14 14 ASP N N 14 120.362 120.362 122.345 -1.983 19522 4786 1 8 . 1 1 14 14 ASP C C 14 177.040 177.040 177.794 -0.754 19522 4787 1 8 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.833 0.145 19522 4788 1 8 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.123 1.135 19522 4789 1 8 . 1 1 14 14 ASP H H 14 7.967 7.967 7.809 0.158 19522 4790 1 8 . 1 1 15 15 PHE N N 15 119.747 119.747 120.215 -0.468 19522 4791 1 8 . 1 1 15 15 PHE C C 15 177.876 177.876 177.211 0.665 19522 4792 1 8 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.049 1.426 19522 4793 1 8 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.067 -0.485 19522 4794 1 8 . 1 1 15 15 PHE H H 15 8.308 8.308 8.187 0.121 19522 4795 1 8 . 1 1 16 16 LEU N N 16 116.203 116.203 119.912 -3.709 19522 4796 1 8 . 1 1 16 16 LEU C C 16 175.618 175.618 178.393 -2.775 19522 4797 1 8 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.200 -0.622 19522 4798 1 8 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.754 -1.413 19522 4799 1 8 . 1 1 16 16 LEU H H 16 8.718 8.718 7.906 0.812 19522 4800 1 8 . 1 1 17 17 SER N N 17 113.607 113.607 115.007 -1.400 19522 4801 1 8 . 1 1 17 17 SER C C 17 176.980 176.980 176.408 0.572 19522 4802 1 8 . 1 1 17 17 SER CA C 17 62.150 62.150 62.151 -0.001 19522 4803 1 8 . 1 1 17 17 SER CB C 17 60.854 60.854 62.877 -2.023 19522 4804 1 8 . 1 1 17 17 SER H H 17 8.338 8.338 8.132 0.206 19522 4805 1 8 . 1 1 18 18 TYR N N 18 124.591 124.591 122.773 1.818 19522 4806 1 8 . 1 1 18 18 TYR C C 18 177.996 177.996 176.866 1.130 19522 4807 1 8 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.758 -1.479 19522 4808 1 8 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.441 -2.096 19522 4809 1 8 . 1 1 18 18 TYR H H 18 8.228 8.228 7.931 0.297 19522 4810 1 8 . 1 1 19 19 LYS N N 19 119.761 119.761 118.146 1.615 19522 4811 1 8 . 1 1 19 19 LYS C C 19 179.841 179.841 178.466 1.375 19522 4812 1 8 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.369 -1.286 19522 4813 1 8 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.376 -3.726 19522 4814 1 8 . 1 1 19 19 LYS H H 19 8.230 8.230 7.319 0.911 19522 4815 1 8 . 1 1 20 20 LEU N N 20 118.077 118.077 119.701 -1.624 19522 4816 1 8 . 1 1 20 20 LEU C C 20 179.654 179.654 177.436 2.218 19522 4817 1 8 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.905 1.073 19522 4818 1 8 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.903 -2.465 19522 4819 1 8 . 1 1 20 20 LEU H H 20 8.534 8.534 8.009 0.525 19522 4820 1 8 . 1 1 21 21 SER N N 21 117.073 117.073 111.548 5.525 19522 4821 1 8 . 1 1 21 21 SER C C 21 178.204 178.204 174.155 4.049 19522 4822 1 8 . 1 1 21 21 SER CA C 21 60.375 60.375 58.412 1.963 19522 4823 1 8 . 1 1 21 21 SER CB C 21 61.836 61.836 62.331 -0.495 19522 4824 1 8 . 1 1 21 21 SER H H 21 8.239 8.239 7.412 0.827 19522 4825 1 8 . 1 1 22 22 GLN N N 22 122.767 122.767 121.158 1.609 19522 4826 1 8 . 1 1 22 22 GLN C C 22 176.997 176.997 175.219 1.778 19522 4827 1 8 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.340 0.238 19522 4828 1 8 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.665 -2.533 19522 4829 1 8 . 1 1 22 22 GLN H H 22 7.632 7.632 7.548 0.084 19522 4830 1 8 . 1 1 23 23 LYS N N 23 116.016 116.016 115.893 0.123 19522 4831 1 8 . 1 1 23 23 LYS C C 23 175.419 175.419 174.748 0.671 19522 4832 1 8 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.162 -3.219 19522 4833 1 8 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.937 -2.889 19522 4834 1 8 . 1 1 23 23 LYS H H 23 7.167 7.167 8.243 -1.076 19522 4835 1 8 . 1 1 24 24 GLY N N 24 105.329 105.329 108.958 -3.629 19522 4836 1 8 . 1 1 24 24 GLY C C 24 173.680 173.680 172.653 1.027 19522 4837 1 8 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.135 -0.822 19522 4838 1 8 . 1 1 24 24 GLY H H 24 7.504 7.504 8.101 -0.597 19522 4839 1 8 . 1 1 25 25 TYR N N 25 119.528 119.528 117.162 2.366 19522 4840 1 8 . 1 1 25 25 TYR C C 25 174.779 174.779 174.515 0.264 19522 4841 1 8 . 1 1 25 25 TYR CA C 25 57.761 57.761 56.041 1.720 19522 4842 1 8 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.069 1.232 19522 4843 1 8 . 1 1 25 25 TYR H H 25 7.817 7.817 7.206 0.611 19522 4844 1 8 . 1 1 26 26 SER N N 26 115.815 115.815 121.897 -6.082 19522 4845 1 8 . 1 1 26 26 SER C C 26 173.860 173.860 175.573 -1.713 19522 4846 1 8 . 1 1 26 26 SER CA C 26 56.083 56.083 57.672 -1.589 19522 4847 1 8 . 1 1 26 26 SER CB C 26 63.275 63.275 63.722 -0.447 19522 4848 1 8 . 1 1 26 26 SER H H 26 8.475 8.475 7.973 0.502 19522 4849 1 8 . 1 1 27 27 TRP N N 27 126.476 126.476 120.683 5.793 19522 4850 1 8 . 1 1 27 27 TRP C C 27 174.141 174.141 177.342 -3.201 19522 4851 1 8 . 1 1 27 27 TRP CA C 27 58.400 58.400 57.931 0.469 19522 4852 1 8 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.303 -0.093 19522 4853 1 8 . 1 1 27 27 TRP H H 27 8.720 8.720 7.651 1.069 19522 4854 1 8 . 1 1 28 28 SER N N 28 114.011 114.011 114.785 -0.774 19522 4855 1 8 . 1 1 28 28 SER C C 28 172.859 172.859 175.310 -2.451 19522 4856 1 8 . 1 1 28 28 SER CA C 28 66.186 66.186 60.304 5.882 19522 4857 1 8 . 1 1 28 28 SER CB C 28 61.996 61.996 62.309 -0.313 19522 4858 1 8 . 1 1 28 28 SER H H 28 8.034 8.034 7.801 0.233 19522 4859 1 8 . 1 1 29 29 GLN N N 29 120.138 120.138 119.973 0.165 19522 4860 1 8 . 1 1 29 29 GLN C C 29 177.250 177.250 176.843 0.407 19522 4861 1 8 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.776 -2.606 19522 4862 1 8 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.119 -0.780 19522 4863 1 8 . 1 1 29 29 GLN H H 29 7.323 7.323 7.426 -0.103 19522 4864 1 8 . 1 1 30 30 PHE N N 30 113.775 113.775 118.606 -4.831 19522 4865 1 8 . 1 1 30 30 PHE C C 30 176.814 176.814 176.720 0.094 19522 4866 1 8 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.437 -3.273 19522 4867 1 8 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.598 -1.758 19522 4868 1 8 . 1 1 30 30 PHE H H 30 6.778 6.778 7.575 -0.797 19522 4869 1 8 . 1 1 87 87 ALA N N 87 124.732 124.732 124.732 0.000 19522 4870 1 8 . 1 1 87 87 ALA C C 87 175.941 175.941 177.066 -1.125 19522 4871 1 8 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.191 -2.341 19522 4872 1 8 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.344 -1.778 19522 4873 1 8 . 1 1 87 87 ALA H H 87 8.079 8.079 8.754 -0.675 19522 4874 1 8 . 1 1 88 88 ALA N N 88 121.664 121.664 120.291 1.373 19522 4875 1 8 . 1 1 88 88 ALA C C 88 177.523 177.523 178.020 -0.497 19522 4876 1 8 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.418 3.733 19522 4877 1 8 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.309 0.154 19522 4878 1 8 . 1 1 88 88 ALA H H 88 7.951 7.951 7.569 0.382 19522 4879 1 8 . 1 1 89 89 VAL N N 89 119.415 119.415 118.804 0.611 19522 4880 1 8 . 1 1 89 89 VAL C C 89 176.857 176.857 176.617 0.240 19522 4881 1 8 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.010 -4.174 19522 4882 1 8 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.345 -0.274 19522 4883 1 8 . 1 1 89 89 VAL H H 89 8.161 8.161 8.375 -0.214 19522 4884 1 8 . 1 1 90 90 LYS N N 90 121.221 121.221 118.856 2.365 19522 4885 1 8 . 1 1 90 90 LYS C C 90 175.559 175.559 178.513 -2.954 19522 4886 1 8 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.700 -3.617 19522 4887 1 8 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.946 -3.033 19522 4888 1 8 . 1 1 90 90 LYS H H 90 8.529 8.529 8.167 0.362 19522 4889 1 8 . 1 1 91 91 GLN N N 91 115.879 115.879 118.342 -2.463 19522 4890 1 8 . 1 1 91 91 GLN C C 91 176.950 176.950 177.945 -0.995 19522 4891 1 8 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.215 -0.294 19522 4892 1 8 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.141 -0.906 19522 4893 1 8 . 1 1 91 91 GLN H H 91 7.973 7.973 7.585 0.388 19522 4894 1 8 . 1 1 92 92 ALA N N 92 119.538 119.538 123.500 -3.962 19522 4895 1 8 . 1 1 92 92 ALA C C 92 179.537 179.537 179.730 -0.193 19522 4896 1 8 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.292 -1.047 19522 4897 1 8 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.242 -1.475 19522 4898 1 8 . 1 1 92 92 ALA H H 92 7.661 7.661 8.453 -0.792 19522 4899 1 8 . 1 1 93 93 LEU N N 93 120.236 120.236 117.287 2.949 19522 4900 1 8 . 1 1 93 93 LEU C C 93 179.075 179.075 179.210 -0.135 19522 4901 1 8 . 1 1 93 93 LEU CA C 93 57.787 57.787 56.631 1.156 19522 4902 1 8 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.414 0.143 19522 4903 1 8 . 1 1 93 93 LEU H H 93 8.544 8.544 8.078 0.466 19522 4904 1 8 . 1 1 94 94 ARG N N 94 118.361 118.361 121.050 -2.689 19522 4905 1 8 . 1 1 94 94 ARG C C 94 178.396 178.396 178.390 0.006 19522 4906 1 8 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.582 0.154 19522 4907 1 8 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.736 -1.645 19522 4908 1 8 . 1 1 94 94 ARG H H 94 8.057 8.057 7.608 0.449 19522 4909 1 8 . 1 1 95 95 GLU N N 95 115.851 115.851 119.465 -3.614 19522 4910 1 8 . 1 1 95 95 GLU C C 95 179.794 179.794 179.081 0.713 19522 4911 1 8 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.819 -1.602 19522 4912 1 8 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.336 -1.245 19522 4913 1 8 . 1 1 95 95 GLU H H 95 7.737 7.737 8.280 -0.543 19522 4914 1 8 . 1 1 96 96 ALA N N 96 122.958 122.958 121.002 1.956 19522 4915 1 8 . 1 1 96 96 ALA C C 96 181.313 181.313 180.092 1.221 19522 4916 1 8 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.195 -0.893 19522 4917 1 8 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.403 -0.700 19522 4918 1 8 . 1 1 96 96 ALA H H 96 8.824 8.824 7.824 1.000 19522 4919 1 8 . 1 1 97 97 GLY N N 97 108.363 108.363 107.689 0.674 19522 4920 1 8 . 1 1 97 97 GLY C C 97 178.177 178.177 176.402 1.775 19522 4921 1 8 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.535 -1.544 19522 4922 1 8 . 1 1 97 97 GLY H H 97 9.088 9.088 8.097 0.991 19522 4923 1 8 . 1 1 98 98 ASP N N 98 122.197 122.197 122.237 -0.040 19522 4924 1 8 . 1 1 98 98 ASP C C 98 178.715 178.715 178.610 0.105 19522 4925 1 8 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.397 -0.378 19522 4926 1 8 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.986 -2.507 19522 4927 1 8 . 1 1 98 98 ASP H H 98 8.102 8.102 8.431 -0.329 19522 4928 1 8 . 1 1 99 99 GLU N N 99 120.103 120.103 121.304 -1.201 19522 4929 1 8 . 1 1 99 99 GLU C C 99 179.513 179.513 179.061 0.452 19522 4930 1 8 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.272 -5.520 19522 4931 1 8 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.547 -1.056 19522 4932 1 8 . 1 1 99 99 GLU H H 99 8.115 8.115 8.259 -0.144 19522 4933 1 8 . 1 1 100 100 PHE N N 100 120.218 120.218 118.202 2.016 19522 4934 1 8 . 1 1 100 100 PHE C C 100 178.618 178.618 178.133 0.485 19522 4935 1 8 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.805 -4.345 19522 4936 1 8 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.309 1.027 19522 4937 1 8 . 1 1 100 100 PHE H H 100 8.535 8.535 8.546 -0.011 19522 4938 1 8 . 1 1 101 101 GLU N N 101 117.531 117.531 120.888 -3.357 19522 4939 1 8 . 1 1 101 101 GLU C C 101 177.339 177.339 179.081 -1.742 19522 4940 1 8 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.062 -2.461 19522 4941 1 8 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.762 -1.169 19522 4942 1 8 . 1 1 101 101 GLU H H 101 8.032 8.032 8.389 -0.357 19522 4943 1 8 . 1 1 102 102 LEU N N 102 116.641 116.641 116.437 0.204 19522 4944 1 8 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.984 -1.396 19522 4945 1 8 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.586 -0.813 19522 4946 1 8 . 1 1 102 102 LEU H H 102 7.369 7.369 7.821 -0.452 19522 4947 1 8 . 1 1 103 103 ARG N N 103 115.854 115.854 118.689 -2.835 19522 4948 1 8 . 1 1 103 103 ARG C C 103 177.605 177.605 178.308 -0.703 19522 4949 1 8 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.418 0.569 19522 4950 1 8 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.315 -0.165 19522 4951 1 8 . 1 1 103 103 ARG H H 103 7.472 7.472 7.784 -0.312 19522 4952 1 8 . 1 1 104 104 TYR N N 104 119.078 119.078 119.824 -0.746 19522 4953 1 8 . 1 1 104 104 TYR C C 104 174.962 174.962 177.734 -2.772 19522 4954 1 8 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.450 -0.609 19522 4955 1 8 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.584 -1.956 19522 4956 1 8 . 1 1 104 104 TYR H H 104 7.904 7.904 8.079 -0.175 19522 4957 1 8 . 1 1 105 105 ARG N N 105 119.378 119.378 118.219 1.159 19522 4958 1 8 . 1 1 105 105 ARG C C 105 178.395 178.395 177.148 1.247 19522 4959 1 8 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.924 0.997 19522 4960 1 8 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.263 -1.469 19522 4961 1 8 . 1 1 105 105 ARG H H 105 7.195 7.195 8.576 -1.381 19522 4962 1 8 . 1 1 106 106 ARG N N 106 118.875 118.875 119.592 -0.717 19522 4963 1 8 . 1 1 106 106 ARG C C 106 177.257 177.257 175.950 1.307 19522 4964 1 8 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.428 1.487 19522 4965 1 8 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.322 -2.768 19522 4966 1 8 . 1 1 106 106 ARG H H 106 8.452 8.452 7.925 0.527 19522 4967 1 8 . 1 1 107 107 ALA N N 107 121.864 121.864 122.378 -0.514 19522 4968 1 8 . 1 1 107 107 ALA C C 107 175.701 175.701 177.738 -2.037 19522 4969 1 8 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.210 0.434 19522 4970 1 8 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.762 0.300 19522 4971 1 8 . 1 1 107 107 ALA H H 107 7.839 7.839 7.729 0.110 19522 4972 1 8 . 1 1 108 108 PHE N N 108 121.984 121.984 121.704 0.280 19522 4973 1 8 . 1 1 108 108 PHE C C 108 174.982 174.982 174.664 0.318 19522 4974 1 8 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.916 -0.875 19522 4975 1 8 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.187 2.651 19522 4976 1 8 . 1 1 108 108 PHE H H 108 8.392 8.392 8.002 0.390 19522 4977 1 8 . 1 1 109 109 SER N N 109 114.585 114.585 117.123 -2.538 19522 4978 1 8 . 1 1 109 109 SER C C 109 175.421 175.421 174.554 0.867 19522 4979 1 8 . 1 1 109 109 SER CA C 109 55.044 55.044 57.065 -2.021 19522 4980 1 8 . 1 1 109 109 SER CB C 109 63.241 63.241 65.466 -2.225 19522 4981 1 8 . 1 1 109 109 SER H H 109 7.810 7.810 7.869 -0.059 19522 4982 1 8 . 1 1 110 110 ASP N N 110 119.725 119.725 122.734 -3.009 19522 4983 1 8 . 1 1 110 110 ASP C C 110 178.196 178.196 178.169 0.027 19522 4984 1 8 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.397 -1.417 19522 4985 1 8 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.499 -2.659 19522 4986 1 8 . 1 1 110 110 ASP H H 110 8.380 8.380 8.621 -0.241 19522 4987 1 8 . 1 1 111 111 LEU N N 111 120.827 120.827 119.697 1.130 19522 4988 1 8 . 1 1 111 111 LEU C C 111 178.804 178.804 178.509 0.295 19522 4989 1 8 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.022 -0.923 19522 4990 1 8 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.850 -1.053 19522 4991 1 8 . 1 1 111 111 LEU H H 111 7.783 7.783 8.252 -0.469 19522 4992 1 8 . 1 1 112 112 THR N N 112 109.101 109.101 112.613 -3.512 19522 4993 1 8 . 1 1 112 112 THR C C 112 177.157 177.157 177.022 0.135 19522 4994 1 8 . 1 1 112 112 THR CA C 112 64.690 64.690 65.650 -0.959 19522 4995 1 8 . 1 1 112 112 THR CB C 112 67.407 67.407 68.438 -1.031 19522 4996 1 8 . 1 1 112 112 THR H H 112 8.331 8.331 7.943 0.388 19522 4997 1 8 . 1 1 113 113 SER N N 113 115.811 115.811 117.066 -1.255 19522 4998 1 8 . 1 1 113 113 SER C C 113 175.319 175.319 175.987 -0.668 19522 4999 1 8 . 1 1 113 113 SER CA C 113 59.736 59.736 60.752 -1.016 19522 5000 1 8 . 1 1 113 113 SER CB C 113 62.213 62.213 63.091 -0.878 19522 5001 1 8 . 1 1 113 113 SER H H 113 7.645 7.645 7.909 -0.264 19522 5002 1 8 . 1 1 114 114 GLN N N 114 118.421 118.421 121.771 -3.350 19522 5003 1 8 . 1 1 114 114 GLN C C 114 175.978 175.978 177.711 -1.733 19522 5004 1 8 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.007 -1.548 19522 5005 1 8 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.614 -0.603 19522 5006 1 8 . 1 1 114 114 GLN H H 114 7.614 7.614 8.153 -0.539 19522 5007 1 8 . 1 1 115 115 LEU N N 115 118.236 118.236 118.372 -0.136 19522 5008 1 8 . 1 1 115 115 LEU C C 115 176.198 176.198 177.451 -1.253 19522 5009 1 8 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.250 -1.446 19522 5010 1 8 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.601 -0.046 19522 5011 1 8 . 1 1 115 115 LEU H H 115 7.383 7.383 8.089 -0.706 19522 5012 1 8 . 1 1 116 116 HIS N N 116 119.694 119.694 116.819 2.875 19522 5013 1 8 . 1 1 116 116 HIS C C 116 174.122 174.122 174.178 -0.056 19522 5014 1 8 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.722 -0.343 19522 5015 1 8 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.007 -0.756 19522 5016 1 8 . 1 1 116 116 HIS H H 116 8.158 8.158 7.699 0.459 19522 5017 1 8 . 1 1 117 117 ILE N N 117 122.347 122.347 115.477 6.870 19522 5018 1 8 . 1 1 117 117 ILE C C 117 176.377 176.377 175.525 0.852 19522 5019 1 8 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.681 -0.964 19522 5020 1 8 . 1 1 117 117 ILE CB C 117 37.224 37.224 36.198 1.026 19522 5021 1 8 . 1 1 117 117 ILE H H 117 8.658 8.658 8.085 0.573 19522 5022 1 8 . 1 1 118 118 THR N N 118 115.798 115.798 119.728 -3.930 19522 5023 1 8 . 1 1 118 118 THR CA C 118 57.921 57.921 60.288 -2.367 19522 5024 1 8 . 1 1 118 118 THR CB C 118 63.434 63.434 68.808 -5.374 19522 5025 1 8 . 1 1 118 118 THR H H 118 8.227 8.227 8.182 0.045 19522 5026 1 8 . 1 1 120 120 GLY N N 120 109.574 109.574 107.907 1.667 19522 5027 1 8 . 1 1 120 120 GLY C C 120 180.495 180.495 173.492 7.003 19522 5028 1 8 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.579 -1.186 19522 5029 1 8 . 1 1 120 120 GLY H H 120 8.429 8.429 8.080 0.349 19522 5030 1 8 . 1 1 121 121 THR N N 121 113.419 113.419 116.092 -2.673 19522 5031 1 8 . 1 1 121 121 THR C C 121 178.096 178.096 173.685 4.411 19522 5032 1 8 . 1 1 121 121 THR CA C 121 62.041 62.041 61.941 0.100 19522 5033 1 8 . 1 1 121 121 THR CB C 121 63.994 63.994 66.677 -2.683 19522 5034 1 8 . 1 1 121 121 THR H H 121 7.774 7.774 8.050 -0.276 19522 5035 1 8 . 1 1 122 122 ALA N N 122 121.876 121.876 125.453 -3.577 19522 5036 1 8 . 1 1 122 122 ALA C C 122 177.397 177.397 176.851 0.546 19522 5037 1 8 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.690 -1.066 19522 5038 1 8 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.919 -2.394 19522 5039 1 8 . 1 1 122 122 ALA H H 122 7.944 7.944 8.289 -0.345 19522 5040 1 8 . 1 1 123 123 TYR N N 123 120.931 120.931 115.778 5.153 19522 5041 1 8 . 1 1 123 123 TYR C C 123 176.060 176.060 177.314 -1.254 19522 5042 1 8 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.845 1.210 19522 5043 1 8 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.487 -2.005 19522 5044 1 8 . 1 1 123 123 TYR H H 123 8.748 8.748 7.502 1.246 19522 5045 1 8 . 1 1 124 124 GLN N N 124 115.002 115.002 121.158 -6.156 19522 5046 1 8 . 1 1 124 124 GLN C C 124 178.098 178.098 178.416 -0.318 19522 5047 1 8 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.951 -0.311 19522 5048 1 8 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.511 -1.995 19522 5049 1 8 . 1 1 124 124 GLN H H 124 8.454 8.454 7.352 1.102 19522 5050 1 8 . 1 1 125 125 SER N N 125 114.135 114.135 115.460 -1.325 19522 5051 1 8 . 1 1 125 125 SER C C 125 179.557 179.557 176.064 3.493 19522 5052 1 8 . 1 1 125 125 SER CA C 125 61.357 61.357 61.399 -0.042 19522 5053 1 8 . 1 1 125 125 SER CB C 125 61.357 61.357 62.781 -1.423 19522 5054 1 8 . 1 1 125 125 SER H H 125 7.283 7.283 7.599 -0.316 19522 5055 1 8 . 1 1 126 126 PHE N N 126 113.327 113.327 123.614 -10.287 19522 5056 1 8 . 1 1 126 126 PHE C C 126 174.879 174.879 176.802 -1.923 19522 5057 1 8 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.846 0.271 19522 5058 1 8 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.074 -1.371 19522 5059 1 8 . 1 1 126 126 PHE H H 126 6.606 6.606 7.989 -1.383 19522 5060 1 8 . 1 1 127 127 GLU N N 127 119.398 119.398 118.519 0.879 19522 5061 1 8 . 1 1 127 127 GLU C C 127 176.857 176.857 179.099 -2.242 19522 5062 1 8 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.542 -1.484 19522 5063 1 8 . 1 1 127 127 GLU CB C 127 28.890 28.890 28.890 0.000 19522 5064 1 8 . 1 1 127 127 GLU H H 127 8.546 8.546 7.885 0.661 19522 5065 1 8 . 1 1 128 128 GLN N N 128 114.754 114.754 119.457 -4.703 19522 5066 1 8 . 1 1 128 128 GLN C C 128 178.356 178.356 178.705 -0.349 19522 5067 1 8 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.580 -0.500 19522 5068 1 8 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.390 -1.395 19522 5069 1 8 . 1 1 128 128 GLN H H 128 7.525 7.525 7.822 -0.297 19522 5070 1 8 . 1 1 129 129 VAL N N 129 118.194 118.194 119.541 -1.347 19522 5071 1 8 . 1 1 129 129 VAL C C 129 177.756 177.756 178.132 -0.376 19522 5072 1 8 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.193 -1.103 19522 5073 1 8 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.303 -1.054 19522 5074 1 8 . 1 1 129 129 VAL H H 129 7.036 7.036 7.592 -0.556 19522 5075 1 8 . 1 1 130 130 VAL N N 130 119.459 119.459 119.566 -0.107 19522 5076 1 8 . 1 1 130 130 VAL C C 130 177.714 177.714 177.759 -0.045 19522 5077 1 8 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.455 -1.046 19522 5078 1 8 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.489 -1.017 19522 5079 1 8 . 1 1 130 130 VAL H H 130 7.831 7.831 8.167 -0.336 19522 5080 1 8 . 1 1 131 131 ASN N N 131 117.212 117.212 117.527 -0.315 19522 5081 1 8 . 1 1 131 131 ASN C C 131 178.775 178.775 177.337 1.438 19522 5082 1 8 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.693 -2.049 19522 5083 1 8 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.663 -2.398 19522 5084 1 8 . 1 1 131 131 ASN H H 131 8.374 8.374 8.484 -0.110 19522 5085 1 8 . 1 1 132 132 GLU N N 132 118.393 118.393 119.226 -0.833 19522 5086 1 8 . 1 1 132 132 GLU C C 132 179.097 179.097 179.218 -0.121 19522 5087 1 8 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.915 -0.937 19522 5088 1 8 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.173 -1.801 19522 5089 1 8 . 1 1 132 132 GLU H H 132 7.226 7.226 7.513 -0.287 19522 5090 1 8 . 1 1 133 133 LEU N N 133 120.835 120.835 121.178 -0.343 19522 5091 1 8 . 1 1 133 133 LEU C C 133 178.016 178.016 177.811 0.205 19522 5092 1 8 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.435 -0.633 19522 5093 1 8 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.530 -1.749 19522 5094 1 8 . 1 1 133 133 LEU H H 133 7.467 7.467 7.423 0.044 19522 5095 1 8 . 1 1 134 134 PHE N N 134 112.847 112.847 116.947 -4.100 19522 5096 1 8 . 1 1 134 134 PHE C C 134 176.258 176.258 176.926 -0.668 19522 5097 1 8 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.412 -2.873 19522 5098 1 8 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.199 -0.336 19522 5099 1 8 . 1 1 134 134 PHE H H 134 6.926 6.926 7.509 -0.583 19522 5100 1 8 . 1 1 135 135 ARG N N 135 123.664 123.664 118.160 5.504 19522 5101 1 8 . 1 1 135 135 ARG C C 135 176.957 176.957 176.586 0.371 19522 5102 1 8 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.933 1.004 19522 5103 1 8 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.626 -2.615 19522 5104 1 8 . 1 1 135 135 ARG H H 135 7.144 7.144 7.564 -0.420 19522 5105 1 8 . 1 1 136 136 ASP N N 136 116.448 116.448 116.155 0.293 19522 5106 1 8 . 1 1 136 136 ASP C C 136 175.339 175.339 176.804 -1.465 19522 5107 1 8 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.282 -0.940 19522 5108 1 8 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.647 -5.049 19522 5109 1 8 . 1 1 136 136 ASP H H 136 8.607 8.607 7.540 1.067 19522 5110 1 8 . 1 1 137 137 GLY N N 137 108.506 108.506 109.008 -0.502 19522 5111 1 8 . 1 1 137 137 GLY C C 137 172.324 172.324 174.252 -1.928 19522 5112 1 8 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.619 -1.824 19522 5113 1 8 . 1 1 137 137 GLY H H 137 7.468 7.468 8.336 -0.868 19522 5114 1 8 . 1 1 138 138 VAL N N 138 120.519 120.519 123.113 -2.594 19522 5115 1 8 . 1 1 138 138 VAL C C 138 174.160 174.160 174.979 -0.819 19522 5116 1 8 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.453 0.440 19522 5117 1 8 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.417 1.391 19522 5118 1 8 . 1 1 138 138 VAL H H 138 8.181 8.181 8.413 -0.232 19522 5119 1 8 . 1 1 139 139 ASN N N 139 115.573 115.573 121.564 -5.991 19522 5120 1 8 . 1 1 139 139 ASN C C 139 174.959 174.959 175.684 -0.725 19522 5121 1 8 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.137 -0.112 19522 5122 1 8 . 1 1 139 139 ASN CB C 139 38.639 38.639 39.683 -1.044 19522 5123 1 8 . 1 1 139 139 ASN H H 139 6.261 6.261 7.900 -1.639 19522 5124 1 8 . 1 1 140 140 TRP N N 140 118.231 118.231 126.598 -8.367 19522 5125 1 8 . 1 1 140 140 TRP C C 140 177.976 177.976 177.344 0.632 19522 5126 1 8 . 1 1 140 140 TRP CA C 140 60.135 60.135 58.804 1.331 19522 5127 1 8 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.581 0.028 19522 5128 1 8 . 1 1 140 140 TRP H H 140 8.413 8.413 8.614 -0.201 19522 5129 1 8 . 1 1 141 141 GLY N N 141 106.238 106.238 105.756 0.482 19522 5130 1 8 . 1 1 141 141 GLY C C 141 177.297 177.297 175.196 2.101 19522 5131 1 8 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.616 0.855 19522 5132 1 8 . 1 1 141 141 GLY H H 141 8.494 8.494 8.973 -0.479 19522 5133 1 8 . 1 1 142 142 ARG N N 142 121.156 121.156 122.082 -0.926 19522 5134 1 8 . 1 1 142 142 ARG C C 142 177.457 177.457 177.878 -0.421 19522 5135 1 8 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.591 -0.093 19522 5136 1 8 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.148 -0.539 19522 5137 1 8 . 1 1 142 142 ARG H H 142 8.104 8.104 7.473 0.631 19522 5138 1 8 . 1 1 143 143 ILE N N 143 120.888 120.888 119.940 0.948 19522 5139 1 8 . 1 1 143 143 ILE C C 143 177.756 177.756 176.973 0.783 19522 5140 1 8 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.000 1.889 19522 5141 1 8 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.726 -2.123 19522 5142 1 8 . 1 1 143 143 ILE H H 143 7.696 7.696 7.890 -0.194 19522 5143 1 8 . 1 1 144 144 VAL N N 144 120.958 120.958 118.876 2.082 19522 5144 1 8 . 1 1 144 144 VAL C C 144 177.557 177.557 177.598 -0.041 19522 5145 1 8 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.392 0.696 19522 5146 1 8 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.092 -0.003 19522 5147 1 8 . 1 1 144 144 VAL H H 144 8.229 8.229 7.775 0.454 19522 5148 1 8 . 1 1 145 145 ALA N N 145 121.229 121.229 122.614 -1.385 19522 5149 1 8 . 1 1 145 145 ALA C C 145 177.999 177.999 178.931 -0.932 19522 5150 1 8 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.880 -0.818 19522 5151 1 8 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.178 -1.195 19522 5152 1 8 . 1 1 145 145 ALA H H 145 7.579 7.579 7.532 0.047 19522 5153 1 8 . 1 1 146 146 PHE N N 146 119.338 119.338 120.096 -0.758 19522 5154 1 8 . 1 1 146 146 PHE C C 146 179.432 179.432 177.124 2.308 19522 5155 1 8 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.987 -0.818 19522 5156 1 8 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.994 -1.131 19522 5157 1 8 . 1 1 146 146 PHE H H 146 7.985 7.985 8.118 -0.133 19522 5158 1 8 . 1 1 147 147 PHE N N 147 119.900 119.900 117.224 2.676 19522 5159 1 8 . 1 1 147 147 PHE C C 147 177.399 177.399 177.843 -0.444 19522 5160 1 8 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.018 -1.899 19522 5161 1 8 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.055 1.383 19522 5162 1 8 . 1 1 147 147 PHE H H 147 7.824 7.824 8.236 -0.412 19522 5163 1 8 . 1 1 148 148 SER N N 148 114.725 114.725 116.856 -2.131 19522 5164 1 8 . 1 1 148 148 SER C C 148 177.357 177.357 176.284 1.073 19522 5165 1 8 . 1 1 148 148 SER CA C 148 63.115 63.115 62.202 0.913 19522 5166 1 8 . 1 1 148 148 SER CB C 148 61.893 61.893 62.173 -0.280 19522 5167 1 8 . 1 1 148 148 SER H H 148 8.423 8.423 7.961 0.462 19522 5168 1 8 . 1 1 149 149 PHE N N 149 124.361 124.361 121.236 3.125 19522 5169 1 8 . 1 1 149 149 PHE C C 149 176.338 176.338 178.176 -1.838 19522 5170 1 8 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.453 -2.117 19522 5171 1 8 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.448 -1.167 19522 5172 1 8 . 1 1 149 149 PHE H H 149 9.097 9.097 8.439 0.658 19522 5173 1 8 . 1 1 150 150 GLY N N 150 105.935 105.935 106.144 -0.209 19522 5174 1 8 . 1 1 150 150 GLY C C 150 176.398 176.398 176.240 0.158 19522 5175 1 8 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.813 0.217 19522 5176 1 8 . 1 1 150 150 GLY H H 150 7.937 7.937 7.916 0.021 19522 5177 1 8 . 1 1 151 151 GLY N N 151 107.449 107.449 110.184 -2.735 19522 5178 1 8 . 1 1 151 151 GLY C C 151 174.300 174.300 175.885 -1.585 19522 5179 1 8 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.682 0.268 19522 5180 1 8 . 1 1 151 151 GLY H H 151 8.803 8.803 8.496 0.307 19522 5181 1 8 . 1 1 152 152 ALA N N 152 124.384 124.384 124.992 -0.608 19522 5182 1 8 . 1 1 152 152 ALA C C 152 177.636 177.636 179.342 -1.706 19522 5183 1 8 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.721 -0.579 19522 5184 1 8 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.424 -1.361 19522 5185 1 8 . 1 1 152 152 ALA H H 152 8.232 8.232 8.158 0.074 19522 5186 1 8 . 1 1 153 153 LEU N N 153 118.871 118.871 120.117 -1.246 19522 5187 1 8 . 1 1 153 153 LEU C C 153 179.937 179.937 178.691 1.246 19522 5188 1 8 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.707 -1.119 19522 5189 1 8 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.752 -1.092 19522 5190 1 8 . 1 1 153 153 LEU H H 153 8.159 8.159 8.012 0.147 19522 5191 1 8 . 1 1 154 154 CYS N N 154 118.554 118.554 118.834 -0.280 19522 5192 1 8 . 1 1 154 154 CYS C C 154 177.332 177.332 176.934 0.398 19522 5193 1 8 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.776 -2.480 19522 5194 1 8 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.059 -0.822 19522 5195 1 8 . 1 1 154 154 CYS H H 154 8.049 8.049 8.533 -0.484 19522 5196 1 8 . 1 1 155 155 VAL N N 155 118.474 118.474 122.050 -3.576 19522 5197 1 8 . 1 1 155 155 VAL C C 155 175.723 175.723 178.417 -2.694 19522 5198 1 8 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.017 -0.888 19522 5199 1 8 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.831 -0.103 19522 5200 1 8 . 1 1 155 155 VAL H H 155 8.016 8.016 7.471 0.545 19522 5201 1 8 . 1 1 156 156 GLU N N 156 119.114 119.114 118.379 0.735 19522 5202 1 8 . 1 1 156 156 GLU C C 156 178.036 178.036 179.055 -1.019 19522 5203 1 8 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.101 3.177 19522 5204 1 8 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.915 -1.463 19522 5205 1 8 . 1 1 156 156 GLU H H 156 8.025 8.025 7.928 0.097 19522 5206 1 8 . 1 1 157 157 SER N N 157 113.391 113.391 116.337 -2.946 19522 5207 1 8 . 1 1 157 157 SER C C 157 175.299 175.299 176.032 -0.733 19522 5208 1 8 . 1 1 157 157 SER CA C 157 62.373 62.373 62.187 0.187 19522 5209 1 8 . 1 1 157 157 SER CB C 157 60.854 60.854 63.347 -2.494 19522 5210 1 8 . 1 1 157 157 SER H H 157 7.629 7.629 7.868 -0.239 19522 5211 1 8 . 1 1 158 158 VAL N N 158 120.493 120.493 121.410 -0.917 19522 5212 1 8 . 1 1 158 158 VAL C C 158 173.977 173.977 177.359 -3.382 19522 5213 1 8 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.339 1.390 19522 5214 1 8 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.971 -1.362 19522 5215 1 8 . 1 1 158 158 VAL H H 158 7.374 7.374 7.506 -0.132 19522 5216 1 8 . 1 1 159 159 ASP N N 159 123.215 123.215 121.768 1.447 19522 5217 1 8 . 1 1 159 159 ASP C C 159 177.696 177.696 177.411 0.285 19522 5218 1 8 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.572 0.047 19522 5219 1 8 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.963 -1.045 19522 5220 1 8 . 1 1 159 159 ASP H H 159 8.309 8.309 8.452 -0.143 19522 5221 1 8 . 1 1 160 160 LYS N N 160 115.648 115.648 118.113 -2.465 19522 5222 1 8 . 1 1 160 160 LYS C C 160 174.839 174.839 175.401 -0.562 19522 5223 1 8 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.418 -0.317 19522 5224 1 8 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.913 -2.425 19522 5225 1 8 . 1 1 160 160 LYS H H 160 7.541 7.541 7.424 0.117 19522 5226 1 8 . 1 1 161 161 GLU N N 161 113.911 113.911 119.097 -5.186 19522 5227 1 8 . 1 1 161 161 GLU C C 161 175.781 175.781 176.284 -0.503 19522 5228 1 8 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.087 -1.308 19522 5229 1 8 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.168 -3.114 19522 5230 1 8 . 1 1 161 161 GLU H H 161 7.842 7.842 7.916 -0.074 19522 5231 1 8 . 1 1 162 162 MET N N 162 118.882 118.882 117.812 1.070 19522 5232 1 8 . 1 1 162 162 MET C C 162 176.597 176.597 177.331 -0.734 19522 5233 1 8 . 1 1 162 162 MET CA C 162 52.646 52.646 56.812 -4.166 19522 5234 1 8 . 1 1 162 162 MET CB C 162 30.488 30.488 33.864 -3.376 19522 5235 1 8 . 1 1 162 162 MET H H 162 8.420 8.420 8.656 -0.236 19522 5236 1 8 . 1 1 163 163 GLN N N 163 119.366 119.366 117.941 1.425 19522 5237 1 8 . 1 1 163 163 GLN C C 163 177.397 177.397 176.814 0.583 19522 5238 1 8 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.562 0.614 19522 5239 1 8 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.218 -1.125 19522 5240 1 8 . 1 1 163 163 GLN H H 163 8.615 8.615 8.108 0.507 19522 5241 1 8 . 1 1 164 164 VAL N N 164 116.957 116.957 120.512 -3.555 19522 5242 1 8 . 1 1 164 164 VAL C C 164 175.459 175.459 177.672 -2.213 19522 5243 1 8 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.708 -2.856 19522 5244 1 8 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.363 -1.274 19522 5245 1 8 . 1 1 164 164 VAL H H 164 7.938 7.938 8.057 -0.119 19522 5246 1 8 . 1 1 165 165 LEU N N 165 117.124 117.124 119.308 -2.184 19522 5247 1 8 . 1 1 165 165 LEU C C 165 177.714 177.714 178.231 -0.517 19522 5248 1 8 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.096 -2.413 19522 5249 1 8 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.955 -2.277 19522 5250 1 8 . 1 1 165 165 LEU H H 165 7.741 7.741 7.723 0.018 19522 5251 1 8 . 1 1 166 166 VAL N N 166 119.434 119.434 118.264 1.170 19522 5252 1 8 . 1 1 166 166 VAL C C 166 176.817 176.817 177.873 -1.056 19522 5253 1 8 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.362 1.486 19522 5254 1 8 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.141 -1.771 19522 5255 1 8 . 1 1 166 166 VAL H H 166 7.342 7.342 7.846 -0.504 19522 5256 1 8 . 1 1 167 167 SER N N 167 110.775 110.775 115.925 -5.150 19522 5257 1 8 . 1 1 167 167 SER C C 167 176.737 176.737 176.768 -0.031 19522 5258 1 8 . 1 1 167 167 SER CA C 167 60.215 60.215 61.935 -1.720 19522 5259 1 8 . 1 1 167 167 SER CB C 167 61.654 61.654 62.707 -1.053 19522 5260 1 8 . 1 1 167 167 SER H H 167 8.099 8.099 8.573 -0.474 19522 5261 1 8 . 1 1 168 168 ARG N N 168 122.916 122.916 120.737 2.179 19522 5262 1 8 . 1 1 168 168 ARG C C 168 175.439 175.439 177.962 -2.523 19522 5263 1 8 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.400 3.215 19522 5264 1 8 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.895 -1.884 19522 5265 1 8 . 1 1 168 168 ARG H H 168 6.596 6.596 7.583 -0.987 19522 5266 1 8 . 1 1 169 169 ILE N N 169 118.335 118.335 120.738 -2.403 19522 5267 1 8 . 1 1 169 169 ILE C C 169 177.779 177.779 177.698 0.081 19522 5268 1 8 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.446 -1.315 19522 5269 1 8 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.713 -0.752 19522 5270 1 8 . 1 1 169 169 ILE H H 169 7.928 7.928 7.655 0.273 19522 5271 1 8 . 1 1 170 170 ALA N N 170 119.271 119.271 120.941 -1.670 19522 5272 1 8 . 1 1 170 170 ALA C C 170 179.195 179.195 179.147 0.048 19522 5273 1 8 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.397 -1.495 19522 5274 1 8 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.817 -0.993 19522 5275 1 8 . 1 1 170 170 ALA H H 170 7.672 7.672 8.325 -0.653 19522 5276 1 8 . 1 1 171 171 ALA N N 171 120.393 120.393 121.636 -1.243 19522 5277 1 8 . 1 1 171 171 ALA C C 171 180.833 180.833 179.465 1.368 19522 5278 1 8 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.565 -0.423 19522 5279 1 8 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.759 -1.255 19522 5280 1 8 . 1 1 171 171 ALA H H 171 7.258 7.258 7.229 0.029 19522 5281 1 8 . 1 1 172 172 TRP N N 172 121.501 121.501 118.748 2.753 19522 5282 1 8 . 1 1 172 172 TRP C C 172 179.350 179.350 178.565 0.785 19522 5283 1 8 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.072 -2.053 19522 5284 1 8 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.553 -1.261 19522 5285 1 8 . 1 1 172 172 TRP H H 172 8.936 8.936 7.671 1.265 19522 5286 1 8 . 1 1 173 173 MET N N 173 117.211 117.211 119.565 -2.354 19522 5287 1 8 . 1 1 173 173 MET C C 173 176.158 176.158 178.295 -2.137 19522 5288 1 8 . 1 1 173 173 MET CA C 173 60.238 60.238 59.339 0.899 19522 5289 1 8 . 1 1 173 173 MET CB C 173 28.833 28.833 32.940 -4.107 19522 5290 1 8 . 1 1 173 173 MET H H 173 8.885 8.885 8.696 0.189 19522 5291 1 8 . 1 1 174 174 ALA N N 174 120.901 120.901 120.693 0.208 19522 5292 1 8 . 1 1 174 174 ALA C C 174 178.875 178.875 179.557 -0.682 19522 5293 1 8 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.618 -0.757 19522 5294 1 8 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.065 -1.378 19522 5295 1 8 . 1 1 174 174 ALA H H 174 8.206 8.206 8.467 -0.261 19522 5296 1 8 . 1 1 175 175 THR N N 175 116.591 116.591 116.621 -0.030 19522 5297 1 8 . 1 1 175 175 THR C C 175 174.782 174.782 176.860 -2.078 19522 5298 1 8 . 1 1 175 175 THR CA C 175 66.209 66.209 66.691 -0.482 19522 5299 1 8 . 1 1 175 175 THR CB C 175 68.046 68.046 68.672 -0.626 19522 5300 1 8 . 1 1 175 175 THR H H 175 8.530 8.530 7.907 0.623 19522 5301 1 8 . 1 1 176 176 TYR N N 176 123.375 123.375 122.846 0.529 19522 5302 1 8 . 1 1 176 176 TYR C C 176 179.255 179.255 176.943 2.312 19522 5303 1 8 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.526 1.847 19522 5304 1 8 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.933 -1.070 19522 5305 1 8 . 1 1 176 176 TYR H H 176 8.822 8.822 8.255 0.567 19522 5306 1 8 . 1 1 177 177 LEU N N 177 119.511 119.511 121.744 -2.233 19522 5307 1 8 . 1 1 177 177 LEU C C 177 177.979 177.979 178.160 -0.181 19522 5308 1 8 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.265 0.192 19522 5309 1 8 . 1 1 177 177 LEU CB C 177 41.276 41.276 42.031 -0.755 19522 5310 1 8 . 1 1 177 177 LEU H H 177 8.759 8.759 8.681 0.078 19522 5311 1 8 . 1 1 178 178 ASN N N 178 117.233 117.233 116.192 1.041 19522 5312 1 8 . 1 1 178 178 ASN C C 178 176.021 176.021 176.386 -0.365 19522 5313 1 8 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.779 0.064 19522 5314 1 8 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.438 -0.335 19522 5315 1 8 . 1 1 178 178 ASN H H 178 8.333 8.333 8.082 0.251 19522 5316 1 8 . 1 1 179 179 ASP N N 179 115.264 115.264 119.424 -4.160 19522 5317 1 8 . 1 1 179 179 ASP C C 179 177.557 177.557 176.891 0.666 19522 5318 1 8 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.706 -0.806 19522 5319 1 8 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.327 -2.048 19522 5320 1 8 . 1 1 179 179 ASP H H 179 8.451 8.451 7.808 0.643 19522 5321 1 8 . 1 1 180 180 HIS N N 180 111.728 111.728 115.302 -3.574 19522 5322 1 8 . 1 1 180 180 HIS C C 180 175.479 175.479 176.870 -1.391 19522 5323 1 8 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.431 -1.010 19522 5324 1 8 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.492 -2.883 19522 5325 1 8 . 1 1 180 180 HIS H H 180 8.073 8.073 7.522 0.551 19522 5326 1 8 . 1 1 181 181 LEU N N 181 116.833 116.833 122.172 -5.339 19522 5327 1 8 . 1 1 181 181 LEU C C 181 176.160 176.160 178.431 -2.271 19522 5328 1 8 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.969 -3.948 19522 5329 1 8 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.853 -0.097 19522 5330 1 8 . 1 1 181 181 LEU H H 181 7.183 7.183 7.521 -0.338 19522 5331 1 8 . 1 1 182 182 GLU N N 182 121.364 121.364 118.757 2.607 19522 5332 1 8 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.802 -0.788 19522 5333 1 8 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.591 -1.635 19522 5334 1 8 . 1 1 182 182 GLU H H 182 8.596 8.596 8.644 -0.048 19522 5335 1 8 . 1 1 184 184 TRP N N 184 117.804 117.804 118.687 -0.883 19522 5336 1 8 . 1 1 184 184 TRP C C 184 179.217 179.217 177.950 1.267 19522 5337 1 8 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.734 5.938 19522 5338 1 8 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.891 -0.818 19522 5339 1 8 . 1 1 184 184 TRP H H 184 7.070 7.070 7.866 -0.796 19522 5340 1 8 . 1 1 185 185 ILE N N 185 121.825 121.825 119.664 2.161 19522 5341 1 8 . 1 1 185 185 ILE C C 185 178.655 178.655 178.705 -0.050 19522 5342 1 8 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.209 0.063 19522 5343 1 8 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.936 -1.991 19522 5344 1 8 . 1 1 185 185 ILE H H 185 8.396 8.396 8.506 -0.110 19522 5345 1 8 . 1 1 186 186 GLN N N 186 116.489 116.489 116.391 0.098 19522 5346 1 8 . 1 1 186 186 GLN C C 186 179.035 179.035 176.501 2.534 19522 5347 1 8 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.742 0.076 19522 5348 1 8 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.147 -1.334 19522 5349 1 8 . 1 1 186 186 GLN H H 186 8.374 8.374 8.073 0.301 19522 5350 1 8 . 1 1 187 187 GLU N N 187 118.764 118.764 118.792 -0.028 19522 5351 1 8 . 1 1 187 187 GLU C C 187 176.458 176.458 177.373 -0.915 19522 5352 1 8 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.575 0.444 19522 5353 1 8 . 1 1 187 187 GLU CB C 187 28.411 28.411 31.078 -2.667 19522 5354 1 8 . 1 1 187 187 GLU H H 187 7.515 7.515 7.495 0.020 19522 5355 1 8 . 1 1 188 188 ASN N N 188 116.561 116.561 117.060 -0.499 19522 5356 1 8 . 1 1 188 188 ASN C C 188 173.620 173.620 174.664 -1.044 19522 5357 1 8 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.593 -0.730 19522 5358 1 8 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.497 -2.776 19522 5359 1 8 . 1 1 188 188 ASN H H 188 7.092 7.092 7.981 -0.889 19522 5360 1 8 . 1 1 189 189 GLY N N 189 104.897 104.897 104.848 0.049 19522 5361 1 8 . 1 1 189 189 GLY C C 189 175.658 175.658 173.148 2.510 19522 5362 1 8 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.416 0.376 19522 5363 1 8 . 1 1 189 189 GLY H H 189 7.339 7.339 7.363 -0.024 19522 5364 1 8 . 1 1 190 190 GLY N N 190 108.292 108.292 109.905 -1.613 19522 5365 1 8 . 1 1 190 190 GLY C C 190 173.021 173.021 174.484 -1.463 19522 5366 1 8 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.527 -2.173 19522 5367 1 8 . 1 1 190 190 GLY H H 190 8.462 8.462 9.445 -0.983 19522 5368 1 8 . 1 1 191 191 TRP N N 191 118.031 118.031 121.418 -3.387 19522 5369 1 8 . 1 1 191 191 TRP C C 191 178.136 178.136 177.131 1.005 19522 5370 1 8 . 1 1 191 191 TRP CA C 191 59.416 59.416 59.909 -0.493 19522 5371 1 8 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.126 -0.476 19522 5372 1 8 . 1 1 191 191 TRP H H 191 8.673 8.673 8.373 0.300 19522 5373 1 8 . 1 1 192 192 ASP N N 192 117.298 117.298 119.205 -1.907 19522 5374 1 8 . 1 1 192 192 ASP C C 192 179.058 179.058 177.681 1.377 19522 5375 1 8 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.314 0.545 19522 5376 1 8 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.245 0.034 19522 5377 1 8 . 1 1 192 192 ASP H H 192 8.846 8.846 7.971 0.875 19522 5378 1 8 . 1 1 193 193 THR N N 193 116.061 116.061 115.314 0.747 19522 5379 1 8 . 1 1 193 193 THR C C 193 174.979 174.979 176.097 -1.118 19522 5380 1 8 . 1 1 193 193 THR CA C 193 65.649 65.649 64.812 0.837 19522 5381 1 8 . 1 1 193 193 THR CB C 193 67.327 67.327 67.862 -0.535 19522 5382 1 8 . 1 1 193 193 THR H H 193 7.431 7.431 7.205 0.226 19522 5383 1 8 . 1 1 194 194 PHE N N 194 121.789 121.789 122.037 -0.248 19522 5384 1 8 . 1 1 194 194 PHE C C 194 176.418 176.418 177.464 -1.046 19522 5385 1 8 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.864 0.150 19522 5386 1 8 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.136 -2.255 19522 5387 1 8 . 1 1 194 194 PHE H H 194 6.527 6.527 7.859 -1.332 19522 5388 1 8 . 1 1 195 195 VAL N N 195 116.988 116.988 119.372 -2.384 19522 5389 1 8 . 1 1 195 195 VAL C C 195 178.078 178.078 177.702 0.376 19522 5390 1 8 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.046 -0.294 19522 5391 1 8 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.652 -0.164 19522 5392 1 8 . 1 1 195 195 VAL H H 195 7.747 7.747 8.034 -0.287 19522 5393 1 8 . 1 1 196 196 GLU N N 196 120.171 120.171 118.348 1.823 19522 5394 1 8 . 1 1 196 196 GLU C C 196 177.976 177.976 177.952 0.024 19522 5395 1 8 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.048 -0.728 19522 5396 1 8 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.094 -0.421 19522 5397 1 8 . 1 1 196 196 GLU H H 196 7.497 7.497 7.728 -0.231 19522 5398 1 8 . 1 1 197 197 LEU N N 197 117.210 117.210 113.058 4.152 19522 5399 1 8 . 1 1 197 197 LEU C C 197 178.376 178.376 176.506 1.870 19522 5400 1 8 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.965 0.935 19522 5401 1 8 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.943 0.452 19522 5402 1 8 . 1 1 197 197 LEU H H 197 7.626 7.626 7.310 0.316 19522 5403 1 8 . 1 1 198 198 TYR N N 198 115.681 115.681 121.086 -5.405 19522 5404 1 8 . 1 1 198 198 TYR C C 198 176.577 176.577 176.977 -0.400 19522 5405 1 8 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.747 -1.370 19522 5406 1 8 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.389 -2.868 19522 5407 1 8 . 1 1 198 198 TYR H H 198 8.081 8.081 7.817 0.264 19522 5408 1 8 . 1 1 199 199 GLY N N 199 108.201 108.201 106.213 1.988 19522 5409 1 8 . 1 1 199 199 GLY C C 199 173.640 173.640 174.762 -1.122 19522 5410 1 8 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.305 -0.752 19522 5411 1 8 . 1 1 199 199 GLY H H 199 8.032 8.032 8.044 -0.012 19522 5412 1 8 . 1 1 200 200 ASN N N 200 118.385 118.385 118.349 0.036 19522 5413 1 8 . 1 1 200 200 ASN C C 200 175.081 175.081 173.678 1.403 19522 5414 1 8 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.008 -0.224 19522 5415 1 8 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.736 -2.295 19522 5416 1 8 . 1 1 200 200 ASN H H 200 8.300 8.300 8.001 0.299 19522 5417 1 9 . 1 1 5 5 SER N N 5 116.171 116.171 119.495 -3.324 19522 5418 1 9 . 1 1 5 5 SER C C 5 174.320 174.320 174.583 -0.263 19522 5419 1 9 . 1 1 5 5 SER CA C 5 57.898 57.898 58.801 -0.903 19522 5420 1 9 . 1 1 5 5 SER CB C 5 62.533 62.533 63.522 -0.988 19522 5421 1 9 . 1 1 5 5 SER H H 5 8.224 8.224 8.672 -0.448 19522 5422 1 9 . 1 1 6 6 GLN N N 6 122.369 122.369 119.217 3.152 19522 5423 1 9 . 1 1 6 6 GLN C C 6 176.418 176.418 176.274 0.144 19522 5424 1 9 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.207 -0.307 19522 5425 1 9 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.723 1.087 19522 5426 1 9 . 1 1 6 6 GLN H H 6 8.337 8.337 8.680 -0.343 19522 5427 1 9 . 1 1 7 7 SER N N 7 116.584 116.584 115.352 1.232 19522 5428 1 9 . 1 1 7 7 SER C C 7 175.859 175.859 175.982 -0.123 19522 5429 1 9 . 1 1 7 7 SER CA C 7 56.260 56.260 61.181 -4.920 19522 5430 1 9 . 1 1 7 7 SER CB C 7 61.916 61.916 62.747 -0.831 19522 5431 1 9 . 1 1 7 7 SER H H 7 8.221 8.221 8.836 -0.615 19522 5432 1 9 . 1 1 8 8 ASN N N 8 119.373 119.373 120.481 -1.108 19522 5433 1 9 . 1 1 8 8 ASN C C 8 177.259 177.259 177.281 -0.022 19522 5434 1 9 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.045 -2.838 19522 5435 1 9 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.231 -1.567 19522 5436 1 9 . 1 1 8 8 ASN H H 8 8.375 8.375 7.931 0.444 19522 5437 1 9 . 1 1 9 9 ARG N N 9 119.039 119.039 121.427 -2.388 19522 5438 1 9 . 1 1 9 9 ARG C C 9 176.977 176.977 178.507 -1.530 19522 5439 1 9 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.144 -1.138 19522 5440 1 9 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.219 1.091 19522 5441 1 9 . 1 1 9 9 ARG H H 9 7.815 7.815 8.606 -0.791 19522 5442 1 9 . 1 1 10 10 GLU N N 10 117.158 117.158 119.912 -2.754 19522 5443 1 9 . 1 1 10 10 GLU C C 10 179.475 179.475 179.342 0.133 19522 5444 1 9 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.342 -3.845 19522 5445 1 9 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.124 -0.131 19522 5446 1 9 . 1 1 10 10 GLU H H 10 7.949 7.949 8.451 -0.502 19522 5447 1 9 . 1 1 11 11 LEU N N 11 119.880 119.880 120.340 -0.460 19522 5448 1 9 . 1 1 11 11 LEU C C 11 178.096 178.096 178.901 -0.805 19522 5449 1 9 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.884 -0.683 19522 5450 1 9 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.477 -1.559 19522 5451 1 9 . 1 1 11 11 LEU H H 11 7.807 7.807 7.630 0.177 19522 5452 1 9 . 1 1 12 12 VAL N N 12 117.702 117.702 119.856 -2.154 19522 5453 1 9 . 1 1 12 12 VAL C C 12 176.377 176.377 178.573 -2.196 19522 5454 1 9 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.230 -0.142 19522 5455 1 9 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.239 -0.271 19522 5456 1 9 . 1 1 12 12 VAL H H 12 7.690 7.690 8.050 -0.360 19522 5457 1 9 . 1 1 13 13 VAL N N 13 116.258 116.258 115.490 0.768 19522 5458 1 9 . 1 1 13 13 VAL C C 13 178.416 178.416 177.249 1.167 19522 5459 1 9 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.885 0.027 19522 5460 1 9 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.741 -2.148 19522 5461 1 9 . 1 1 13 13 VAL H H 13 8.225 8.225 8.136 0.089 19522 5462 1 9 . 1 1 14 14 ASP N N 14 120.362 120.362 122.424 -2.062 19522 5463 1 9 . 1 1 14 14 ASP C C 14 177.040 177.040 177.830 -0.790 19522 5464 1 9 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.803 0.175 19522 5465 1 9 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.101 1.157 19522 5466 1 9 . 1 1 14 14 ASP H H 14 7.967 7.967 7.817 0.150 19522 5467 1 9 . 1 1 15 15 PHE N N 15 119.747 119.747 120.299 -0.552 19522 5468 1 9 . 1 1 15 15 PHE C C 15 177.876 177.876 177.359 0.517 19522 5469 1 9 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.293 1.182 19522 5470 1 9 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.233 -0.652 19522 5471 1 9 . 1 1 15 15 PHE H H 15 8.308 8.308 8.238 0.070 19522 5472 1 9 . 1 1 16 16 LEU N N 16 116.203 116.203 120.154 -3.951 19522 5473 1 9 . 1 1 16 16 LEU C C 16 175.618 175.618 178.432 -2.814 19522 5474 1 9 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.385 -0.807 19522 5475 1 9 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.813 -1.473 19522 5476 1 9 . 1 1 16 16 LEU H H 16 8.718 8.718 8.019 0.699 19522 5477 1 9 . 1 1 17 17 SER N N 17 113.607 113.607 115.332 -1.725 19522 5478 1 9 . 1 1 17 17 SER C C 17 176.980 176.980 176.423 0.557 19522 5479 1 9 . 1 1 17 17 SER CA C 17 62.150 62.150 62.339 -0.189 19522 5480 1 9 . 1 1 17 17 SER CB C 17 60.854 60.854 62.899 -2.045 19522 5481 1 9 . 1 1 17 17 SER H H 17 8.338 8.338 8.328 0.010 19522 5482 1 9 . 1 1 18 18 TYR N N 18 124.591 124.591 122.554 2.037 19522 5483 1 9 . 1 1 18 18 TYR C C 18 177.996 177.996 176.855 1.141 19522 5484 1 9 . 1 1 18 18 TYR CA C 18 59.279 59.279 61.052 -1.773 19522 5485 1 9 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.462 -2.117 19522 5486 1 9 . 1 1 18 18 TYR H H 18 8.228 8.228 8.207 0.021 19522 5487 1 9 . 1 1 19 19 LYS N N 19 119.761 119.761 118.128 1.633 19522 5488 1 9 . 1 1 19 19 LYS C C 19 179.841 179.841 178.330 1.511 19522 5489 1 9 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.534 -1.451 19522 5490 1 9 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.454 -3.804 19522 5491 1 9 . 1 1 19 19 LYS H H 19 8.230 8.230 7.434 0.796 19522 5492 1 9 . 1 1 20 20 LEU N N 20 118.077 118.077 119.639 -1.562 19522 5493 1 9 . 1 1 20 20 LEU C C 20 179.654 179.654 177.172 2.482 19522 5494 1 9 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.847 1.131 19522 5495 1 9 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.854 -2.416 19522 5496 1 9 . 1 1 20 20 LEU H H 20 8.534 8.534 8.128 0.406 19522 5497 1 9 . 1 1 21 21 SER N N 21 117.073 117.073 111.104 5.969 19522 5498 1 9 . 1 1 21 21 SER C C 21 178.204 178.204 173.933 4.271 19522 5499 1 9 . 1 1 21 21 SER CA C 21 60.375 60.375 57.774 2.601 19522 5500 1 9 . 1 1 21 21 SER CB C 21 61.836 61.836 62.045 -0.209 19522 5501 1 9 . 1 1 21 21 SER H H 21 8.239 8.239 7.346 0.893 19522 5502 1 9 . 1 1 22 22 GLN N N 22 122.767 122.767 121.368 1.399 19522 5503 1 9 . 1 1 22 22 GLN C C 22 176.997 176.997 176.480 0.517 19522 5504 1 9 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.465 0.112 19522 5505 1 9 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.386 -2.254 19522 5506 1 9 . 1 1 22 22 GLN H H 22 7.632 7.632 7.516 0.116 19522 5507 1 9 . 1 1 23 23 LYS N N 23 116.016 116.016 117.768 -1.752 19522 5508 1 9 . 1 1 23 23 LYS C C 23 175.419 175.419 174.832 0.587 19522 5509 1 9 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.282 -3.339 19522 5510 1 9 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.262 -3.214 19522 5511 1 9 . 1 1 23 23 LYS H H 23 7.167 7.167 8.228 -1.061 19522 5512 1 9 . 1 1 24 24 GLY N N 24 105.329 105.329 111.924 -6.595 19522 5513 1 9 . 1 1 24 24 GLY C C 24 173.680 173.680 172.734 0.946 19522 5514 1 9 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.970 -0.657 19522 5515 1 9 . 1 1 24 24 GLY H H 24 7.504 7.504 8.371 -0.867 19522 5516 1 9 . 1 1 25 25 TYR N N 25 119.528 119.528 114.434 5.094 19522 5517 1 9 . 1 1 25 25 TYR C C 25 174.779 174.779 174.142 0.637 19522 5518 1 9 . 1 1 25 25 TYR CA C 25 57.761 57.761 54.285 3.476 19522 5519 1 9 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.268 1.033 19522 5520 1 9 . 1 1 25 25 TYR H H 25 7.817 7.817 7.061 0.756 19522 5521 1 9 . 1 1 26 26 SER N N 26 115.815 115.815 121.877 -6.062 19522 5522 1 9 . 1 1 26 26 SER C C 26 173.860 173.860 175.806 -1.946 19522 5523 1 9 . 1 1 26 26 SER CA C 26 56.083 56.083 57.192 -1.109 19522 5524 1 9 . 1 1 26 26 SER CB C 26 63.275 63.275 63.517 -0.242 19522 5525 1 9 . 1 1 26 26 SER H H 26 8.475 8.475 8.153 0.322 19522 5526 1 9 . 1 1 27 27 TRP N N 27 126.476 126.476 121.714 4.762 19522 5527 1 9 . 1 1 27 27 TRP C C 27 174.141 174.141 177.270 -3.129 19522 5528 1 9 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.626 -0.226 19522 5529 1 9 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.065 0.145 19522 5530 1 9 . 1 1 27 27 TRP H H 27 8.720 8.720 7.716 1.004 19522 5531 1 9 . 1 1 28 28 SER N N 28 114.011 114.011 114.514 -0.503 19522 5532 1 9 . 1 1 28 28 SER C C 28 172.859 172.859 175.605 -2.746 19522 5533 1 9 . 1 1 28 28 SER CA C 28 66.186 66.186 60.482 5.704 19522 5534 1 9 . 1 1 28 28 SER CB C 28 61.996 61.996 62.438 -0.442 19522 5535 1 9 . 1 1 28 28 SER H H 28 8.034 8.034 7.747 0.287 19522 5536 1 9 . 1 1 29 29 GLN N N 29 120.138 120.138 120.160 -0.022 19522 5537 1 9 . 1 1 29 29 GLN C C 29 177.250 177.250 177.028 0.222 19522 5538 1 9 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.996 -2.826 19522 5539 1 9 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.063 -0.724 19522 5540 1 9 . 1 1 29 29 GLN H H 29 7.323 7.323 7.396 -0.073 19522 5541 1 9 . 1 1 30 30 PHE N N 30 113.775 113.775 119.005 -5.230 19522 5542 1 9 . 1 1 30 30 PHE C C 30 176.814 176.814 176.985 -0.171 19522 5543 1 9 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.753 -3.590 19522 5544 1 9 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.443 -1.603 19522 5545 1 9 . 1 1 30 30 PHE H H 30 6.778 6.778 7.438 -0.660 19522 5546 1 9 . 1 1 87 87 ALA N N 87 124.732 124.732 124.554 0.178 19522 5547 1 9 . 1 1 87 87 ALA C C 87 175.941 175.941 176.692 -0.751 19522 5548 1 9 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.065 -2.215 19522 5549 1 9 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.508 -1.942 19522 5550 1 9 . 1 1 87 87 ALA H H 87 8.079 8.079 8.903 -0.824 19522 5551 1 9 . 1 1 88 88 ALA N N 88 121.664 121.664 120.867 0.797 19522 5552 1 9 . 1 1 88 88 ALA C C 88 177.523 177.523 177.616 -0.093 19522 5553 1 9 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.312 3.840 19522 5554 1 9 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.095 0.368 19522 5555 1 9 . 1 1 88 88 ALA H H 88 7.951 7.951 7.693 0.258 19522 5556 1 9 . 1 1 89 89 VAL N N 89 119.415 119.415 118.738 0.677 19522 5557 1 9 . 1 1 89 89 VAL C C 89 176.857 176.857 176.602 0.255 19522 5558 1 9 . 1 1 89 89 VAL CA C 89 61.836 61.836 65.992 -4.156 19522 5559 1 9 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.531 -0.460 19522 5560 1 9 . 1 1 89 89 VAL H H 89 8.161 8.161 8.189 -0.028 19522 5561 1 9 . 1 1 90 90 LYS N N 90 121.221 121.221 119.573 1.648 19522 5562 1 9 . 1 1 90 90 LYS C C 90 175.559 175.559 178.201 -2.642 19522 5563 1 9 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.623 -3.540 19522 5564 1 9 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.724 -2.811 19522 5565 1 9 . 1 1 90 90 LYS H H 90 8.529 8.529 8.342 0.187 19522 5566 1 9 . 1 1 91 91 GLN N N 91 115.879 115.879 119.051 -3.172 19522 5567 1 9 . 1 1 91 91 GLN C C 91 176.950 176.950 178.060 -1.110 19522 5568 1 9 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.537 -0.616 19522 5569 1 9 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.887 -0.651 19522 5570 1 9 . 1 1 91 91 GLN H H 91 7.973 7.973 7.884 0.089 19522 5571 1 9 . 1 1 92 92 ALA N N 92 119.538 119.538 123.079 -3.541 19522 5572 1 9 . 1 1 92 92 ALA C C 92 179.537 179.537 179.757 -0.220 19522 5573 1 9 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.196 -0.951 19522 5574 1 9 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.103 -1.336 19522 5575 1 9 . 1 1 92 92 ALA H H 92 7.661 7.661 8.072 -0.411 19522 5576 1 9 . 1 1 93 93 LEU N N 93 120.236 120.236 118.944 1.292 19522 5577 1 9 . 1 1 93 93 LEU C C 93 179.075 179.075 179.258 -0.183 19522 5578 1 9 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.419 0.368 19522 5579 1 9 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.472 0.085 19522 5580 1 9 . 1 1 93 93 LEU H H 93 8.544 8.544 8.339 0.205 19522 5581 1 9 . 1 1 94 94 ARG N N 94 118.361 118.361 120.132 -1.771 19522 5582 1 9 . 1 1 94 94 ARG C C 94 178.396 178.396 178.475 -0.079 19522 5583 1 9 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.518 0.218 19522 5584 1 9 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.662 -1.571 19522 5585 1 9 . 1 1 94 94 ARG H H 94 8.057 8.057 7.983 0.074 19522 5586 1 9 . 1 1 95 95 GLU N N 95 115.851 115.851 119.276 -3.425 19522 5587 1 9 . 1 1 95 95 GLU C C 95 179.794 179.794 179.183 0.611 19522 5588 1 9 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.671 -1.454 19522 5589 1 9 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.339 -1.248 19522 5590 1 9 . 1 1 95 95 GLU H H 95 7.737 7.737 8.162 -0.425 19522 5591 1 9 . 1 1 96 96 ALA N N 96 122.958 122.958 120.903 2.055 19522 5592 1 9 . 1 1 96 96 ALA C C 96 181.313 181.313 180.081 1.232 19522 5593 1 9 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.980 -0.678 19522 5594 1 9 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.456 -0.753 19522 5595 1 9 . 1 1 96 96 ALA H H 96 8.824 8.824 8.056 0.768 19522 5596 1 9 . 1 1 97 97 GLY N N 97 108.363 108.363 107.210 1.153 19522 5597 1 9 . 1 1 97 97 GLY C C 97 178.177 178.177 176.259 1.918 19522 5598 1 9 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.277 -1.286 19522 5599 1 9 . 1 1 97 97 GLY H H 97 9.088 9.088 8.210 0.878 19522 5600 1 9 . 1 1 98 98 ASP N N 98 122.197 122.197 122.074 0.123 19522 5601 1 9 . 1 1 98 98 ASP C C 98 178.715 178.715 178.642 0.073 19522 5602 1 9 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.625 -0.606 19522 5603 1 9 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.129 -2.650 19522 5604 1 9 . 1 1 98 98 ASP H H 98 8.102 8.102 8.459 -0.357 19522 5605 1 9 . 1 1 99 99 GLU N N 99 120.103 120.103 118.998 1.105 19522 5606 1 9 . 1 1 99 99 GLU C C 99 179.513 179.513 178.850 0.663 19522 5607 1 9 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.207 -5.455 19522 5608 1 9 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.749 -1.258 19522 5609 1 9 . 1 1 99 99 GLU H H 99 8.115 8.115 7.843 0.272 19522 5610 1 9 . 1 1 100 100 PHE N N 100 120.218 120.218 118.485 1.733 19522 5611 1 9 . 1 1 100 100 PHE C C 100 178.618 178.618 178.395 0.223 19522 5612 1 9 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.099 -3.639 19522 5613 1 9 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.916 0.420 19522 5614 1 9 . 1 1 100 100 PHE H H 100 8.535 8.535 7.996 0.539 19522 5615 1 9 . 1 1 101 101 GLU N N 101 117.531 117.531 121.894 -4.363 19522 5616 1 9 . 1 1 101 101 GLU C C 101 177.339 177.339 178.907 -1.568 19522 5617 1 9 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.182 -2.581 19522 5618 1 9 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.898 -1.305 19522 5619 1 9 . 1 1 101 101 GLU H H 101 8.032 8.032 8.732 -0.700 19522 5620 1 9 . 1 1 102 102 LEU N N 102 116.641 116.641 115.886 0.755 19522 5621 1 9 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.808 -1.220 19522 5622 1 9 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.558 -0.785 19522 5623 1 9 . 1 1 102 102 LEU H H 102 7.369 7.369 7.831 -0.462 19522 5624 1 9 . 1 1 103 103 ARG N N 103 115.854 115.854 118.319 -2.465 19522 5625 1 9 . 1 1 103 103 ARG C C 103 177.605 177.605 177.580 0.025 19522 5626 1 9 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.199 0.788 19522 5627 1 9 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.178 -0.028 19522 5628 1 9 . 1 1 103 103 ARG H H 103 7.472 7.472 7.771 -0.299 19522 5629 1 9 . 1 1 104 104 TYR N N 104 119.078 119.078 119.507 -0.429 19522 5630 1 9 . 1 1 104 104 TYR C C 104 174.962 174.962 176.983 -2.021 19522 5631 1 9 . 1 1 104 104 TYR CA C 104 60.841 60.841 60.703 0.138 19522 5632 1 9 . 1 1 104 104 TYR CB C 104 36.628 36.628 39.276 -2.648 19522 5633 1 9 . 1 1 104 104 TYR H H 104 7.904 7.904 8.053 -0.149 19522 5634 1 9 . 1 1 105 105 ARG N N 105 119.378 119.378 119.177 0.201 19522 5635 1 9 . 1 1 105 105 ARG C C 105 178.395 178.395 177.015 1.380 19522 5636 1 9 . 1 1 105 105 ARG CA C 105 57.921 57.921 57.006 0.915 19522 5637 1 9 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.095 -1.301 19522 5638 1 9 . 1 1 105 105 ARG H H 105 7.195 7.195 8.585 -1.390 19522 5639 1 9 . 1 1 106 106 ARG N N 106 118.875 118.875 119.854 -0.979 19522 5640 1 9 . 1 1 106 106 ARG C C 106 177.257 177.257 176.135 1.122 19522 5641 1 9 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.484 1.431 19522 5642 1 9 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.359 -2.805 19522 5643 1 9 . 1 1 106 106 ARG H H 106 8.452 8.452 7.803 0.649 19522 5644 1 9 . 1 1 107 107 ALA N N 107 121.864 121.864 121.253 0.611 19522 5645 1 9 . 1 1 107 107 ALA C C 107 175.701 175.701 176.401 -0.700 19522 5646 1 9 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.666 0.978 19522 5647 1 9 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.246 -0.183 19522 5648 1 9 . 1 1 107 107 ALA H H 107 7.839 7.839 7.828 0.011 19522 5649 1 9 . 1 1 108 108 PHE N N 108 121.984 121.984 116.769 5.215 19522 5650 1 9 . 1 1 108 108 PHE C C 108 174.982 174.982 174.579 0.403 19522 5651 1 9 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.164 -0.122 19522 5652 1 9 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.209 0.629 19522 5653 1 9 . 1 1 108 108 PHE H H 108 8.392 8.392 8.018 0.374 19522 5654 1 9 . 1 1 109 109 SER N N 109 114.585 114.585 116.698 -2.113 19522 5655 1 9 . 1 1 109 109 SER C C 109 175.421 175.421 175.206 0.215 19522 5656 1 9 . 1 1 109 109 SER CA C 109 55.044 55.044 56.530 -1.486 19522 5657 1 9 . 1 1 109 109 SER CB C 109 63.241 63.241 65.529 -2.288 19522 5658 1 9 . 1 1 109 109 SER H H 109 7.810 7.810 7.940 -0.130 19522 5659 1 9 . 1 1 110 110 ASP N N 110 119.725 119.725 122.759 -3.034 19522 5660 1 9 . 1 1 110 110 ASP C C 110 178.196 178.196 178.837 -0.641 19522 5661 1 9 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.938 -1.958 19522 5662 1 9 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.885 -3.045 19522 5663 1 9 . 1 1 110 110 ASP H H 110 8.380 8.380 8.764 -0.384 19522 5664 1 9 . 1 1 111 111 LEU N N 111 120.827 120.827 120.505 0.322 19522 5665 1 9 . 1 1 111 111 LEU C C 111 178.804 178.804 178.619 0.185 19522 5666 1 9 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.511 -1.412 19522 5667 1 9 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.516 -0.719 19522 5668 1 9 . 1 1 111 111 LEU H H 111 7.783 7.783 8.780 -0.997 19522 5669 1 9 . 1 1 112 112 THR N N 112 109.101 109.101 112.815 -3.714 19522 5670 1 9 . 1 1 112 112 THR C C 112 177.157 177.157 177.423 -0.266 19522 5671 1 9 . 1 1 112 112 THR CA C 112 64.690 64.690 66.199 -1.509 19522 5672 1 9 . 1 1 112 112 THR CB C 112 67.407 67.407 68.305 -0.898 19522 5673 1 9 . 1 1 112 112 THR H H 112 8.331 8.331 7.946 0.385 19522 5674 1 9 . 1 1 113 113 SER N N 113 115.811 115.811 117.922 -2.111 19522 5675 1 9 . 1 1 113 113 SER C C 113 175.319 175.319 176.228 -0.909 19522 5676 1 9 . 1 1 113 113 SER CA C 113 59.736 59.736 60.935 -1.199 19522 5677 1 9 . 1 1 113 113 SER CB C 113 62.213 62.213 62.992 -0.779 19522 5678 1 9 . 1 1 113 113 SER H H 113 7.645 7.645 7.825 -0.180 19522 5679 1 9 . 1 1 114 114 GLN N N 114 118.421 118.421 122.394 -3.973 19522 5680 1 9 . 1 1 114 114 GLN C C 114 175.978 175.978 177.468 -1.490 19522 5681 1 9 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.231 -1.772 19522 5682 1 9 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.502 -0.491 19522 5683 1 9 . 1 1 114 114 GLN H H 114 7.614 7.614 8.097 -0.483 19522 5684 1 9 . 1 1 115 115 LEU N N 115 118.236 118.236 118.025 0.211 19522 5685 1 9 . 1 1 115 115 LEU C C 115 176.198 176.198 177.231 -1.033 19522 5686 1 9 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.881 -1.077 19522 5687 1 9 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.732 -0.177 19522 5688 1 9 . 1 1 115 115 LEU H H 115 7.383 7.383 8.058 -0.675 19522 5689 1 9 . 1 1 116 116 HIS N N 116 119.694 119.694 117.576 2.118 19522 5690 1 9 . 1 1 116 116 HIS C C 116 174.122 174.122 174.374 -0.252 19522 5691 1 9 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.081 -0.702 19522 5692 1 9 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.241 -0.991 19522 5693 1 9 . 1 1 116 116 HIS H H 116 8.158 8.158 8.152 0.006 19522 5694 1 9 . 1 1 117 117 ILE N N 117 122.347 122.347 114.540 7.807 19522 5695 1 9 . 1 1 117 117 ILE C C 117 176.377 176.377 175.427 0.950 19522 5696 1 9 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.941 -1.224 19522 5697 1 9 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.424 1.800 19522 5698 1 9 . 1 1 117 117 ILE H H 117 8.658 8.658 8.144 0.514 19522 5699 1 9 . 1 1 118 118 THR N N 118 115.798 115.798 118.303 -2.505 19522 5700 1 9 . 1 1 118 118 THR CA C 118 57.921 57.921 59.731 -1.810 19522 5701 1 9 . 1 1 118 118 THR CB C 118 63.434 63.434 68.621 -5.187 19522 5702 1 9 . 1 1 118 118 THR H H 118 8.227 8.227 8.120 0.107 19522 5703 1 9 . 1 1 120 120 GLY N N 120 109.574 109.574 108.077 1.497 19522 5704 1 9 . 1 1 120 120 GLY C C 120 180.495 180.495 173.421 7.074 19522 5705 1 9 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.821 -1.427 19522 5706 1 9 . 1 1 120 120 GLY H H 120 8.429 8.429 8.023 0.406 19522 5707 1 9 . 1 1 121 121 THR N N 121 113.419 113.419 115.037 -1.618 19522 5708 1 9 . 1 1 121 121 THR C C 121 178.096 178.096 174.691 3.405 19522 5709 1 9 . 1 1 121 121 THR CA C 121 62.041 62.041 62.246 -0.205 19522 5710 1 9 . 1 1 121 121 THR CB C 121 63.994 63.994 66.919 -2.925 19522 5711 1 9 . 1 1 121 121 THR H H 121 7.774 7.774 8.420 -0.646 19522 5712 1 9 . 1 1 122 122 ALA N N 122 121.876 121.876 123.537 -1.661 19522 5713 1 9 . 1 1 122 122 ALA C C 122 177.397 177.397 176.657 0.740 19522 5714 1 9 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.318 -0.694 19522 5715 1 9 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.735 -2.210 19522 5716 1 9 . 1 1 122 122 ALA H H 122 7.944 7.944 7.960 -0.016 19522 5717 1 9 . 1 1 123 123 TYR N N 123 120.931 120.931 113.255 7.676 19522 5718 1 9 . 1 1 123 123 TYR C C 123 176.060 176.060 176.762 -0.702 19522 5719 1 9 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.822 1.233 19522 5720 1 9 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.076 -1.594 19522 5721 1 9 . 1 1 123 123 TYR H H 123 8.748 8.748 7.821 0.927 19522 5722 1 9 . 1 1 124 124 GLN N N 124 115.002 115.002 121.646 -6.644 19522 5723 1 9 . 1 1 124 124 GLN C C 124 178.098 178.098 178.314 -0.216 19522 5724 1 9 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.262 -0.622 19522 5725 1 9 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.404 -1.888 19522 5726 1 9 . 1 1 124 124 GLN H H 124 8.454 8.454 7.462 0.992 19522 5727 1 9 . 1 1 125 125 SER N N 125 114.135 114.135 115.365 -1.230 19522 5728 1 9 . 1 1 125 125 SER C C 125 179.557 179.557 176.087 3.470 19522 5729 1 9 . 1 1 125 125 SER CA C 125 61.357 61.357 61.365 -0.008 19522 5730 1 9 . 1 1 125 125 SER CB C 125 61.357 61.357 62.726 -1.369 19522 5731 1 9 . 1 1 125 125 SER H H 125 7.283 7.283 7.603 -0.320 19522 5732 1 9 . 1 1 126 126 PHE N N 126 113.327 113.327 123.856 -10.529 19522 5733 1 9 . 1 1 126 126 PHE C C 126 174.879 174.879 176.827 -1.948 19522 5734 1 9 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.652 0.465 19522 5735 1 9 . 1 1 126 126 PHE CB C 126 37.703 37.703 38.989 -1.286 19522 5736 1 9 . 1 1 126 126 PHE H H 126 6.606 6.606 7.926 -1.320 19522 5737 1 9 . 1 1 127 127 GLU N N 127 119.398 119.398 118.920 0.478 19522 5738 1 9 . 1 1 127 127 GLU C C 127 176.857 176.857 178.785 -1.928 19522 5739 1 9 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.838 -1.780 19522 5740 1 9 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.294 -0.404 19522 5741 1 9 . 1 1 127 127 GLU H H 127 8.546 8.546 8.166 0.380 19522 5742 1 9 . 1 1 128 128 GLN N N 128 114.754 114.754 119.470 -4.716 19522 5743 1 9 . 1 1 128 128 GLN C C 128 178.356 178.356 178.585 -0.229 19522 5744 1 9 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.551 -0.471 19522 5745 1 9 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.443 -1.448 19522 5746 1 9 . 1 1 128 128 GLN H H 128 7.525 7.525 7.852 -0.327 19522 5747 1 9 . 1 1 129 129 VAL N N 129 118.194 118.194 119.530 -1.336 19522 5748 1 9 . 1 1 129 129 VAL C C 129 177.756 177.756 178.737 -0.981 19522 5749 1 9 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.326 -1.236 19522 5750 1 9 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.265 -1.016 19522 5751 1 9 . 1 1 129 129 VAL H H 129 7.036 7.036 7.877 -0.841 19522 5752 1 9 . 1 1 130 130 VAL N N 130 119.459 119.459 119.653 -0.194 19522 5753 1 9 . 1 1 130 130 VAL C C 130 177.714 177.714 177.513 0.201 19522 5754 1 9 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.019 -0.610 19522 5755 1 9 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.181 -0.709 19522 5756 1 9 . 1 1 130 130 VAL H H 130 7.831 7.831 8.215 -0.384 19522 5757 1 9 . 1 1 131 131 ASN N N 131 117.212 117.212 117.313 -0.101 19522 5758 1 9 . 1 1 131 131 ASN C C 131 178.775 178.775 177.314 1.461 19522 5759 1 9 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.571 -1.927 19522 5760 1 9 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.504 -2.239 19522 5761 1 9 . 1 1 131 131 ASN H H 131 8.374 8.374 8.371 0.003 19522 5762 1 9 . 1 1 132 132 GLU N N 132 118.393 118.393 119.448 -1.055 19522 5763 1 9 . 1 1 132 132 GLU C C 132 179.097 179.097 178.106 0.991 19522 5764 1 9 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.640 -0.662 19522 5765 1 9 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.403 -2.031 19522 5766 1 9 . 1 1 132 132 GLU H H 132 7.226 7.226 7.569 -0.343 19522 5767 1 9 . 1 1 133 133 LEU N N 133 120.835 120.835 118.960 1.875 19522 5768 1 9 . 1 1 133 133 LEU C C 133 178.016 178.016 177.864 0.152 19522 5769 1 9 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.202 -0.400 19522 5770 1 9 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.782 -2.001 19522 5771 1 9 . 1 1 133 133 LEU H H 133 7.467 7.467 7.394 0.073 19522 5772 1 9 . 1 1 134 134 PHE N N 134 112.847 112.847 117.767 -4.920 19522 5773 1 9 . 1 1 134 134 PHE C C 134 176.258 176.258 177.475 -1.217 19522 5774 1 9 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.654 -3.115 19522 5775 1 9 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.070 -0.207 19522 5776 1 9 . 1 1 134 134 PHE H H 134 6.926 6.926 7.218 -0.292 19522 5777 1 9 . 1 1 135 135 ARG N N 135 123.664 123.664 117.409 6.255 19522 5778 1 9 . 1 1 135 135 ARG C C 135 176.957 176.957 176.089 0.868 19522 5779 1 9 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.795 1.141 19522 5780 1 9 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.302 -2.291 19522 5781 1 9 . 1 1 135 135 ARG H H 135 7.144 7.144 7.819 -0.675 19522 5782 1 9 . 1 1 136 136 ASP N N 136 116.448 116.448 116.033 0.415 19522 5783 1 9 . 1 1 136 136 ASP C C 136 175.339 175.339 176.841 -1.502 19522 5784 1 9 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.284 -0.941 19522 5785 1 9 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.452 -4.854 19522 5786 1 9 . 1 1 136 136 ASP H H 136 8.607 8.607 7.547 1.060 19522 5787 1 9 . 1 1 137 137 GLY N N 137 108.506 108.506 109.502 -0.996 19522 5788 1 9 . 1 1 137 137 GLY C C 137 172.324 172.324 173.890 -1.566 19522 5789 1 9 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.865 -2.070 19522 5790 1 9 . 1 1 137 137 GLY H H 137 7.468 7.468 8.427 -0.959 19522 5791 1 9 . 1 1 138 138 VAL N N 138 120.519 120.519 124.785 -4.266 19522 5792 1 9 . 1 1 138 138 VAL C C 138 174.160 174.160 174.871 -0.711 19522 5793 1 9 . 1 1 138 138 VAL CA C 138 61.893 61.893 62.269 -0.376 19522 5794 1 9 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.750 1.058 19522 5795 1 9 . 1 1 138 138 VAL H H 138 8.181 8.181 8.433 -0.252 19522 5796 1 9 . 1 1 139 139 ASN N N 139 115.573 115.573 123.888 -8.315 19522 5797 1 9 . 1 1 139 139 ASN C C 139 174.959 174.959 175.450 -0.491 19522 5798 1 9 . 1 1 139 139 ASN CA C 139 51.025 51.025 52.496 -1.471 19522 5799 1 9 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.743 -2.104 19522 5800 1 9 . 1 1 139 139 ASN H H 139 6.261 6.261 7.601 -1.340 19522 5801 1 9 . 1 1 140 140 TRP N N 140 118.231 118.231 126.208 -7.977 19522 5802 1 9 . 1 1 140 140 TRP C C 140 177.976 177.976 177.720 0.256 19522 5803 1 9 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.336 0.799 19522 5804 1 9 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.128 -0.519 19522 5805 1 9 . 1 1 140 140 TRP H H 140 8.413 8.413 8.842 -0.429 19522 5806 1 9 . 1 1 141 141 GLY N N 141 106.238 106.238 106.514 -0.276 19522 5807 1 9 . 1 1 141 141 GLY C C 141 177.297 177.297 175.919 1.378 19522 5808 1 9 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.880 -0.409 19522 5809 1 9 . 1 1 141 141 GLY H H 141 8.494 8.494 8.795 -0.301 19522 5810 1 9 . 1 1 142 142 ARG N N 142 121.156 121.156 121.744 -0.588 19522 5811 1 9 . 1 1 142 142 ARG C C 142 177.457 177.457 178.139 -0.682 19522 5812 1 9 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.586 -0.088 19522 5813 1 9 . 1 1 142 142 ARG CB C 142 29.609 29.609 29.998 -0.389 19522 5814 1 9 . 1 1 142 142 ARG H H 142 8.104 8.104 7.320 0.784 19522 5815 1 9 . 1 1 143 143 ILE N N 143 120.888 120.888 120.548 0.340 19522 5816 1 9 . 1 1 143 143 ILE C C 143 177.756 177.756 177.427 0.329 19522 5817 1 9 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.350 1.539 19522 5818 1 9 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.871 -2.268 19522 5819 1 9 . 1 1 143 143 ILE H H 143 7.696 7.696 7.669 0.027 19522 5820 1 9 . 1 1 144 144 VAL N N 144 120.958 120.958 119.270 1.688 19522 5821 1 9 . 1 1 144 144 VAL C C 144 177.557 177.557 177.637 -0.080 19522 5822 1 9 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.831 0.257 19522 5823 1 9 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.086 0.003 19522 5824 1 9 . 1 1 144 144 VAL H H 144 8.229 8.229 7.556 0.673 19522 5825 1 9 . 1 1 145 145 ALA N N 145 121.229 121.229 122.652 -1.423 19522 5826 1 9 . 1 1 145 145 ALA C C 145 177.999 177.999 178.890 -0.891 19522 5827 1 9 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.908 -0.847 19522 5828 1 9 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.125 -1.142 19522 5829 1 9 . 1 1 145 145 ALA H H 145 7.579 7.579 7.477 0.102 19522 5830 1 9 . 1 1 146 146 PHE N N 146 119.338 119.338 120.001 -0.663 19522 5831 1 9 . 1 1 146 146 PHE C C 146 179.432 179.432 177.098 2.334 19522 5832 1 9 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.917 -0.748 19522 5833 1 9 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.069 -1.206 19522 5834 1 9 . 1 1 146 146 PHE H H 146 7.985 7.985 8.233 -0.248 19522 5835 1 9 . 1 1 147 147 PHE N N 147 119.900 119.900 117.651 2.249 19522 5836 1 9 . 1 1 147 147 PHE C C 147 177.399 177.399 177.687 -0.288 19522 5837 1 9 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.340 -3.220 19522 5838 1 9 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.353 1.085 19522 5839 1 9 . 1 1 147 147 PHE H H 147 7.824 7.824 8.469 -0.645 19522 5840 1 9 . 1 1 148 148 SER N N 148 114.725 114.725 116.441 -1.716 19522 5841 1 9 . 1 1 148 148 SER C C 148 177.357 177.357 176.311 1.046 19522 5842 1 9 . 1 1 148 148 SER CA C 148 63.115 63.115 62.242 0.873 19522 5843 1 9 . 1 1 148 148 SER CB C 148 61.893 61.893 62.435 -0.542 19522 5844 1 9 . 1 1 148 148 SER H H 148 8.423 8.423 7.946 0.477 19522 5845 1 9 . 1 1 149 149 PHE N N 149 124.361 124.361 121.307 3.054 19522 5846 1 9 . 1 1 149 149 PHE C C 149 176.338 176.338 178.142 -1.804 19522 5847 1 9 . 1 1 149 149 PHE CA C 149 59.336 59.336 60.710 -1.374 19522 5848 1 9 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.226 -0.945 19522 5849 1 9 . 1 1 149 149 PHE H H 149 9.097 9.097 8.123 0.974 19522 5850 1 9 . 1 1 150 150 GLY N N 150 105.935 105.935 106.117 -0.182 19522 5851 1 9 . 1 1 150 150 GLY C C 150 176.398 176.398 176.198 0.200 19522 5852 1 9 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.701 0.329 19522 5853 1 9 . 1 1 150 150 GLY H H 150 7.937 7.937 7.958 -0.021 19522 5854 1 9 . 1 1 151 151 GLY N N 151 107.449 107.449 109.915 -2.466 19522 5855 1 9 . 1 1 151 151 GLY C C 151 174.300 174.300 175.527 -1.227 19522 5856 1 9 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.711 0.239 19522 5857 1 9 . 1 1 151 151 GLY H H 151 8.803 8.803 8.468 0.335 19522 5858 1 9 . 1 1 152 152 ALA N N 152 124.384 124.384 123.989 0.395 19522 5859 1 9 . 1 1 152 152 ALA C C 152 177.636 177.636 179.446 -1.810 19522 5860 1 9 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.539 -0.397 19522 5861 1 9 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.471 -1.408 19522 5862 1 9 . 1 1 152 152 ALA H H 152 8.232 8.232 8.016 0.216 19522 5863 1 9 . 1 1 153 153 LEU N N 153 118.871 118.871 119.937 -1.066 19522 5864 1 9 . 1 1 153 153 LEU C C 153 179.937 179.937 178.590 1.347 19522 5865 1 9 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.373 -0.785 19522 5866 1 9 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.700 -1.040 19522 5867 1 9 . 1 1 153 153 LEU H H 153 8.159 8.159 7.662 0.497 19522 5868 1 9 . 1 1 154 154 CYS N N 154 118.554 118.554 118.005 0.549 19522 5869 1 9 . 1 1 154 154 CYS C C 154 177.332 177.332 176.662 0.670 19522 5870 1 9 . 1 1 154 154 CYS CA C 154 60.296 60.296 63.082 -2.786 19522 5871 1 9 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.345 -2.108 19522 5872 1 9 . 1 1 154 154 CYS H H 154 8.049 8.049 8.452 -0.403 19522 5873 1 9 . 1 1 155 155 VAL N N 155 118.474 118.474 121.595 -3.121 19522 5874 1 9 . 1 1 155 155 VAL C C 155 175.723 175.723 178.510 -2.787 19522 5875 1 9 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.746 -0.617 19522 5876 1 9 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.894 -0.166 19522 5877 1 9 . 1 1 155 155 VAL H H 155 8.016 8.016 7.545 0.471 19522 5878 1 9 . 1 1 156 156 GLU N N 156 119.114 119.114 118.486 0.628 19522 5879 1 9 . 1 1 156 156 GLU C C 156 178.036 178.036 179.078 -1.042 19522 5880 1 9 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.313 2.965 19522 5881 1 9 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.906 -1.454 19522 5882 1 9 . 1 1 156 156 GLU H H 156 8.025 8.025 7.905 0.120 19522 5883 1 9 . 1 1 157 157 SER N N 157 113.391 113.391 116.552 -3.161 19522 5884 1 9 . 1 1 157 157 SER C C 157 175.299 175.299 176.247 -0.948 19522 5885 1 9 . 1 1 157 157 SER CA C 157 62.373 62.373 62.385 -0.012 19522 5886 1 9 . 1 1 157 157 SER CB C 157 60.854 60.854 63.242 -2.388 19522 5887 1 9 . 1 1 157 157 SER H H 157 7.629 7.629 7.977 -0.348 19522 5888 1 9 . 1 1 158 158 VAL N N 158 120.493 120.493 121.328 -0.835 19522 5889 1 9 . 1 1 158 158 VAL C C 158 173.977 173.977 177.587 -3.610 19522 5890 1 9 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.605 1.124 19522 5891 1 9 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.987 -1.378 19522 5892 1 9 . 1 1 158 158 VAL H H 158 7.374 7.374 7.624 -0.250 19522 5893 1 9 . 1 1 159 159 ASP N N 159 123.215 123.215 121.825 1.390 19522 5894 1 9 . 1 1 159 159 ASP C C 159 177.696 177.696 177.653 0.043 19522 5895 1 9 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.702 -0.083 19522 5896 1 9 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.972 -1.054 19522 5897 1 9 . 1 1 159 159 ASP H H 159 8.309 8.309 8.423 -0.114 19522 5898 1 9 . 1 1 160 160 LYS N N 160 115.648 115.648 117.931 -2.283 19522 5899 1 9 . 1 1 160 160 LYS C C 160 174.839 174.839 175.504 -0.665 19522 5900 1 9 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.703 -0.602 19522 5901 1 9 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.036 -2.548 19522 5902 1 9 . 1 1 160 160 LYS H H 160 7.541 7.541 7.486 0.055 19522 5903 1 9 . 1 1 161 161 GLU N N 161 113.911 113.911 118.709 -4.798 19522 5904 1 9 . 1 1 161 161 GLU C C 161 175.781 175.781 176.566 -0.785 19522 5905 1 9 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.109 -1.330 19522 5906 1 9 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.145 -3.091 19522 5907 1 9 . 1 1 161 161 GLU H H 161 7.842 7.842 7.961 -0.119 19522 5908 1 9 . 1 1 162 162 MET N N 162 118.882 118.882 116.652 2.230 19522 5909 1 9 . 1 1 162 162 MET C C 162 176.597 176.597 177.072 -0.475 19522 5910 1 9 . 1 1 162 162 MET CA C 162 52.646 52.646 56.672 -4.026 19522 5911 1 9 . 1 1 162 162 MET CB C 162 30.488 30.488 33.666 -3.178 19522 5912 1 9 . 1 1 162 162 MET H H 162 8.420 8.420 8.823 -0.403 19522 5913 1 9 . 1 1 163 163 GLN N N 163 119.366 119.366 117.303 2.063 19522 5914 1 9 . 1 1 163 163 GLN C C 163 177.397 177.397 177.050 0.347 19522 5915 1 9 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.466 0.710 19522 5916 1 9 . 1 1 163 163 GLN CB C 163 26.093 26.093 26.918 -0.825 19522 5917 1 9 . 1 1 163 163 GLN H H 163 8.615 8.615 8.164 0.451 19522 5918 1 9 . 1 1 164 164 VAL N N 164 116.957 116.957 120.433 -3.476 19522 5919 1 9 . 1 1 164 164 VAL C C 164 175.459 175.459 177.550 -2.091 19522 5920 1 9 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.570 -2.718 19522 5921 1 9 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.504 -1.415 19522 5922 1 9 . 1 1 164 164 VAL H H 164 7.938 7.938 7.942 -0.004 19522 5923 1 9 . 1 1 165 165 LEU N N 165 117.124 117.124 119.370 -2.246 19522 5924 1 9 . 1 1 165 165 LEU C C 165 177.714 177.714 178.456 -0.742 19522 5925 1 9 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.214 -2.531 19522 5926 1 9 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.896 -2.218 19522 5927 1 9 . 1 1 165 165 LEU H H 165 7.741 7.741 7.500 0.241 19522 5928 1 9 . 1 1 166 166 VAL N N 166 119.434 119.434 117.934 1.500 19522 5929 1 9 . 1 1 166 166 VAL C C 166 176.817 176.817 177.936 -1.119 19522 5930 1 9 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.237 1.611 19522 5931 1 9 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.126 -1.756 19522 5932 1 9 . 1 1 166 166 VAL H H 166 7.342 7.342 7.809 -0.467 19522 5933 1 9 . 1 1 167 167 SER N N 167 110.775 110.775 116.134 -5.359 19522 5934 1 9 . 1 1 167 167 SER C C 167 176.737 176.737 176.439 0.298 19522 5935 1 9 . 1 1 167 167 SER CA C 167 60.215 60.215 61.799 -1.584 19522 5936 1 9 . 1 1 167 167 SER CB C 167 61.654 61.654 62.734 -1.080 19522 5937 1 9 . 1 1 167 167 SER H H 167 8.099 8.099 8.279 -0.180 19522 5938 1 9 . 1 1 168 168 ARG N N 168 122.916 122.916 119.951 2.965 19522 5939 1 9 . 1 1 168 168 ARG C C 168 175.439 175.439 177.744 -2.305 19522 5940 1 9 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.799 3.816 19522 5941 1 9 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.249 -2.238 19522 5942 1 9 . 1 1 168 168 ARG H H 168 6.596 6.596 7.618 -1.022 19522 5943 1 9 . 1 1 169 169 ILE N N 169 118.335 118.335 121.146 -2.811 19522 5944 1 9 . 1 1 169 169 ILE C C 169 177.779 177.779 177.650 0.129 19522 5945 1 9 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.663 -1.532 19522 5946 1 9 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.729 -0.768 19522 5947 1 9 . 1 1 169 169 ILE H H 169 7.928 7.928 7.794 0.134 19522 5948 1 9 . 1 1 170 170 ALA N N 170 119.271 119.271 121.043 -1.772 19522 5949 1 9 . 1 1 170 170 ALA C C 170 179.195 179.195 179.124 0.071 19522 5950 1 9 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.479 -1.577 19522 5951 1 9 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.842 -1.018 19522 5952 1 9 . 1 1 170 170 ALA H H 170 7.672 7.672 8.138 -0.466 19522 5953 1 9 . 1 1 171 171 ALA N N 171 120.393 120.393 121.934 -1.541 19522 5954 1 9 . 1 1 171 171 ALA C C 171 180.833 180.833 179.570 1.263 19522 5955 1 9 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.601 -0.459 19522 5956 1 9 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.755 -1.251 19522 5957 1 9 . 1 1 171 171 ALA H H 171 7.258 7.258 7.501 -0.243 19522 5958 1 9 . 1 1 172 172 TRP N N 172 121.501 121.501 118.682 2.819 19522 5959 1 9 . 1 1 172 172 TRP C C 172 179.350 179.350 178.518 0.832 19522 5960 1 9 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.154 -2.135 19522 5961 1 9 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.703 -1.411 19522 5962 1 9 . 1 1 172 172 TRP H H 172 8.936 8.936 7.924 1.012 19522 5963 1 9 . 1 1 173 173 MET N N 173 117.211 117.211 119.557 -2.346 19522 5964 1 9 . 1 1 173 173 MET C C 173 176.158 176.158 178.246 -2.088 19522 5965 1 9 . 1 1 173 173 MET CA C 173 60.238 60.238 59.354 0.884 19522 5966 1 9 . 1 1 173 173 MET CB C 173 28.833 28.833 32.898 -4.065 19522 5967 1 9 . 1 1 173 173 MET H H 173 8.885 8.885 8.593 0.292 19522 5968 1 9 . 1 1 174 174 ALA N N 174 120.901 120.901 120.882 0.019 19522 5969 1 9 . 1 1 174 174 ALA C C 174 178.875 178.875 179.547 -0.672 19522 5970 1 9 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.601 -0.740 19522 5971 1 9 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.035 -1.348 19522 5972 1 9 . 1 1 174 174 ALA H H 174 8.206 8.206 8.401 -0.195 19522 5973 1 9 . 1 1 175 175 THR N N 175 116.591 116.591 117.235 -0.644 19522 5974 1 9 . 1 1 175 175 THR C C 175 174.782 174.782 176.737 -1.955 19522 5975 1 9 . 1 1 175 175 THR CA C 175 66.209 66.209 66.907 -0.698 19522 5976 1 9 . 1 1 175 175 THR CB C 175 68.046 68.046 68.654 -0.608 19522 5977 1 9 . 1 1 175 175 THR H H 175 8.530 8.530 7.916 0.614 19522 5978 1 9 . 1 1 176 176 TYR N N 176 123.375 123.375 123.102 0.273 19522 5979 1 9 . 1 1 176 176 TYR C C 176 179.255 179.255 177.157 2.098 19522 5980 1 9 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.161 2.212 19522 5981 1 9 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.588 -0.725 19522 5982 1 9 . 1 1 176 176 TYR H H 176 8.822 8.822 8.515 0.307 19522 5983 1 9 . 1 1 177 177 LEU N N 177 119.511 119.511 121.268 -1.757 19522 5984 1 9 . 1 1 177 177 LEU C C 177 177.979 177.979 178.363 -0.384 19522 5985 1 9 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.490 -0.033 19522 5986 1 9 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.901 -0.625 19522 5987 1 9 . 1 1 177 177 LEU H H 177 8.759 8.759 8.697 0.062 19522 5988 1 9 . 1 1 178 178 ASN N N 178 117.233 117.233 116.405 0.828 19522 5989 1 9 . 1 1 178 178 ASN C C 178 176.021 176.021 176.721 -0.700 19522 5990 1 9 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.990 -0.147 19522 5991 1 9 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.463 -0.360 19522 5992 1 9 . 1 1 178 178 ASN H H 178 8.333 8.333 7.964 0.369 19522 5993 1 9 . 1 1 179 179 ASP N N 179 115.264 115.264 119.276 -4.012 19522 5994 1 9 . 1 1 179 179 ASP C C 179 177.557 177.557 176.945 0.612 19522 5995 1 9 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.655 -0.755 19522 5996 1 9 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.423 -2.144 19522 5997 1 9 . 1 1 179 179 ASP H H 179 8.451 8.451 7.881 0.570 19522 5998 1 9 . 1 1 180 180 HIS N N 180 111.728 111.728 114.608 -2.880 19522 5999 1 9 . 1 1 180 180 HIS C C 180 175.479 175.479 176.873 -1.394 19522 6000 1 9 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.182 -0.761 19522 6001 1 9 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.274 -2.665 19522 6002 1 9 . 1 1 180 180 HIS H H 180 8.073 8.073 7.779 0.294 19522 6003 1 9 . 1 1 181 181 LEU N N 181 116.833 116.833 122.269 -5.436 19522 6004 1 9 . 1 1 181 181 LEU C C 181 176.160 176.160 178.393 -2.233 19522 6005 1 9 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.596 -3.575 19522 6006 1 9 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.809 -0.053 19522 6007 1 9 . 1 1 181 181 LEU H H 181 7.183 7.183 7.667 -0.484 19522 6008 1 9 . 1 1 182 182 GLU N N 182 121.364 121.364 118.827 2.537 19522 6009 1 9 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.760 -0.746 19522 6010 1 9 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.606 -1.650 19522 6011 1 9 . 1 1 182 182 GLU H H 182 8.596 8.596 8.667 -0.071 19522 6012 1 9 . 1 1 184 184 TRP N N 184 117.804 117.804 118.554 -0.750 19522 6013 1 9 . 1 1 184 184 TRP C C 184 179.217 179.217 177.825 1.392 19522 6014 1 9 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.343 6.329 19522 6015 1 9 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.972 -0.899 19522 6016 1 9 . 1 1 184 184 TRP H H 184 7.070 7.070 7.583 -0.513 19522 6017 1 9 . 1 1 185 185 ILE N N 185 121.825 121.825 119.157 2.668 19522 6018 1 9 . 1 1 185 185 ILE C C 185 178.655 178.655 177.129 1.526 19522 6019 1 9 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.735 0.537 19522 6020 1 9 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.710 -1.765 19522 6021 1 9 . 1 1 185 185 ILE H H 185 8.396 8.396 7.949 0.447 19522 6022 1 9 . 1 1 186 186 GLN N N 186 116.489 116.489 115.076 1.413 19522 6023 1 9 . 1 1 186 186 GLN C C 186 179.035 179.035 176.335 2.700 19522 6024 1 9 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.613 1.205 19522 6025 1 9 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.944 -2.131 19522 6026 1 9 . 1 1 186 186 GLN H H 186 8.374 8.374 7.624 0.750 19522 6027 1 9 . 1 1 187 187 GLU N N 187 118.764 118.764 119.732 -0.968 19522 6028 1 9 . 1 1 187 187 GLU C C 187 176.458 176.458 177.361 -0.903 19522 6029 1 9 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.278 -0.259 19522 6030 1 9 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.267 -1.856 19522 6031 1 9 . 1 1 187 187 GLU H H 187 7.515 7.515 7.545 -0.030 19522 6032 1 9 . 1 1 188 188 ASN N N 188 116.561 116.561 115.981 0.580 19522 6033 1 9 . 1 1 188 188 ASN C C 188 173.620 173.620 174.877 -1.257 19522 6034 1 9 . 1 1 188 188 ASN CA C 188 52.863 52.863 52.907 -0.044 19522 6035 1 9 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.391 -3.670 19522 6036 1 9 . 1 1 188 188 ASN H H 188 7.092 7.092 7.741 -0.649 19522 6037 1 9 . 1 1 189 189 GLY N N 189 104.897 104.897 104.584 0.313 19522 6038 1 9 . 1 1 189 189 GLY C C 189 175.658 175.658 172.113 3.545 19522 6039 1 9 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.895 -0.103 19522 6040 1 9 . 1 1 189 189 GLY H H 189 7.339 7.339 7.112 0.227 19522 6041 1 9 . 1 1 190 190 GLY N N 190 108.292 108.292 106.698 1.594 19522 6042 1 9 . 1 1 190 190 GLY C C 190 173.021 173.021 174.534 -1.513 19522 6043 1 9 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.798 -2.444 19522 6044 1 9 . 1 1 190 190 GLY H H 190 8.462 8.462 9.319 -0.857 19522 6045 1 9 . 1 1 191 191 TRP N N 191 118.031 118.031 121.680 -3.649 19522 6046 1 9 . 1 1 191 191 TRP C C 191 178.136 178.136 177.059 1.077 19522 6047 1 9 . 1 1 191 191 TRP CA C 191 59.416 59.416 59.593 -0.177 19522 6048 1 9 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.213 -0.563 19522 6049 1 9 . 1 1 191 191 TRP H H 191 8.673 8.673 8.400 0.273 19522 6050 1 9 . 1 1 192 192 ASP N N 192 117.298 117.298 119.653 -2.355 19522 6051 1 9 . 1 1 192 192 ASP C C 192 179.058 179.058 177.635 1.423 19522 6052 1 9 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.411 0.448 19522 6053 1 9 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.553 -0.274 19522 6054 1 9 . 1 1 192 192 ASP H H 192 8.846 8.846 8.156 0.690 19522 6055 1 9 . 1 1 193 193 THR N N 193 116.061 116.061 111.597 4.464 19522 6056 1 9 . 1 1 193 193 THR C C 193 174.979 174.979 176.066 -1.087 19522 6057 1 9 . 1 1 193 193 THR CA C 193 65.649 65.649 63.879 1.770 19522 6058 1 9 . 1 1 193 193 THR CB C 193 67.327 67.327 68.584 -1.257 19522 6059 1 9 . 1 1 193 193 THR H H 193 7.431 7.431 7.381 0.050 19522 6060 1 9 . 1 1 194 194 PHE N N 194 121.789 121.789 123.244 -1.455 19522 6061 1 9 . 1 1 194 194 PHE C C 194 176.418 176.418 176.687 -0.269 19522 6062 1 9 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.149 -0.135 19522 6063 1 9 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.114 -2.233 19522 6064 1 9 . 1 1 194 194 PHE H H 194 6.527 6.527 7.925 -1.398 19522 6065 1 9 . 1 1 195 195 VAL N N 195 116.988 116.988 117.025 -0.037 19522 6066 1 9 . 1 1 195 195 VAL C C 195 178.078 178.078 177.965 0.113 19522 6067 1 9 . 1 1 195 195 VAL CA C 195 65.752 65.752 65.405 0.347 19522 6068 1 9 . 1 1 195 195 VAL CB C 195 30.488 30.488 31.053 -0.565 19522 6069 1 9 . 1 1 195 195 VAL H H 195 7.747 7.747 7.967 -0.220 19522 6070 1 9 . 1 1 196 196 GLU N N 196 120.171 120.171 119.873 0.298 19522 6071 1 9 . 1 1 196 196 GLU C C 196 177.976 177.976 178.492 -0.516 19522 6072 1 9 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.397 -1.077 19522 6073 1 9 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.335 -0.662 19522 6074 1 9 . 1 1 196 196 GLU H H 196 7.497 7.497 7.679 -0.182 19522 6075 1 9 . 1 1 197 197 LEU N N 197 117.210 117.210 113.316 3.894 19522 6076 1 9 . 1 1 197 197 LEU C C 197 178.376 178.376 176.649 1.727 19522 6077 1 9 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.519 0.381 19522 6078 1 9 . 1 1 197 197 LEU CB C 197 42.395 42.395 40.553 1.842 19522 6079 1 9 . 1 1 197 197 LEU H H 197 7.626 7.626 7.417 0.209 19522 6080 1 9 . 1 1 198 198 TYR N N 198 115.681 115.681 119.995 -4.314 19522 6081 1 9 . 1 1 198 198 TYR C C 198 176.577 176.577 176.179 0.398 19522 6082 1 9 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.669 -0.292 19522 6083 1 9 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.563 -3.042 19522 6084 1 9 . 1 1 198 198 TYR H H 198 8.081 8.081 7.666 0.415 19522 6085 1 9 . 1 1 199 199 GLY N N 199 108.201 108.201 105.130 3.071 19522 6086 1 9 . 1 1 199 199 GLY C C 199 173.640 173.640 174.842 -1.202 19522 6087 1 9 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.258 -0.705 19522 6088 1 9 . 1 1 199 199 GLY H H 199 8.032 8.032 8.430 -0.398 19522 6089 1 9 . 1 1 200 200 ASN N N 200 118.385 118.385 119.162 -0.777 19522 6090 1 9 . 1 1 200 200 ASN C C 200 175.081 175.081 174.755 0.326 19522 6091 1 9 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.188 -0.404 19522 6092 1 9 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.986 -2.545 19522 6093 1 9 . 1 1 200 200 ASN H H 200 8.300 8.300 8.075 0.225 19522 6094 1 10 . 1 1 5 5 SER N N 5 116.171 116.171 120.121 -3.950 19522 6095 1 10 . 1 1 5 5 SER C C 5 174.320 174.320 174.492 -0.172 19522 6096 1 10 . 1 1 5 5 SER CA C 5 57.898 57.898 59.080 -1.182 19522 6097 1 10 . 1 1 5 5 SER CB C 5 62.533 62.533 63.593 -1.060 19522 6098 1 10 . 1 1 5 5 SER H H 5 8.224 8.224 8.603 -0.379 19522 6099 1 10 . 1 1 6 6 GLN N N 6 122.369 122.369 118.604 3.765 19522 6100 1 10 . 1 1 6 6 GLN C C 6 176.418 176.418 176.177 0.241 19522 6101 1 10 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.079 -0.179 19522 6102 1 10 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.815 0.995 19522 6103 1 10 . 1 1 6 6 GLN H H 6 8.337 8.337 8.476 -0.139 19522 6104 1 10 . 1 1 7 7 SER N N 7 116.584 116.584 115.210 1.374 19522 6105 1 10 . 1 1 7 7 SER C C 7 175.859 175.859 176.238 -0.379 19522 6106 1 10 . 1 1 7 7 SER CA C 7 56.260 56.260 60.891 -4.631 19522 6107 1 10 . 1 1 7 7 SER CB C 7 61.916 61.916 62.771 -0.855 19522 6108 1 10 . 1 1 7 7 SER H H 7 8.221 8.221 8.862 -0.641 19522 6109 1 10 . 1 1 8 8 ASN N N 8 119.373 119.373 120.609 -1.236 19522 6110 1 10 . 1 1 8 8 ASN C C 8 177.259 177.259 177.180 0.079 19522 6111 1 10 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.002 -2.795 19522 6112 1 10 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.254 -1.590 19522 6113 1 10 . 1 1 8 8 ASN H H 8 8.375 8.375 7.938 0.437 19522 6114 1 10 . 1 1 9 9 ARG N N 9 119.039 119.039 121.448 -2.409 19522 6115 1 10 . 1 1 9 9 ARG C C 9 176.977 176.977 178.545 -1.568 19522 6116 1 10 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.317 -1.311 19522 6117 1 10 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.202 1.108 19522 6118 1 10 . 1 1 9 9 ARG H H 9 7.815 7.815 8.659 -0.844 19522 6119 1 10 . 1 1 10 10 GLU N N 10 117.158 117.158 119.667 -2.509 19522 6120 1 10 . 1 1 10 10 GLU C C 10 179.475 179.475 179.284 0.191 19522 6121 1 10 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.209 -3.712 19522 6122 1 10 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.127 -0.134 19522 6123 1 10 . 1 1 10 10 GLU H H 10 7.949 7.949 8.386 -0.437 19522 6124 1 10 . 1 1 11 11 LEU N N 11 119.880 119.880 120.431 -0.551 19522 6125 1 10 . 1 1 11 11 LEU C C 11 178.096 178.096 178.872 -0.776 19522 6126 1 10 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.798 -0.597 19522 6127 1 10 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.380 -1.462 19522 6128 1 10 . 1 1 11 11 LEU H H 11 7.807 7.807 7.677 0.130 19522 6129 1 10 . 1 1 12 12 VAL N N 12 117.702 117.702 119.790 -2.088 19522 6130 1 10 . 1 1 12 12 VAL C C 12 176.377 176.377 178.432 -2.055 19522 6131 1 10 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.138 -0.050 19522 6132 1 10 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.178 -0.210 19522 6133 1 10 . 1 1 12 12 VAL H H 12 7.690 7.690 8.154 -0.464 19522 6134 1 10 . 1 1 13 13 VAL N N 13 116.258 116.258 115.375 0.883 19522 6135 1 10 . 1 1 13 13 VAL C C 13 178.416 178.416 177.252 1.164 19522 6136 1 10 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.868 0.044 19522 6137 1 10 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.708 -2.115 19522 6138 1 10 . 1 1 13 13 VAL H H 13 8.225 8.225 7.939 0.286 19522 6139 1 10 . 1 1 14 14 ASP N N 14 120.362 120.362 122.340 -1.978 19522 6140 1 10 . 1 1 14 14 ASP C C 14 177.040 177.040 177.768 -0.728 19522 6141 1 10 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.429 0.549 19522 6142 1 10 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.083 1.175 19522 6143 1 10 . 1 1 14 14 ASP H H 14 7.967 7.967 7.852 0.115 19522 6144 1 10 . 1 1 15 15 PHE N N 15 119.747 119.747 120.512 -0.765 19522 6145 1 10 . 1 1 15 15 PHE C C 15 177.876 177.876 177.406 0.470 19522 6146 1 10 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.386 1.089 19522 6147 1 10 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.056 -0.474 19522 6148 1 10 . 1 1 15 15 PHE H H 15 8.308 8.308 8.400 -0.092 19522 6149 1 10 . 1 1 16 16 LEU N N 16 116.203 116.203 119.475 -3.272 19522 6150 1 10 . 1 1 16 16 LEU C C 16 175.618 175.618 178.734 -3.116 19522 6151 1 10 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.406 -0.828 19522 6152 1 10 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.597 -1.257 19522 6153 1 10 . 1 1 16 16 LEU H H 16 8.718 8.718 7.962 0.756 19522 6154 1 10 . 1 1 17 17 SER N N 17 113.607 113.607 115.578 -1.971 19522 6155 1 10 . 1 1 17 17 SER C C 17 176.980 176.980 176.474 0.506 19522 6156 1 10 . 1 1 17 17 SER CA C 17 62.150 62.150 62.121 0.029 19522 6157 1 10 . 1 1 17 17 SER CB C 17 60.854 60.854 62.898 -2.044 19522 6158 1 10 . 1 1 17 17 SER H H 17 8.338 8.338 8.192 0.146 19522 6159 1 10 . 1 1 18 18 TYR N N 18 124.591 124.591 122.605 1.986 19522 6160 1 10 . 1 1 18 18 TYR C C 18 177.996 177.996 176.781 1.215 19522 6161 1 10 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.639 -1.361 19522 6162 1 10 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.473 -2.128 19522 6163 1 10 . 1 1 18 18 TYR H H 18 8.228 8.228 8.214 0.014 19522 6164 1 10 . 1 1 19 19 LYS N N 19 119.761 119.761 118.205 1.556 19522 6165 1 10 . 1 1 19 19 LYS C C 19 179.841 179.841 178.367 1.474 19522 6166 1 10 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.267 -1.184 19522 6167 1 10 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.392 -3.742 19522 6168 1 10 . 1 1 19 19 LYS H H 19 8.230 8.230 7.369 0.861 19522 6169 1 10 . 1 1 20 20 LEU N N 20 118.077 118.077 119.425 -1.348 19522 6170 1 10 . 1 1 20 20 LEU C C 20 179.654 179.654 177.313 2.341 19522 6171 1 10 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.976 1.002 19522 6172 1 10 . 1 1 20 20 LEU CB C 20 39.438 39.438 42.052 -2.614 19522 6173 1 10 . 1 1 20 20 LEU H H 20 8.534 8.534 7.931 0.603 19522 6174 1 10 . 1 1 21 21 SER N N 21 117.073 117.073 111.607 5.466 19522 6175 1 10 . 1 1 21 21 SER C C 21 178.204 178.204 173.835 4.369 19522 6176 1 10 . 1 1 21 21 SER CA C 21 60.375 60.375 58.372 2.003 19522 6177 1 10 . 1 1 21 21 SER CB C 21 61.836 61.836 62.283 -0.447 19522 6178 1 10 . 1 1 21 21 SER H H 21 8.239 8.239 7.428 0.811 19522 6179 1 10 . 1 1 22 22 GLN N N 22 122.767 122.767 120.991 1.776 19522 6180 1 10 . 1 1 22 22 GLN C C 22 176.997 176.997 175.073 1.924 19522 6181 1 10 . 1 1 22 22 GLN CA C 22 57.578 57.578 56.470 1.108 19522 6182 1 10 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.908 -2.776 19522 6183 1 10 . 1 1 22 22 GLN H H 22 7.632 7.632 7.505 0.127 19522 6184 1 10 . 1 1 23 23 LYS N N 23 116.016 116.016 117.794 -1.778 19522 6185 1 10 . 1 1 23 23 LYS C C 23 175.419 175.419 174.742 0.677 19522 6186 1 10 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.207 -3.264 19522 6187 1 10 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.648 -2.600 19522 6188 1 10 . 1 1 23 23 LYS H H 23 7.167 7.167 8.359 -1.192 19522 6189 1 10 . 1 1 24 24 GLY N N 24 105.329 105.329 112.585 -7.256 19522 6190 1 10 . 1 1 24 24 GLY C C 24 173.680 173.680 172.643 1.037 19522 6191 1 10 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.630 -0.317 19522 6192 1 10 . 1 1 24 24 GLY H H 24 7.504 7.504 8.093 -0.589 19522 6193 1 10 . 1 1 25 25 TYR N N 25 119.528 119.528 114.556 4.972 19522 6194 1 10 . 1 1 25 25 TYR C C 25 174.779 174.779 174.342 0.437 19522 6195 1 10 . 1 1 25 25 TYR CA C 25 57.761 57.761 54.668 3.093 19522 6196 1 10 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.264 1.037 19522 6197 1 10 . 1 1 25 25 TYR H H 25 7.817 7.817 6.764 1.053 19522 6198 1 10 . 1 1 26 26 SER N N 26 115.815 115.815 122.101 -6.286 19522 6199 1 10 . 1 1 26 26 SER C C 26 173.860 173.860 175.942 -2.082 19522 6200 1 10 . 1 1 26 26 SER CA C 26 56.083 56.083 57.676 -1.593 19522 6201 1 10 . 1 1 26 26 SER CB C 26 63.275 63.275 63.478 -0.203 19522 6202 1 10 . 1 1 26 26 SER H H 26 8.475 8.475 8.204 0.271 19522 6203 1 10 . 1 1 27 27 TRP N N 27 126.476 126.476 121.282 5.194 19522 6204 1 10 . 1 1 27 27 TRP C C 27 174.141 174.141 177.072 -2.931 19522 6205 1 10 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.011 0.389 19522 6206 1 10 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.207 0.003 19522 6207 1 10 . 1 1 27 27 TRP H H 27 8.720 8.720 7.755 0.965 19522 6208 1 10 . 1 1 28 28 SER N N 28 114.011 114.011 115.227 -1.216 19522 6209 1 10 . 1 1 28 28 SER C C 28 172.859 172.859 175.400 -2.541 19522 6210 1 10 . 1 1 28 28 SER CA C 28 66.186 66.186 60.368 5.818 19522 6211 1 10 . 1 1 28 28 SER CB C 28 61.996 61.996 62.165 -0.169 19522 6212 1 10 . 1 1 28 28 SER H H 28 8.034 8.034 7.776 0.258 19522 6213 1 10 . 1 1 29 29 GLN N N 29 120.138 120.138 118.882 1.256 19522 6214 1 10 . 1 1 29 29 GLN C C 29 177.250 177.250 175.975 1.275 19522 6215 1 10 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.107 -1.937 19522 6216 1 10 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.066 -0.727 19522 6217 1 10 . 1 1 29 29 GLN H H 29 7.323 7.323 7.465 -0.142 19522 6218 1 10 . 1 1 30 30 PHE N N 30 113.775 113.775 118.643 -4.868 19522 6219 1 10 . 1 1 30 30 PHE C C 30 176.814 176.814 176.722 0.092 19522 6220 1 10 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.792 -2.629 19522 6221 1 10 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.041 -2.201 19522 6222 1 10 . 1 1 30 30 PHE H H 30 6.778 6.778 7.706 -0.928 19522 6223 1 10 . 1 1 87 87 ALA N N 87 124.732 124.732 125.114 -0.382 19522 6224 1 10 . 1 1 87 87 ALA C C 87 175.941 175.941 177.035 -1.094 19522 6225 1 10 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.555 -2.705 19522 6226 1 10 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.401 -1.835 19522 6227 1 10 . 1 1 87 87 ALA H H 87 8.079 8.079 8.948 -0.869 19522 6228 1 10 . 1 1 88 88 ALA N N 88 121.664 121.664 119.618 2.046 19522 6229 1 10 . 1 1 88 88 ALA C C 88 177.523 177.523 177.760 -0.237 19522 6230 1 10 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.229 3.922 19522 6231 1 10 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.016 0.447 19522 6232 1 10 . 1 1 88 88 ALA H H 88 7.951 7.951 7.623 0.328 19522 6233 1 10 . 1 1 89 89 VAL N N 89 119.415 119.415 118.899 0.516 19522 6234 1 10 . 1 1 89 89 VAL C C 89 176.857 176.857 176.653 0.204 19522 6235 1 10 . 1 1 89 89 VAL CA C 89 61.836 61.836 65.989 -4.153 19522 6236 1 10 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.435 -0.364 19522 6237 1 10 . 1 1 89 89 VAL H H 89 8.161 8.161 8.296 -0.135 19522 6238 1 10 . 1 1 90 90 LYS N N 90 121.221 121.221 119.143 2.078 19522 6239 1 10 . 1 1 90 90 LYS C C 90 175.559 175.559 178.330 -2.771 19522 6240 1 10 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.911 -3.828 19522 6241 1 10 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.891 -2.978 19522 6242 1 10 . 1 1 90 90 LYS H H 90 8.529 8.529 8.231 0.298 19522 6243 1 10 . 1 1 91 91 GLN N N 91 115.879 115.879 118.577 -2.698 19522 6244 1 10 . 1 1 91 91 GLN C C 91 176.950 176.950 178.053 -1.103 19522 6245 1 10 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.474 -0.553 19522 6246 1 10 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.081 -0.845 19522 6247 1 10 . 1 1 91 91 GLN H H 91 7.973 7.973 7.552 0.421 19522 6248 1 10 . 1 1 92 92 ALA N N 92 119.538 119.538 123.300 -3.762 19522 6249 1 10 . 1 1 92 92 ALA C C 92 179.537 179.537 179.939 -0.402 19522 6250 1 10 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.387 -1.142 19522 6251 1 10 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.368 -1.601 19522 6252 1 10 . 1 1 92 92 ALA H H 92 7.661 7.661 8.107 -0.446 19522 6253 1 10 . 1 1 93 93 LEU N N 93 120.236 120.236 118.688 1.548 19522 6254 1 10 . 1 1 93 93 LEU C C 93 179.075 179.075 179.383 -0.308 19522 6255 1 10 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.400 0.387 19522 6256 1 10 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.614 -0.057 19522 6257 1 10 . 1 1 93 93 LEU H H 93 8.544 8.544 8.365 0.179 19522 6258 1 10 . 1 1 94 94 ARG N N 94 118.361 118.361 120.422 -2.061 19522 6259 1 10 . 1 1 94 94 ARG C C 94 178.396 178.396 178.605 -0.209 19522 6260 1 10 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.567 0.169 19522 6261 1 10 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.718 -1.627 19522 6262 1 10 . 1 1 94 94 ARG H H 94 8.057 8.057 8.088 -0.031 19522 6263 1 10 . 1 1 95 95 GLU N N 95 115.851 115.851 119.486 -3.635 19522 6264 1 10 . 1 1 95 95 GLU C C 95 179.794 179.794 179.086 0.708 19522 6265 1 10 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.681 -1.464 19522 6266 1 10 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.370 -1.279 19522 6267 1 10 . 1 1 95 95 GLU H H 95 7.737 7.737 8.470 -0.733 19522 6268 1 10 . 1 1 96 96 ALA N N 96 122.958 122.958 120.946 2.012 19522 6269 1 10 . 1 1 96 96 ALA C C 96 181.313 181.313 180.165 1.148 19522 6270 1 10 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.161 -0.859 19522 6271 1 10 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.426 -0.723 19522 6272 1 10 . 1 1 96 96 ALA H H 96 8.824 8.824 8.036 0.788 19522 6273 1 10 . 1 1 97 97 GLY N N 97 108.363 108.363 107.222 1.141 19522 6274 1 10 . 1 1 97 97 GLY C C 97 178.177 178.177 176.266 1.911 19522 6275 1 10 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.398 -1.407 19522 6276 1 10 . 1 1 97 97 GLY H H 97 9.088 9.088 8.338 0.750 19522 6277 1 10 . 1 1 98 98 ASP N N 98 122.197 122.197 122.027 0.170 19522 6278 1 10 . 1 1 98 98 ASP C C 98 178.715 178.715 178.773 -0.058 19522 6279 1 10 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.778 -0.759 19522 6280 1 10 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.225 -2.746 19522 6281 1 10 . 1 1 98 98 ASP H H 98 8.102 8.102 8.375 -0.273 19522 6282 1 10 . 1 1 99 99 GLU N N 99 120.103 120.103 119.377 0.726 19522 6283 1 10 . 1 1 99 99 GLU C C 99 179.513 179.513 178.910 0.603 19522 6284 1 10 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.390 -5.638 19522 6285 1 10 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.786 -1.295 19522 6286 1 10 . 1 1 99 99 GLU H H 99 8.115 8.115 8.088 0.027 19522 6287 1 10 . 1 1 100 100 PHE N N 100 120.218 120.218 118.446 1.772 19522 6288 1 10 . 1 1 100 100 PHE C C 100 178.618 178.618 177.696 0.922 19522 6289 1 10 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.261 -3.801 19522 6290 1 10 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.850 0.486 19522 6291 1 10 . 1 1 100 100 PHE H H 100 8.535 8.535 8.220 0.315 19522 6292 1 10 . 1 1 101 101 GLU N N 101 117.531 117.531 121.264 -3.733 19522 6293 1 10 . 1 1 101 101 GLU C C 101 177.339 177.339 179.074 -1.735 19522 6294 1 10 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.124 -2.523 19522 6295 1 10 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.780 -1.187 19522 6296 1 10 . 1 1 101 101 GLU H H 101 8.032 8.032 8.547 -0.515 19522 6297 1 10 . 1 1 102 102 LEU N N 102 116.641 116.641 116.118 0.523 19522 6298 1 10 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.892 -1.304 19522 6299 1 10 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.599 -0.826 19522 6300 1 10 . 1 1 102 102 LEU H H 102 7.369 7.369 7.779 -0.410 19522 6301 1 10 . 1 1 103 103 ARG N N 103 115.854 115.854 118.714 -2.860 19522 6302 1 10 . 1 1 103 103 ARG C C 103 177.605 177.605 178.205 -0.600 19522 6303 1 10 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.374 0.613 19522 6304 1 10 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.294 -0.144 19522 6305 1 10 . 1 1 103 103 ARG H H 103 7.472 7.472 7.816 -0.344 19522 6306 1 10 . 1 1 104 104 TYR N N 104 119.078 119.078 119.608 -0.530 19522 6307 1 10 . 1 1 104 104 TYR C C 104 174.962 174.962 177.655 -2.693 19522 6308 1 10 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.418 -0.577 19522 6309 1 10 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.588 -1.960 19522 6310 1 10 . 1 1 104 104 TYR H H 104 7.904 7.904 8.101 -0.197 19522 6311 1 10 . 1 1 105 105 ARG N N 105 119.378 119.378 118.670 0.708 19522 6312 1 10 . 1 1 105 105 ARG C C 105 178.395 178.395 177.154 1.241 19522 6313 1 10 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.997 0.924 19522 6314 1 10 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.249 -1.455 19522 6315 1 10 . 1 1 105 105 ARG H H 105 7.195 7.195 8.493 -1.298 19522 6316 1 10 . 1 1 106 106 ARG N N 106 118.875 118.875 119.608 -0.733 19522 6317 1 10 . 1 1 106 106 ARG C C 106 177.257 177.257 176.139 1.118 19522 6318 1 10 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.451 1.464 19522 6319 1 10 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.449 -2.895 19522 6320 1 10 . 1 1 106 106 ARG H H 106 8.452 8.452 7.804 0.648 19522 6321 1 10 . 1 1 107 107 ALA N N 107 121.864 121.864 122.198 -0.334 19522 6322 1 10 . 1 1 107 107 ALA C C 107 175.701 175.701 178.324 -2.623 19522 6323 1 10 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.249 0.395 19522 6324 1 10 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.703 0.359 19522 6325 1 10 . 1 1 107 107 ALA H H 107 7.839 7.839 7.749 0.090 19522 6326 1 10 . 1 1 108 108 PHE N N 108 121.984 121.984 120.807 1.177 19522 6327 1 10 . 1 1 108 108 PHE C C 108 174.982 174.982 175.093 -0.111 19522 6328 1 10 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.385 -0.343 19522 6329 1 10 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.420 2.418 19522 6330 1 10 . 1 1 108 108 PHE H H 108 8.392 8.392 8.078 0.314 19522 6331 1 10 . 1 1 109 109 SER N N 109 114.585 114.585 117.246 -2.661 19522 6332 1 10 . 1 1 109 109 SER C C 109 175.421 175.421 174.735 0.686 19522 6333 1 10 . 1 1 109 109 SER CA C 109 55.044 55.044 57.545 -2.501 19522 6334 1 10 . 1 1 109 109 SER CB C 109 63.241 63.241 64.673 -1.432 19522 6335 1 10 . 1 1 109 109 SER H H 109 7.810 7.810 7.712 0.098 19522 6336 1 10 . 1 1 110 110 ASP N N 110 119.725 119.725 121.766 -2.041 19522 6337 1 10 . 1 1 110 110 ASP C C 110 178.196 178.196 178.182 0.014 19522 6338 1 10 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.081 -1.101 19522 6339 1 10 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.512 -2.672 19522 6340 1 10 . 1 1 110 110 ASP H H 110 8.380 8.380 8.590 -0.210 19522 6341 1 10 . 1 1 111 111 LEU N N 111 120.827 120.827 119.829 0.998 19522 6342 1 10 . 1 1 111 111 LEU C C 111 178.804 178.804 178.506 0.298 19522 6343 1 10 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.179 -1.080 19522 6344 1 10 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.844 -1.047 19522 6345 1 10 . 1 1 111 111 LEU H H 111 7.783 7.783 8.162 -0.379 19522 6346 1 10 . 1 1 112 112 THR N N 112 109.101 109.101 112.063 -2.962 19522 6347 1 10 . 1 1 112 112 THR C C 112 177.157 177.157 177.723 -0.566 19522 6348 1 10 . 1 1 112 112 THR CA C 112 64.690 64.690 65.946 -1.256 19522 6349 1 10 . 1 1 112 112 THR CB C 112 67.407 67.407 68.382 -0.975 19522 6350 1 10 . 1 1 112 112 THR H H 112 8.331 8.331 7.949 0.382 19522 6351 1 10 . 1 1 113 113 SER N N 113 115.811 115.811 117.311 -1.500 19522 6352 1 10 . 1 1 113 113 SER C C 113 175.319 175.319 175.839 -0.520 19522 6353 1 10 . 1 1 113 113 SER CA C 113 59.736 59.736 61.056 -1.321 19522 6354 1 10 . 1 1 113 113 SER CB C 113 62.213 62.213 62.931 -0.718 19522 6355 1 10 . 1 1 113 113 SER H H 113 7.645 7.645 7.923 -0.278 19522 6356 1 10 . 1 1 114 114 GLN N N 114 118.421 118.421 121.936 -3.515 19522 6357 1 10 . 1 1 114 114 GLN C C 114 175.978 175.978 177.550 -1.572 19522 6358 1 10 . 1 1 114 114 GLN CA C 114 56.459 56.459 57.798 -1.339 19522 6359 1 10 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.788 -0.777 19522 6360 1 10 . 1 1 114 114 GLN H H 114 7.614 7.614 7.756 -0.142 19522 6361 1 10 . 1 1 115 115 LEU N N 115 118.236 118.236 118.410 -0.174 19522 6362 1 10 . 1 1 115 115 LEU C C 115 176.198 176.198 177.348 -1.150 19522 6363 1 10 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.997 -1.193 19522 6364 1 10 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.740 -0.185 19522 6365 1 10 . 1 1 115 115 LEU H H 115 7.383 7.383 8.332 -0.949 19522 6366 1 10 . 1 1 116 116 HIS N N 116 119.694 119.694 117.037 2.657 19522 6367 1 10 . 1 1 116 116 HIS C C 116 174.122 174.122 174.293 -0.171 19522 6368 1 10 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.871 -0.492 19522 6369 1 10 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.073 -0.822 19522 6370 1 10 . 1 1 116 116 HIS H H 116 8.158 8.158 7.752 0.406 19522 6371 1 10 . 1 1 117 117 ILE N N 117 122.347 122.347 114.878 7.469 19522 6372 1 10 . 1 1 117 117 ILE C C 117 176.377 176.377 175.489 0.888 19522 6373 1 10 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.976 -1.259 19522 6374 1 10 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.802 1.422 19522 6375 1 10 . 1 1 117 117 ILE H H 117 8.658 8.658 8.229 0.429 19522 6376 1 10 . 1 1 118 118 THR N N 118 115.798 115.798 118.424 -2.626 19522 6377 1 10 . 1 1 118 118 THR CA C 118 57.921 57.921 59.926 -2.005 19522 6378 1 10 . 1 1 118 118 THR CB C 118 63.434 63.434 68.698 -5.264 19522 6379 1 10 . 1 1 118 118 THR H H 118 8.227 8.227 8.123 0.104 19522 6380 1 10 . 1 1 120 120 GLY N N 120 109.574 109.574 107.953 1.621 19522 6381 1 10 . 1 1 120 120 GLY C C 120 180.495 180.495 173.681 6.814 19522 6382 1 10 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.627 -1.234 19522 6383 1 10 . 1 1 120 120 GLY H H 120 8.429 8.429 8.066 0.363 19522 6384 1 10 . 1 1 121 121 THR N N 121 113.419 113.419 116.469 -3.050 19522 6385 1 10 . 1 1 121 121 THR C C 121 178.096 178.096 173.754 4.342 19522 6386 1 10 . 1 1 121 121 THR CA C 121 62.041 62.041 62.043 -0.002 19522 6387 1 10 . 1 1 121 121 THR CB C 121 63.994 63.994 66.635 -2.641 19522 6388 1 10 . 1 1 121 121 THR H H 121 7.774 7.774 8.299 -0.525 19522 6389 1 10 . 1 1 122 122 ALA N N 122 121.876 121.876 124.642 -2.766 19522 6390 1 10 . 1 1 122 122 ALA C C 122 177.397 177.397 176.878 0.519 19522 6391 1 10 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.371 -0.747 19522 6392 1 10 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.925 -2.400 19522 6393 1 10 . 1 1 122 122 ALA H H 122 7.944 7.944 8.201 -0.257 19522 6394 1 10 . 1 1 123 123 TYR N N 123 120.931 120.931 115.267 5.664 19522 6395 1 10 . 1 1 123 123 TYR C C 123 176.060 176.060 177.556 -1.496 19522 6396 1 10 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.636 1.419 19522 6397 1 10 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.596 -2.114 19522 6398 1 10 . 1 1 123 123 TYR H H 123 8.748 8.748 7.097 1.651 19522 6399 1 10 . 1 1 124 124 GLN N N 124 115.002 115.002 121.511 -6.509 19522 6400 1 10 . 1 1 124 124 GLN C C 124 178.098 178.098 178.461 -0.363 19522 6401 1 10 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.314 -0.674 19522 6402 1 10 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.524 -2.008 19522 6403 1 10 . 1 1 124 124 GLN H H 124 8.454 8.454 7.620 0.834 19522 6404 1 10 . 1 1 125 125 SER N N 125 114.135 114.135 115.617 -1.482 19522 6405 1 10 . 1 1 125 125 SER C C 125 179.557 179.557 176.172 3.385 19522 6406 1 10 . 1 1 125 125 SER CA C 125 61.357 61.357 61.615 -0.259 19522 6407 1 10 . 1 1 125 125 SER CB C 125 61.357 61.357 62.723 -1.366 19522 6408 1 10 . 1 1 125 125 SER H H 125 7.283 7.283 7.682 -0.399 19522 6409 1 10 . 1 1 126 126 PHE N N 126 113.327 113.327 123.593 -10.266 19522 6410 1 10 . 1 1 126 126 PHE C C 126 174.879 174.879 176.929 -2.050 19522 6411 1 10 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.812 0.305 19522 6412 1 10 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.081 -1.378 19522 6413 1 10 . 1 1 126 126 PHE H H 126 6.606 6.606 7.975 -1.369 19522 6414 1 10 . 1 1 127 127 GLU N N 127 119.398 119.398 118.976 0.422 19522 6415 1 10 . 1 1 127 127 GLU C C 127 176.857 176.857 179.197 -2.340 19522 6416 1 10 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.653 -1.595 19522 6417 1 10 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.179 -0.289 19522 6418 1 10 . 1 1 127 127 GLU H H 127 8.546 8.546 8.232 0.314 19522 6419 1 10 . 1 1 128 128 GLN N N 128 114.754 114.754 119.354 -4.600 19522 6420 1 10 . 1 1 128 128 GLN C C 128 178.356 178.356 178.676 -0.320 19522 6421 1 10 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.498 -0.418 19522 6422 1 10 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.576 -1.581 19522 6423 1 10 . 1 1 128 128 GLN H H 128 7.525 7.525 8.142 -0.617 19522 6424 1 10 . 1 1 129 129 VAL N N 129 118.194 118.194 119.802 -1.608 19522 6425 1 10 . 1 1 129 129 VAL C C 129 177.756 177.756 178.681 -0.925 19522 6426 1 10 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.456 -1.365 19522 6427 1 10 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.407 -1.158 19522 6428 1 10 . 1 1 129 129 VAL H H 129 7.036 7.036 7.944 -0.908 19522 6429 1 10 . 1 1 130 130 VAL N N 130 119.459 119.459 119.738 -0.279 19522 6430 1 10 . 1 1 130 130 VAL C C 130 177.714 177.714 177.718 -0.004 19522 6431 1 10 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.264 -0.856 19522 6432 1 10 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.327 -0.855 19522 6433 1 10 . 1 1 130 130 VAL H H 130 7.831 7.831 8.281 -0.450 19522 6434 1 10 . 1 1 131 131 ASN N N 131 117.212 117.212 117.428 -0.216 19522 6435 1 10 . 1 1 131 131 ASN C C 131 178.775 178.775 177.298 1.477 19522 6436 1 10 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.585 -1.941 19522 6437 1 10 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.547 -2.281 19522 6438 1 10 . 1 1 131 131 ASN H H 131 8.374 8.374 8.170 0.204 19522 6439 1 10 . 1 1 132 132 GLU N N 132 118.393 118.393 119.626 -1.233 19522 6440 1 10 . 1 1 132 132 GLU C C 132 179.097 179.097 178.894 0.203 19522 6441 1 10 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.786 -0.808 19522 6442 1 10 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.335 -1.963 19522 6443 1 10 . 1 1 132 132 GLU H H 132 7.226 7.226 7.613 -0.387 19522 6444 1 10 . 1 1 133 133 LEU N N 133 120.835 120.835 120.060 0.775 19522 6445 1 10 . 1 1 133 133 LEU C C 133 178.016 178.016 177.672 0.344 19522 6446 1 10 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.399 -0.597 19522 6447 1 10 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.696 -1.915 19522 6448 1 10 . 1 1 133 133 LEU H H 133 7.467 7.467 7.422 0.045 19522 6449 1 10 . 1 1 134 134 PHE N N 134 112.847 112.847 117.263 -4.416 19522 6450 1 10 . 1 1 134 134 PHE C C 134 176.258 176.258 177.058 -0.800 19522 6451 1 10 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.178 -3.639 19522 6452 1 10 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.442 -0.579 19522 6453 1 10 . 1 1 134 134 PHE H H 134 6.926 6.926 7.417 -0.491 19522 6454 1 10 . 1 1 135 135 ARG N N 135 123.664 123.664 117.639 6.025 19522 6455 1 10 . 1 1 135 135 ARG C C 135 176.957 176.957 176.405 0.552 19522 6456 1 10 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.688 1.249 19522 6457 1 10 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.363 -2.352 19522 6458 1 10 . 1 1 135 135 ARG H H 135 7.144 7.144 7.507 -0.363 19522 6459 1 10 . 1 1 136 136 ASP N N 136 116.448 116.448 116.079 0.369 19522 6460 1 10 . 1 1 136 136 ASP C C 136 175.339 175.339 176.612 -1.273 19522 6461 1 10 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.190 -0.847 19522 6462 1 10 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.612 -5.014 19522 6463 1 10 . 1 1 136 136 ASP H H 136 8.607 8.607 7.548 1.059 19522 6464 1 10 . 1 1 137 137 GLY N N 137 108.506 108.506 108.630 -0.124 19522 6465 1 10 . 1 1 137 137 GLY C C 137 172.324 172.324 173.926 -1.602 19522 6466 1 10 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.489 -1.694 19522 6467 1 10 . 1 1 137 137 GLY H H 137 7.468 7.468 8.228 -0.760 19522 6468 1 10 . 1 1 138 138 VAL N N 138 120.519 120.519 122.736 -2.217 19522 6469 1 10 . 1 1 138 138 VAL C C 138 174.160 174.160 174.806 -0.646 19522 6470 1 10 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.661 0.232 19522 6471 1 10 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.301 1.507 19522 6472 1 10 . 1 1 138 138 VAL H H 138 8.181 8.181 8.394 -0.213 19522 6473 1 10 . 1 1 139 139 ASN N N 139 115.573 115.573 121.011 -5.438 19522 6474 1 10 . 1 1 139 139 ASN C C 139 174.959 174.959 175.568 -0.609 19522 6475 1 10 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.003 0.022 19522 6476 1 10 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.040 -1.401 19522 6477 1 10 . 1 1 139 139 ASN H H 139 6.261 6.261 7.880 -1.619 19522 6478 1 10 . 1 1 140 140 TRP N N 140 118.231 118.231 126.722 -8.491 19522 6479 1 10 . 1 1 140 140 TRP C C 140 177.976 177.976 177.716 0.260 19522 6480 1 10 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.158 0.977 19522 6481 1 10 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.724 -0.115 19522 6482 1 10 . 1 1 140 140 TRP H H 140 8.413 8.413 8.660 -0.247 19522 6483 1 10 . 1 1 141 141 GLY N N 141 106.238 106.238 105.827 0.411 19522 6484 1 10 . 1 1 141 141 GLY C C 141 177.297 177.297 175.747 1.550 19522 6485 1 10 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.176 0.295 19522 6486 1 10 . 1 1 141 141 GLY H H 141 8.494 8.494 8.928 -0.434 19522 6487 1 10 . 1 1 142 142 ARG N N 142 121.156 121.156 121.835 -0.679 19522 6488 1 10 . 1 1 142 142 ARG C C 142 177.457 177.457 177.858 -0.401 19522 6489 1 10 . 1 1 142 142 ARG CA C 142 57.498 57.498 56.847 0.651 19522 6490 1 10 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.298 -0.689 19522 6491 1 10 . 1 1 142 142 ARG H H 142 8.104 8.104 7.531 0.573 19522 6492 1 10 . 1 1 143 143 ILE N N 143 120.888 120.888 120.709 0.179 19522 6493 1 10 . 1 1 143 143 ILE C C 143 177.756 177.756 177.190 0.566 19522 6494 1 10 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.225 1.663 19522 6495 1 10 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.787 -2.184 19522 6496 1 10 . 1 1 143 143 ILE H H 143 7.696 7.696 7.905 -0.209 19522 6497 1 10 . 1 1 144 144 VAL N N 144 120.958 120.958 118.777 2.181 19522 6498 1 10 . 1 1 144 144 VAL C C 144 177.557 177.557 177.574 -0.017 19522 6499 1 10 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.749 0.339 19522 6500 1 10 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.009 0.080 19522 6501 1 10 . 1 1 144 144 VAL H H 144 8.229 8.229 7.412 0.817 19522 6502 1 10 . 1 1 145 145 ALA N N 145 121.229 121.229 122.715 -1.486 19522 6503 1 10 . 1 1 145 145 ALA C C 145 177.999 177.999 179.052 -1.053 19522 6504 1 10 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.928 -0.866 19522 6505 1 10 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.190 -1.207 19522 6506 1 10 . 1 1 145 145 ALA H H 145 7.579 7.579 7.533 0.046 19522 6507 1 10 . 1 1 146 146 PHE N N 146 119.338 119.338 120.046 -0.708 19522 6508 1 10 . 1 1 146 146 PHE C C 146 179.432 179.432 177.152 2.280 19522 6509 1 10 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.763 -0.594 19522 6510 1 10 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.968 -1.105 19522 6511 1 10 . 1 1 146 146 PHE H H 146 7.985 7.985 8.350 -0.365 19522 6512 1 10 . 1 1 147 147 PHE N N 147 119.900 119.900 117.557 2.343 19522 6513 1 10 . 1 1 147 147 PHE C C 147 177.399 177.399 177.853 -0.454 19522 6514 1 10 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.458 -2.339 19522 6515 1 10 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.037 1.401 19522 6516 1 10 . 1 1 147 147 PHE H H 147 7.824 7.824 8.401 -0.577 19522 6517 1 10 . 1 1 148 148 SER N N 148 114.725 114.725 116.654 -1.929 19522 6518 1 10 . 1 1 148 148 SER C C 148 177.357 177.357 176.223 1.134 19522 6519 1 10 . 1 1 148 148 SER CA C 148 63.115 63.115 62.104 1.011 19522 6520 1 10 . 1 1 148 148 SER CB C 148 61.893 61.893 62.206 -0.313 19522 6521 1 10 . 1 1 148 148 SER H H 148 8.423 8.423 7.984 0.439 19522 6522 1 10 . 1 1 149 149 PHE N N 149 124.361 124.361 121.551 2.810 19522 6523 1 10 . 1 1 149 149 PHE C C 149 176.338 176.338 178.163 -1.825 19522 6524 1 10 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.578 -2.243 19522 6525 1 10 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.568 -1.287 19522 6526 1 10 . 1 1 149 149 PHE H H 149 9.097 9.097 8.263 0.834 19522 6527 1 10 . 1 1 150 150 GLY N N 150 105.935 105.935 105.930 0.005 19522 6528 1 10 . 1 1 150 150 GLY C C 150 176.398 176.398 176.178 0.220 19522 6529 1 10 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.645 0.385 19522 6530 1 10 . 1 1 150 150 GLY H H 150 7.937 7.937 8.035 -0.098 19522 6531 1 10 . 1 1 151 151 GLY N N 151 107.449 107.449 109.955 -2.506 19522 6532 1 10 . 1 1 151 151 GLY C C 151 174.300 174.300 175.529 -1.229 19522 6533 1 10 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.676 0.274 19522 6534 1 10 . 1 1 151 151 GLY H H 151 8.803 8.803 8.424 0.379 19522 6535 1 10 . 1 1 152 152 ALA N N 152 124.384 124.384 123.947 0.437 19522 6536 1 10 . 1 1 152 152 ALA C C 152 177.636 177.636 179.385 -1.749 19522 6537 1 10 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.486 -0.344 19522 6538 1 10 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.475 -1.412 19522 6539 1 10 . 1 1 152 152 ALA H H 152 8.232 8.232 8.017 0.215 19522 6540 1 10 . 1 1 153 153 LEU N N 153 118.871 118.871 120.004 -1.133 19522 6541 1 10 . 1 1 153 153 LEU C C 153 179.937 179.937 178.591 1.346 19522 6542 1 10 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.408 -0.820 19522 6543 1 10 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.706 -1.046 19522 6544 1 10 . 1 1 153 153 LEU H H 153 8.159 8.159 7.681 0.478 19522 6545 1 10 . 1 1 154 154 CYS N N 154 118.554 118.554 118.006 0.548 19522 6546 1 10 . 1 1 154 154 CYS C C 154 177.332 177.332 176.606 0.726 19522 6547 1 10 . 1 1 154 154 CYS CA C 154 60.296 60.296 63.018 -2.722 19522 6548 1 10 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.083 -1.846 19522 6549 1 10 . 1 1 154 154 CYS H H 154 8.049 8.049 8.438 -0.389 19522 6550 1 10 . 1 1 155 155 VAL N N 155 118.474 118.474 121.669 -3.195 19522 6551 1 10 . 1 1 155 155 VAL C C 155 175.723 175.723 178.497 -2.774 19522 6552 1 10 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.715 -0.586 19522 6553 1 10 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.885 -0.157 19522 6554 1 10 . 1 1 155 155 VAL H H 155 8.016 8.016 7.496 0.520 19522 6555 1 10 . 1 1 156 156 GLU N N 156 119.114 119.114 118.560 0.554 19522 6556 1 10 . 1 1 156 156 GLU C C 156 178.036 178.036 179.022 -0.986 19522 6557 1 10 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.303 2.974 19522 6558 1 10 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.914 -1.462 19522 6559 1 10 . 1 1 156 156 GLU H H 156 8.025 8.025 7.918 0.107 19522 6560 1 10 . 1 1 157 157 SER N N 157 113.391 113.391 116.411 -3.020 19522 6561 1 10 . 1 1 157 157 SER C C 157 175.299 175.299 176.267 -0.968 19522 6562 1 10 . 1 1 157 157 SER CA C 157 62.373 62.373 62.339 0.034 19522 6563 1 10 . 1 1 157 157 SER CB C 157 60.854 60.854 63.181 -2.327 19522 6564 1 10 . 1 1 157 157 SER H H 157 7.629 7.629 7.956 -0.327 19522 6565 1 10 . 1 1 158 158 VAL N N 158 120.493 120.493 120.931 -0.438 19522 6566 1 10 . 1 1 158 158 VAL C C 158 173.977 173.977 177.513 -3.536 19522 6567 1 10 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.488 1.241 19522 6568 1 10 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.995 -1.386 19522 6569 1 10 . 1 1 158 158 VAL H H 158 7.374 7.374 7.485 -0.111 19522 6570 1 10 . 1 1 159 159 ASP N N 159 123.215 123.215 121.869 1.346 19522 6571 1 10 . 1 1 159 159 ASP C C 159 177.696 177.696 177.654 0.042 19522 6572 1 10 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.672 -0.053 19522 6573 1 10 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.928 -1.010 19522 6574 1 10 . 1 1 159 159 ASP H H 159 8.309 8.309 8.307 0.002 19522 6575 1 10 . 1 1 160 160 LYS N N 160 115.648 115.648 117.963 -2.315 19522 6576 1 10 . 1 1 160 160 LYS C C 160 174.839 174.839 175.622 -0.783 19522 6577 1 10 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.786 -0.685 19522 6578 1 10 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.992 -2.504 19522 6579 1 10 . 1 1 160 160 LYS H H 160 7.541 7.541 7.484 0.057 19522 6580 1 10 . 1 1 161 161 GLU N N 161 113.911 113.911 117.968 -4.057 19522 6581 1 10 . 1 1 161 161 GLU C C 161 175.781 175.781 176.675 -0.894 19522 6582 1 10 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.148 -1.369 19522 6583 1 10 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.049 -2.995 19522 6584 1 10 . 1 1 161 161 GLU H H 161 7.842 7.842 8.040 -0.198 19522 6585 1 10 . 1 1 162 162 MET N N 162 118.882 118.882 116.549 2.333 19522 6586 1 10 . 1 1 162 162 MET C C 162 176.597 176.597 177.494 -0.897 19522 6587 1 10 . 1 1 162 162 MET CA C 162 52.646 52.646 57.825 -5.179 19522 6588 1 10 . 1 1 162 162 MET CB C 162 30.488 30.488 33.660 -3.172 19522 6589 1 10 . 1 1 162 162 MET H H 162 8.420 8.420 8.361 0.059 19522 6590 1 10 . 1 1 163 163 GLN N N 163 119.366 119.366 117.420 1.946 19522 6591 1 10 . 1 1 163 163 GLN C C 163 177.397 177.397 176.902 0.495 19522 6592 1 10 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.648 0.528 19522 6593 1 10 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.349 -1.256 19522 6594 1 10 . 1 1 163 163 GLN H H 163 8.615 8.615 8.071 0.544 19522 6595 1 10 . 1 1 164 164 VAL N N 164 116.957 116.957 120.584 -3.627 19522 6596 1 10 . 1 1 164 164 VAL C C 164 175.459 175.459 177.561 -2.102 19522 6597 1 10 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.718 -2.866 19522 6598 1 10 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.390 -1.301 19522 6599 1 10 . 1 1 164 164 VAL H H 164 7.938 7.938 8.116 -0.178 19522 6600 1 10 . 1 1 165 165 LEU N N 165 117.124 117.124 119.565 -2.441 19522 6601 1 10 . 1 1 165 165 LEU C C 165 177.714 177.714 178.353 -0.639 19522 6602 1 10 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.041 -2.358 19522 6603 1 10 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.881 -2.203 19522 6604 1 10 . 1 1 165 165 LEU H H 165 7.741 7.741 7.677 0.064 19522 6605 1 10 . 1 1 166 166 VAL N N 166 119.434 119.434 117.920 1.514 19522 6606 1 10 . 1 1 166 166 VAL C C 166 176.817 176.817 178.204 -1.387 19522 6607 1 10 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.418 1.431 19522 6608 1 10 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.171 -1.801 19522 6609 1 10 . 1 1 166 166 VAL H H 166 7.342 7.342 8.099 -0.757 19522 6610 1 10 . 1 1 167 167 SER N N 167 110.775 110.775 116.117 -5.342 19522 6611 1 10 . 1 1 167 167 SER C C 167 176.737 176.737 175.759 0.978 19522 6612 1 10 . 1 1 167 167 SER CA C 167 60.215 60.215 60.975 -0.760 19522 6613 1 10 . 1 1 167 167 SER CB C 167 61.654 61.654 62.484 -0.830 19522 6614 1 10 . 1 1 167 167 SER H H 167 8.099 8.099 8.498 -0.399 19522 6615 1 10 . 1 1 168 168 ARG N N 168 122.916 122.916 120.211 2.705 19522 6616 1 10 . 1 1 168 168 ARG C C 168 175.439 175.439 177.539 -2.100 19522 6617 1 10 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.555 4.060 19522 6618 1 10 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.541 -2.530 19522 6619 1 10 . 1 1 168 168 ARG H H 168 6.596 6.596 7.471 -0.875 19522 6620 1 10 . 1 1 169 169 ILE N N 169 118.335 118.335 121.222 -2.887 19522 6621 1 10 . 1 1 169 169 ILE C C 169 177.779 177.779 177.568 0.211 19522 6622 1 10 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.823 -1.692 19522 6623 1 10 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.794 -0.833 19522 6624 1 10 . 1 1 169 169 ILE H H 169 7.928 7.928 7.956 -0.028 19522 6625 1 10 . 1 1 170 170 ALA N N 170 119.271 119.271 121.319 -2.048 19522 6626 1 10 . 1 1 170 170 ALA C C 170 179.195 179.195 179.288 -0.093 19522 6627 1 10 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.291 -1.389 19522 6628 1 10 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.747 -0.923 19522 6629 1 10 . 1 1 170 170 ALA H H 170 7.672 7.672 7.883 -0.211 19522 6630 1 10 . 1 1 171 171 ALA N N 171 120.393 120.393 121.719 -1.326 19522 6631 1 10 . 1 1 171 171 ALA C C 171 180.833 180.833 179.526 1.307 19522 6632 1 10 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.611 -0.469 19522 6633 1 10 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.667 -1.163 19522 6634 1 10 . 1 1 171 171 ALA H H 171 7.258 7.258 7.802 -0.544 19522 6635 1 10 . 1 1 172 172 TRP N N 172 121.501 121.501 118.730 2.771 19522 6636 1 10 . 1 1 172 172 TRP C C 172 179.350 179.350 178.558 0.792 19522 6637 1 10 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.121 -2.102 19522 6638 1 10 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.725 -1.433 19522 6639 1 10 . 1 1 172 172 TRP H H 172 8.936 8.936 7.570 1.366 19522 6640 1 10 . 1 1 173 173 MET N N 173 117.211 117.211 119.647 -2.436 19522 6641 1 10 . 1 1 173 173 MET C C 173 176.158 176.158 178.288 -2.130 19522 6642 1 10 . 1 1 173 173 MET CA C 173 60.238 60.238 59.374 0.864 19522 6643 1 10 . 1 1 173 173 MET CB C 173 28.833 28.833 32.999 -4.166 19522 6644 1 10 . 1 1 173 173 MET H H 173 8.885 8.885 8.673 0.212 19522 6645 1 10 . 1 1 174 174 ALA N N 174 120.901 120.901 120.610 0.291 19522 6646 1 10 . 1 1 174 174 ALA C C 174 178.875 178.875 179.596 -0.721 19522 6647 1 10 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.457 -0.596 19522 6648 1 10 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.093 -1.406 19522 6649 1 10 . 1 1 174 174 ALA H H 174 8.206 8.206 8.320 -0.114 19522 6650 1 10 . 1 1 175 175 THR N N 175 116.591 116.591 117.072 -0.481 19522 6651 1 10 . 1 1 175 175 THR C C 175 174.782 174.782 176.800 -2.018 19522 6652 1 10 . 1 1 175 175 THR CA C 175 66.209 66.209 66.752 -0.543 19522 6653 1 10 . 1 1 175 175 THR CB C 175 68.046 68.046 68.733 -0.687 19522 6654 1 10 . 1 1 175 175 THR H H 175 8.530 8.530 7.798 0.732 19522 6655 1 10 . 1 1 176 176 TYR N N 176 123.375 123.375 123.063 0.312 19522 6656 1 10 . 1 1 176 176 TYR C C 176 179.255 179.255 177.133 2.122 19522 6657 1 10 . 1 1 176 176 TYR CA C 176 62.373 62.373 59.791 2.582 19522 6658 1 10 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.651 -0.788 19522 6659 1 10 . 1 1 176 176 TYR H H 176 8.822 8.822 8.474 0.348 19522 6660 1 10 . 1 1 177 177 LEU N N 177 119.511 119.511 121.840 -2.329 19522 6661 1 10 . 1 1 177 177 LEU C C 177 177.979 177.979 178.186 -0.207 19522 6662 1 10 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.555 -0.098 19522 6663 1 10 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.898 -0.622 19522 6664 1 10 . 1 1 177 177 LEU H H 177 8.759 8.759 8.601 0.158 19522 6665 1 10 . 1 1 178 178 ASN N N 178 117.233 117.233 116.097 1.136 19522 6666 1 10 . 1 1 178 178 ASN C C 178 176.021 176.021 176.723 -0.702 19522 6667 1 10 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.815 0.028 19522 6668 1 10 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.396 -0.293 19522 6669 1 10 . 1 1 178 178 ASN H H 178 8.333 8.333 7.853 0.480 19522 6670 1 10 . 1 1 179 179 ASP N N 179 115.264 115.264 119.010 -3.746 19522 6671 1 10 . 1 1 179 179 ASP C C 179 177.557 177.557 176.919 0.638 19522 6672 1 10 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.704 -0.804 19522 6673 1 10 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.491 -2.212 19522 6674 1 10 . 1 1 179 179 ASP H H 179 8.451 8.451 7.834 0.617 19522 6675 1 10 . 1 1 180 180 HIS N N 180 111.728 111.728 114.281 -2.553 19522 6676 1 10 . 1 1 180 180 HIS C C 180 175.479 175.479 176.533 -1.054 19522 6677 1 10 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.464 -1.043 19522 6678 1 10 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.171 -2.562 19522 6679 1 10 . 1 1 180 180 HIS H H 180 8.073 8.073 7.667 0.406 19522 6680 1 10 . 1 1 181 181 LEU N N 181 116.833 116.833 122.099 -5.266 19522 6681 1 10 . 1 1 181 181 LEU C C 181 176.160 176.160 178.405 -2.245 19522 6682 1 10 . 1 1 181 181 LEU CA C 181 55.021 55.021 59.125 -4.104 19522 6683 1 10 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.833 -0.077 19522 6684 1 10 . 1 1 181 181 LEU H H 181 7.183 7.183 7.640 -0.457 19522 6685 1 10 . 1 1 182 182 GLU N N 182 121.364 121.364 118.562 2.802 19522 6686 1 10 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.685 -0.671 19522 6687 1 10 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.633 -1.677 19522 6688 1 10 . 1 1 182 182 GLU H H 182 8.596 8.596 8.772 -0.176 19522 6689 1 10 . 1 1 184 184 TRP N N 184 117.804 117.804 120.748 -2.944 19522 6690 1 10 . 1 1 184 184 TRP C C 184 179.217 179.217 178.119 1.098 19522 6691 1 10 . 1 1 184 184 TRP CA C 184 65.672 65.672 60.008 5.664 19522 6692 1 10 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.557 -0.484 19522 6693 1 10 . 1 1 184 184 TRP H H 184 7.070 7.070 8.137 -1.067 19522 6694 1 10 . 1 1 185 185 ILE N N 185 121.825 121.825 119.704 2.121 19522 6695 1 10 . 1 1 185 185 ILE C C 185 178.655 178.655 178.214 0.441 19522 6696 1 10 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.927 0.345 19522 6697 1 10 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.847 -1.902 19522 6698 1 10 . 1 1 185 185 ILE H H 185 8.396 8.396 8.349 0.047 19522 6699 1 10 . 1 1 186 186 GLN N N 186 116.489 116.489 116.437 0.052 19522 6700 1 10 . 1 1 186 186 GLN C C 186 179.035 179.035 177.776 1.259 19522 6701 1 10 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.882 -0.063 19522 6702 1 10 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.498 -1.685 19522 6703 1 10 . 1 1 186 186 GLN H H 186 8.374 8.374 7.768 0.606 19522 6704 1 10 . 1 1 187 187 GLU N N 187 118.764 118.764 119.374 -0.610 19522 6705 1 10 . 1 1 187 187 GLU C C 187 176.458 176.458 177.697 -1.239 19522 6706 1 10 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.511 -0.492 19522 6707 1 10 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.235 -1.824 19522 6708 1 10 . 1 1 187 187 GLU H H 187 7.515 7.515 7.962 -0.447 19522 6709 1 10 . 1 1 188 188 ASN N N 188 116.561 116.561 116.629 -0.068 19522 6710 1 10 . 1 1 188 188 ASN C C 188 173.620 173.620 174.376 -0.756 19522 6711 1 10 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.562 -0.699 19522 6712 1 10 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.288 -2.567 19522 6713 1 10 . 1 1 188 188 ASN H H 188 7.092 7.092 7.813 -0.721 19522 6714 1 10 . 1 1 189 189 GLY N N 189 104.897 104.897 104.627 0.270 19522 6715 1 10 . 1 1 189 189 GLY C C 189 175.658 175.658 172.720 2.938 19522 6716 1 10 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.444 0.348 19522 6717 1 10 . 1 1 189 189 GLY H H 189 7.339 7.339 7.102 0.237 19522 6718 1 10 . 1 1 190 190 GLY N N 190 108.292 108.292 108.184 0.108 19522 6719 1 10 . 1 1 190 190 GLY C C 190 173.021 173.021 174.852 -1.831 19522 6720 1 10 . 1 1 190 190 GLY CA C 190 43.354 43.354 44.804 -1.450 19522 6721 1 10 . 1 1 190 190 GLY H H 190 8.462 8.462 9.177 -0.715 19522 6722 1 10 . 1 1 191 191 TRP N N 191 118.031 118.031 121.613 -3.582 19522 6723 1 10 . 1 1 191 191 TRP C C 191 178.136 178.136 177.240 0.896 19522 6724 1 10 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.188 -0.772 19522 6725 1 10 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.017 -0.367 19522 6726 1 10 . 1 1 191 191 TRP H H 191 8.673 8.673 8.479 0.194 19522 6727 1 10 . 1 1 192 192 ASP N N 192 117.298 117.298 118.715 -1.417 19522 6728 1 10 . 1 1 192 192 ASP C C 192 179.058 179.058 177.783 1.275 19522 6729 1 10 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.385 0.474 19522 6730 1 10 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.515 -0.236 19522 6731 1 10 . 1 1 192 192 ASP H H 192 8.846 8.846 7.976 0.870 19522 6732 1 10 . 1 1 193 193 THR N N 193 116.061 116.061 115.650 0.411 19522 6733 1 10 . 1 1 193 193 THR C C 193 174.979 174.979 175.961 -0.982 19522 6734 1 10 . 1 1 193 193 THR CA C 193 65.649 65.649 64.822 0.827 19522 6735 1 10 . 1 1 193 193 THR CB C 193 67.327 67.327 68.362 -1.035 19522 6736 1 10 . 1 1 193 193 THR H H 193 7.431 7.431 7.335 0.096 19522 6737 1 10 . 1 1 194 194 PHE N N 194 121.789 121.789 122.213 -0.424 19522 6738 1 10 . 1 1 194 194 PHE C C 194 176.418 176.418 177.511 -1.093 19522 6739 1 10 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.994 0.020 19522 6740 1 10 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.128 -2.247 19522 6741 1 10 . 1 1 194 194 PHE H H 194 6.527 6.527 8.136 -1.609 19522 6742 1 10 . 1 1 195 195 VAL N N 195 116.988 116.988 118.896 -1.908 19522 6743 1 10 . 1 1 195 195 VAL C C 195 178.078 178.078 177.814 0.264 19522 6744 1 10 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.257 -0.505 19522 6745 1 10 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.589 -0.101 19522 6746 1 10 . 1 1 195 195 VAL H H 195 7.747 7.747 8.412 -0.665 19522 6747 1 10 . 1 1 196 196 GLU N N 196 120.171 120.171 118.979 1.192 19522 6748 1 10 . 1 1 196 196 GLU C C 196 177.976 177.976 177.631 0.345 19522 6749 1 10 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.214 -0.894 19522 6750 1 10 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.329 -0.656 19522 6751 1 10 . 1 1 196 196 GLU H H 196 7.497 7.497 7.838 -0.341 19522 6752 1 10 . 1 1 197 197 LEU N N 197 117.210 117.210 113.163 4.047 19522 6753 1 10 . 1 1 197 197 LEU C C 197 178.376 178.376 176.338 2.038 19522 6754 1 10 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.940 0.960 19522 6755 1 10 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.955 0.440 19522 6756 1 10 . 1 1 197 197 LEU H H 197 7.626 7.626 7.282 0.344 19522 6757 1 10 . 1 1 198 198 TYR N N 198 115.681 115.681 119.894 -4.213 19522 6758 1 10 . 1 1 198 198 TYR C C 198 176.577 176.577 176.297 0.280 19522 6759 1 10 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.148 -0.771 19522 6760 1 10 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.499 -2.978 19522 6761 1 10 . 1 1 198 198 TYR H H 198 8.081 8.081 7.646 0.435 19522 6762 1 10 . 1 1 199 199 GLY N N 199 108.201 108.201 106.978 1.223 19522 6763 1 10 . 1 1 199 199 GLY C C 199 173.640 173.640 175.044 -1.404 19522 6764 1 10 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.406 -0.853 19522 6765 1 10 . 1 1 199 199 GLY H H 199 8.032 8.032 8.126 -0.094 19522 6766 1 10 . 1 1 200 200 ASN N N 200 118.385 118.385 119.057 -0.672 19522 6767 1 10 . 1 1 200 200 ASN C C 200 175.081 175.081 174.036 1.045 19522 6768 1 10 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.852 -0.068 19522 6769 1 10 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.090 -1.649 19522 6770 1 10 . 1 1 200 200 ASN H H 200 8.300 8.300 8.186 0.114 19522 6771 1 11 . 1 1 5 5 SER N N 5 116.171 116.171 120.858 -4.687 19522 6772 1 11 . 1 1 5 5 SER C C 5 174.320 174.320 174.481 -0.161 19522 6773 1 11 . 1 1 5 5 SER CA C 5 57.898 57.898 58.443 -0.545 19522 6774 1 11 . 1 1 5 5 SER CB C 5 62.533 62.533 63.885 -1.352 19522 6775 1 11 . 1 1 5 5 SER H H 5 8.224 8.224 8.814 -0.590 19522 6776 1 11 . 1 1 6 6 GLN N N 6 122.369 122.369 119.006 3.363 19522 6777 1 11 . 1 1 6 6 GLN C C 6 176.418 176.418 176.084 0.334 19522 6778 1 11 . 1 1 6 6 GLN CA C 6 55.900 55.900 55.979 -0.079 19522 6779 1 11 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.616 1.194 19522 6780 1 11 . 1 1 6 6 GLN H H 6 8.337 8.337 8.531 -0.194 19522 6781 1 11 . 1 1 7 7 SER N N 7 116.584 116.584 115.294 1.290 19522 6782 1 11 . 1 1 7 7 SER C C 7 175.859 175.859 176.191 -0.332 19522 6783 1 11 . 1 1 7 7 SER CA C 7 56.260 56.260 60.868 -4.608 19522 6784 1 11 . 1 1 7 7 SER CB C 7 61.916 61.916 62.877 -0.961 19522 6785 1 11 . 1 1 7 7 SER H H 7 8.221 8.221 8.852 -0.631 19522 6786 1 11 . 1 1 8 8 ASN N N 8 119.373 119.373 120.694 -1.321 19522 6787 1 11 . 1 1 8 8 ASN C C 8 177.259 177.259 177.186 0.073 19522 6788 1 11 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.876 -2.669 19522 6789 1 11 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.299 -1.635 19522 6790 1 11 . 1 1 8 8 ASN H H 8 8.375 8.375 7.892 0.483 19522 6791 1 11 . 1 1 9 9 ARG N N 9 119.039 119.039 121.451 -2.412 19522 6792 1 11 . 1 1 9 9 ARG C C 9 176.977 176.977 178.424 -1.447 19522 6793 1 11 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.310 -1.304 19522 6794 1 11 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.167 1.143 19522 6795 1 11 . 1 1 9 9 ARG H H 9 7.815 7.815 8.729 -0.914 19522 6796 1 11 . 1 1 10 10 GLU N N 10 117.158 117.158 119.647 -2.489 19522 6797 1 11 . 1 1 10 10 GLU C C 10 179.475 179.475 179.207 0.268 19522 6798 1 11 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.255 -3.758 19522 6799 1 11 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.082 -0.090 19522 6800 1 11 . 1 1 10 10 GLU H H 10 7.949 7.949 8.321 -0.372 19522 6801 1 11 . 1 1 11 11 LEU N N 11 119.880 119.880 120.377 -0.497 19522 6802 1 11 . 1 1 11 11 LEU C C 11 178.096 178.096 178.992 -0.896 19522 6803 1 11 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.869 -0.668 19522 6804 1 11 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.411 -1.493 19522 6805 1 11 . 1 1 11 11 LEU H H 11 7.807 7.807 7.540 0.267 19522 6806 1 11 . 1 1 12 12 VAL N N 12 117.702 117.702 119.895 -2.193 19522 6807 1 11 . 1 1 12 12 VAL C C 12 176.377 176.377 178.465 -2.088 19522 6808 1 11 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.225 -0.137 19522 6809 1 11 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.180 -0.212 19522 6810 1 11 . 1 1 12 12 VAL H H 12 7.690 7.690 8.079 -0.389 19522 6811 1 11 . 1 1 13 13 VAL N N 13 116.258 116.258 115.347 0.911 19522 6812 1 11 . 1 1 13 13 VAL C C 13 178.416 178.416 177.222 1.194 19522 6813 1 11 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.859 0.053 19522 6814 1 11 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.606 -2.013 19522 6815 1 11 . 1 1 13 13 VAL H H 13 8.225 8.225 8.012 0.213 19522 6816 1 11 . 1 1 14 14 ASP N N 14 120.362 120.362 122.611 -2.249 19522 6817 1 11 . 1 1 14 14 ASP C C 14 177.040 177.040 177.915 -0.875 19522 6818 1 11 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.863 0.115 19522 6819 1 11 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.113 1.145 19522 6820 1 11 . 1 1 14 14 ASP H H 14 7.967 7.967 7.965 0.002 19522 6821 1 11 . 1 1 15 15 PHE N N 15 119.747 119.747 121.104 -1.357 19522 6822 1 11 . 1 1 15 15 PHE C C 15 177.876 177.876 177.502 0.374 19522 6823 1 11 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.249 1.226 19522 6824 1 11 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.350 -0.768 19522 6825 1 11 . 1 1 15 15 PHE H H 15 8.308 8.308 8.365 -0.057 19522 6826 1 11 . 1 1 16 16 LEU N N 16 116.203 116.203 120.516 -4.313 19522 6827 1 11 . 1 1 16 16 LEU C C 16 175.618 175.618 178.364 -2.746 19522 6828 1 11 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.541 -0.963 19522 6829 1 11 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.773 -1.433 19522 6830 1 11 . 1 1 16 16 LEU H H 16 8.718 8.718 8.215 0.503 19522 6831 1 11 . 1 1 17 17 SER N N 17 113.607 113.607 114.920 -1.313 19522 6832 1 11 . 1 1 17 17 SER C C 17 176.980 176.980 176.419 0.561 19522 6833 1 11 . 1 1 17 17 SER CA C 17 62.150 62.150 62.281 -0.131 19522 6834 1 11 . 1 1 17 17 SER CB C 17 60.854 60.854 62.897 -2.043 19522 6835 1 11 . 1 1 17 17 SER H H 17 8.338 8.338 8.296 0.042 19522 6836 1 11 . 1 1 18 18 TYR N N 18 124.591 124.591 123.124 1.467 19522 6837 1 11 . 1 1 18 18 TYR C C 18 177.996 177.996 177.817 0.179 19522 6838 1 11 . 1 1 18 18 TYR CA C 18 59.279 59.279 61.018 -1.739 19522 6839 1 11 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.319 -1.974 19522 6840 1 11 . 1 1 18 18 TYR H H 18 8.228 8.228 8.132 0.096 19522 6841 1 11 . 1 1 19 19 LYS N N 19 119.761 119.761 119.560 0.201 19522 6842 1 11 . 1 1 19 19 LYS C C 19 179.841 179.841 178.845 0.996 19522 6843 1 11 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.850 -1.767 19522 6844 1 11 . 1 1 19 19 LYS CB C 19 28.650 28.650 31.775 -3.125 19522 6845 1 11 . 1 1 19 19 LYS H H 19 8.230 8.230 7.835 0.395 19522 6846 1 11 . 1 1 20 20 LEU N N 20 118.077 118.077 118.302 -0.225 19522 6847 1 11 . 1 1 20 20 LEU C C 20 179.654 179.654 176.966 2.688 19522 6848 1 11 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.350 1.628 19522 6849 1 11 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.861 -2.423 19522 6850 1 11 . 1 1 20 20 LEU H H 20 8.534 8.534 7.935 0.599 19522 6851 1 11 . 1 1 21 21 SER N N 21 117.073 117.073 112.269 4.804 19522 6852 1 11 . 1 1 21 21 SER C C 21 178.204 178.204 174.384 3.820 19522 6853 1 11 . 1 1 21 21 SER CA C 21 60.375 60.375 58.515 1.860 19522 6854 1 11 . 1 1 21 21 SER CB C 21 61.836 61.836 62.562 -0.726 19522 6855 1 11 . 1 1 21 21 SER H H 21 8.239 8.239 7.192 1.047 19522 6856 1 11 . 1 1 22 22 GLN N N 22 122.767 122.767 121.106 1.661 19522 6857 1 11 . 1 1 22 22 GLN C C 22 176.997 176.997 175.319 1.678 19522 6858 1 11 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.366 0.212 19522 6859 1 11 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.542 -2.410 19522 6860 1 11 . 1 1 22 22 GLN H H 22 7.632 7.632 7.508 0.124 19522 6861 1 11 . 1 1 23 23 LYS N N 23 116.016 116.016 116.389 -0.373 19522 6862 1 11 . 1 1 23 23 LYS C C 23 175.419 175.419 174.651 0.768 19522 6863 1 11 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.318 -3.375 19522 6864 1 11 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.838 -2.790 19522 6865 1 11 . 1 1 23 23 LYS H H 23 7.167 7.167 8.248 -1.081 19522 6866 1 11 . 1 1 24 24 GLY N N 24 105.329 105.329 109.806 -4.477 19522 6867 1 11 . 1 1 24 24 GLY C C 24 173.680 173.680 172.498 1.182 19522 6868 1 11 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.822 -0.509 19522 6869 1 11 . 1 1 24 24 GLY H H 24 7.504 7.504 8.028 -0.524 19522 6870 1 11 . 1 1 25 25 TYR N N 25 119.528 119.528 115.775 3.753 19522 6871 1 11 . 1 1 25 25 TYR C C 25 174.779 174.779 174.695 0.084 19522 6872 1 11 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.106 2.655 19522 6873 1 11 . 1 1 25 25 TYR CB C 25 39.301 39.301 37.727 1.574 19522 6874 1 11 . 1 1 25 25 TYR H H 25 7.817 7.817 7.246 0.571 19522 6875 1 11 . 1 1 26 26 SER N N 26 115.815 115.815 122.410 -6.595 19522 6876 1 11 . 1 1 26 26 SER C C 26 173.860 173.860 175.969 -2.109 19522 6877 1 11 . 1 1 26 26 SER CA C 26 56.083 56.083 59.045 -2.962 19522 6878 1 11 . 1 1 26 26 SER CB C 26 63.275 63.275 63.370 -0.095 19522 6879 1 11 . 1 1 26 26 SER H H 26 8.475 8.475 8.119 0.356 19522 6880 1 11 . 1 1 27 27 TRP N N 27 126.476 126.476 121.142 5.334 19522 6881 1 11 . 1 1 27 27 TRP C C 27 174.141 174.141 177.380 -3.239 19522 6882 1 11 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.400 0.000 19522 6883 1 11 . 1 1 27 27 TRP CB C 27 29.210 29.210 28.882 0.328 19522 6884 1 11 . 1 1 27 27 TRP H H 27 8.720 8.720 7.558 1.162 19522 6885 1 11 . 1 1 28 28 SER N N 28 114.011 114.011 114.570 -0.559 19522 6886 1 11 . 1 1 28 28 SER C C 28 172.859 172.859 175.473 -2.614 19522 6887 1 11 . 1 1 28 28 SER CA C 28 66.186 66.186 60.319 5.867 19522 6888 1 11 . 1 1 28 28 SER CB C 28 61.996 61.996 62.190 -0.194 19522 6889 1 11 . 1 1 28 28 SER H H 28 8.034 8.034 8.009 0.025 19522 6890 1 11 . 1 1 29 29 GLN N N 29 120.138 120.138 120.271 -0.133 19522 6891 1 11 . 1 1 29 29 GLN C C 29 177.250 177.250 176.242 1.008 19522 6892 1 11 . 1 1 29 29 GLN CA C 29 55.170 55.170 58.026 -2.856 19522 6893 1 11 . 1 1 29 29 GLN CB C 29 28.339 28.339 28.957 -0.618 19522 6894 1 11 . 1 1 29 29 GLN H H 29 7.323 7.323 7.752 -0.429 19522 6895 1 11 . 1 1 30 30 PHE N N 30 113.775 113.775 117.669 -3.894 19522 6896 1 11 . 1 1 30 30 PHE C C 30 176.814 176.814 176.671 0.143 19522 6897 1 11 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.657 -2.494 19522 6898 1 11 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.583 -2.743 19522 6899 1 11 . 1 1 30 30 PHE H H 30 6.778 6.778 7.944 -1.166 19522 6900 1 11 . 1 1 87 87 ALA N N 87 124.732 124.732 124.958 -0.226 19522 6901 1 11 . 1 1 87 87 ALA C C 87 175.941 175.941 177.200 -1.259 19522 6902 1 11 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.352 -2.502 19522 6903 1 11 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.393 -1.827 19522 6904 1 11 . 1 1 87 87 ALA H H 87 8.079 8.079 8.743 -0.664 19522 6905 1 11 . 1 1 88 88 ALA N N 88 121.664 121.664 120.005 1.659 19522 6906 1 11 . 1 1 88 88 ALA C C 88 177.523 177.523 178.078 -0.555 19522 6907 1 11 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.610 3.541 19522 6908 1 11 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.426 0.037 19522 6909 1 11 . 1 1 88 88 ALA H H 88 7.951 7.951 7.661 0.290 19522 6910 1 11 . 1 1 89 89 VAL N N 89 119.415 119.415 118.925 0.490 19522 6911 1 11 . 1 1 89 89 VAL C C 89 176.857 176.857 176.663 0.194 19522 6912 1 11 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.056 -4.220 19522 6913 1 11 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.452 -0.381 19522 6914 1 11 . 1 1 89 89 VAL H H 89 8.161 8.161 8.668 -0.507 19522 6915 1 11 . 1 1 90 90 LYS N N 90 121.221 121.221 118.970 2.251 19522 6916 1 11 . 1 1 90 90 LYS C C 90 175.559 175.559 178.444 -2.885 19522 6917 1 11 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.858 -3.775 19522 6918 1 11 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.980 -3.067 19522 6919 1 11 . 1 1 90 90 LYS H H 90 8.529 8.529 8.233 0.296 19522 6920 1 11 . 1 1 91 91 GLN N N 91 115.879 115.879 118.641 -2.762 19522 6921 1 11 . 1 1 91 91 GLN C C 91 176.950 176.950 178.030 -1.080 19522 6922 1 11 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.351 -0.430 19522 6923 1 11 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.139 -0.904 19522 6924 1 11 . 1 1 91 91 GLN H H 91 7.973 7.973 7.515 0.458 19522 6925 1 11 . 1 1 92 92 ALA N N 92 119.538 119.538 123.578 -4.040 19522 6926 1 11 . 1 1 92 92 ALA C C 92 179.537 179.537 179.781 -0.244 19522 6927 1 11 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.434 -1.189 19522 6928 1 11 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.352 -1.585 19522 6929 1 11 . 1 1 92 92 ALA H H 92 7.661 7.661 8.583 -0.922 19522 6930 1 11 . 1 1 93 93 LEU N N 93 120.236 120.236 118.131 2.105 19522 6931 1 11 . 1 1 93 93 LEU C C 93 179.075 179.075 179.383 -0.308 19522 6932 1 11 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.239 0.548 19522 6933 1 11 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.522 0.035 19522 6934 1 11 . 1 1 93 93 LEU H H 93 8.544 8.544 8.323 0.221 19522 6935 1 11 . 1 1 94 94 ARG N N 94 118.361 118.361 120.577 -2.216 19522 6936 1 11 . 1 1 94 94 ARG C C 94 178.396 178.396 178.580 -0.184 19522 6937 1 11 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.598 0.138 19522 6938 1 11 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.743 -1.652 19522 6939 1 11 . 1 1 94 94 ARG H H 94 8.057 8.057 7.733 0.324 19522 6940 1 11 . 1 1 95 95 GLU N N 95 115.851 115.851 119.551 -3.700 19522 6941 1 11 . 1 1 95 95 GLU C C 95 179.794 179.794 179.067 0.727 19522 6942 1 11 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.703 -1.486 19522 6943 1 11 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.395 -1.304 19522 6944 1 11 . 1 1 95 95 GLU H H 95 7.737 7.737 8.320 -0.583 19522 6945 1 11 . 1 1 96 96 ALA N N 96 122.958 122.958 120.939 2.019 19522 6946 1 11 . 1 1 96 96 ALA C C 96 181.313 181.313 180.101 1.212 19522 6947 1 11 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.116 -0.814 19522 6948 1 11 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.364 -0.661 19522 6949 1 11 . 1 1 96 96 ALA H H 96 8.824 8.824 7.974 0.850 19522 6950 1 11 . 1 1 97 97 GLY N N 97 108.363 108.363 107.114 1.249 19522 6951 1 11 . 1 1 97 97 GLY C C 97 178.177 178.177 176.278 1.899 19522 6952 1 11 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.276 -1.285 19522 6953 1 11 . 1 1 97 97 GLY H H 97 9.088 9.088 8.228 0.860 19522 6954 1 11 . 1 1 98 98 ASP N N 98 122.197 122.197 122.009 0.188 19522 6955 1 11 . 1 1 98 98 ASP C C 98 178.715 178.715 178.625 0.090 19522 6956 1 11 . 1 1 98 98 ASP CA C 98 57.019 57.019 58.133 -1.114 19522 6957 1 11 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.295 -2.816 19522 6958 1 11 . 1 1 98 98 ASP H H 98 8.102 8.102 8.408 -0.306 19522 6959 1 11 . 1 1 99 99 GLU N N 99 120.103 120.103 119.420 0.683 19522 6960 1 11 . 1 1 99 99 GLU C C 99 179.513 179.513 179.121 0.392 19522 6961 1 11 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.434 -5.681 19522 6962 1 11 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.614 -1.123 19522 6963 1 11 . 1 1 99 99 GLU H H 99 8.115 8.115 8.096 0.019 19522 6964 1 11 . 1 1 100 100 PHE N N 100 120.218 120.218 118.200 2.018 19522 6965 1 11 . 1 1 100 100 PHE C C 100 178.618 178.618 177.796 0.822 19522 6966 1 11 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.102 -3.642 19522 6967 1 11 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.553 0.783 19522 6968 1 11 . 1 1 100 100 PHE H H 100 8.535 8.535 8.071 0.464 19522 6969 1 11 . 1 1 101 101 GLU N N 101 117.531 117.531 121.471 -3.940 19522 6970 1 11 . 1 1 101 101 GLU C C 101 177.339 177.339 179.076 -1.737 19522 6971 1 11 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.200 -2.599 19522 6972 1 11 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.796 -1.203 19522 6973 1 11 . 1 1 101 101 GLU H H 101 8.032 8.032 8.385 -0.353 19522 6974 1 11 . 1 1 102 102 LEU N N 102 116.641 116.641 115.958 0.683 19522 6975 1 11 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.957 -1.369 19522 6976 1 11 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.585 -0.812 19522 6977 1 11 . 1 1 102 102 LEU H H 102 7.369 7.369 7.862 -0.493 19522 6978 1 11 . 1 1 103 103 ARG N N 103 115.854 115.854 118.705 -2.851 19522 6979 1 11 . 1 1 103 103 ARG C C 103 177.605 177.605 178.118 -0.513 19522 6980 1 11 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.442 0.545 19522 6981 1 11 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.205 -0.055 19522 6982 1 11 . 1 1 103 103 ARG H H 103 7.472 7.472 7.646 -0.174 19522 6983 1 11 . 1 1 104 104 TYR N N 104 119.078 119.078 119.558 -0.480 19522 6984 1 11 . 1 1 104 104 TYR C C 104 174.962 174.962 177.466 -2.504 19522 6985 1 11 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.291 -0.450 19522 6986 1 11 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.820 -2.192 19522 6987 1 11 . 1 1 104 104 TYR H H 104 7.904 7.904 8.092 -0.188 19522 6988 1 11 . 1 1 105 105 ARG N N 105 119.378 119.378 118.502 0.876 19522 6989 1 11 . 1 1 105 105 ARG C C 105 178.395 178.395 177.062 1.333 19522 6990 1 11 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.909 1.012 19522 6991 1 11 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.249 -1.455 19522 6992 1 11 . 1 1 105 105 ARG H H 105 7.195 7.195 8.521 -1.326 19522 6993 1 11 . 1 1 106 106 ARG N N 106 118.875 118.875 119.729 -0.854 19522 6994 1 11 . 1 1 106 106 ARG C C 106 177.257 177.257 175.928 1.329 19522 6995 1 11 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.362 1.553 19522 6996 1 11 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.270 -2.716 19522 6997 1 11 . 1 1 106 106 ARG H H 106 8.452 8.452 7.860 0.592 19522 6998 1 11 . 1 1 107 107 ALA N N 107 121.864 121.864 122.320 -0.456 19522 6999 1 11 . 1 1 107 107 ALA C C 107 175.701 175.701 177.973 -2.272 19522 7000 1 11 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.209 0.435 19522 7001 1 11 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.686 0.378 19522 7002 1 11 . 1 1 107 107 ALA H H 107 7.839 7.839 7.738 0.101 19522 7003 1 11 . 1 1 108 108 PHE N N 108 121.984 121.984 121.347 0.637 19522 7004 1 11 . 1 1 108 108 PHE C C 108 174.982 174.982 174.790 0.192 19522 7005 1 11 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.720 0.322 19522 7006 1 11 . 1 1 108 108 PHE CB C 108 39.838 39.838 36.831 3.007 19522 7007 1 11 . 1 1 108 108 PHE H H 108 8.392 8.392 7.886 0.506 19522 7008 1 11 . 1 1 109 109 SER N N 109 114.585 114.585 116.027 -1.442 19522 7009 1 11 . 1 1 109 109 SER C C 109 175.421 175.421 175.192 0.229 19522 7010 1 11 . 1 1 109 109 SER CA C 109 55.044 55.044 56.736 -1.692 19522 7011 1 11 . 1 1 109 109 SER CB C 109 63.241 63.241 65.709 -2.468 19522 7012 1 11 . 1 1 109 109 SER H H 109 7.810 7.810 7.846 -0.036 19522 7013 1 11 . 1 1 110 110 ASP N N 110 119.725 119.725 123.080 -3.355 19522 7014 1 11 . 1 1 110 110 ASP C C 110 178.196 178.196 178.501 -0.305 19522 7015 1 11 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.598 -1.618 19522 7016 1 11 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.403 -2.563 19522 7017 1 11 . 1 1 110 110 ASP H H 110 8.380 8.380 8.565 -0.185 19522 7018 1 11 . 1 1 111 111 LEU N N 111 120.827 120.827 119.930 0.897 19522 7019 1 11 . 1 1 111 111 LEU C C 111 178.804 178.804 178.517 0.287 19522 7020 1 11 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.285 -1.186 19522 7021 1 11 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.849 -1.052 19522 7022 1 11 . 1 1 111 111 LEU H H 111 7.783 7.783 8.309 -0.526 19522 7023 1 11 . 1 1 112 112 THR N N 112 109.101 109.101 111.410 -2.309 19522 7024 1 11 . 1 1 112 112 THR C C 112 177.157 177.157 177.507 -0.350 19522 7025 1 11 . 1 1 112 112 THR CA C 112 64.690 64.690 66.114 -1.424 19522 7026 1 11 . 1 1 112 112 THR CB C 112 67.407 67.407 68.532 -1.125 19522 7027 1 11 . 1 1 112 112 THR H H 112 8.331 8.331 8.045 0.286 19522 7028 1 11 . 1 1 113 113 SER N N 113 115.811 115.811 117.597 -1.786 19522 7029 1 11 . 1 1 113 113 SER C C 113 175.319 175.319 176.203 -0.884 19522 7030 1 11 . 1 1 113 113 SER CA C 113 59.736 59.736 60.873 -1.137 19522 7031 1 11 . 1 1 113 113 SER CB C 113 62.213 62.213 63.040 -0.827 19522 7032 1 11 . 1 1 113 113 SER H H 113 7.645 7.645 7.898 -0.253 19522 7033 1 11 . 1 1 114 114 GLN N N 114 118.421 118.421 122.532 -4.111 19522 7034 1 11 . 1 1 114 114 GLN C C 114 175.978 175.978 177.471 -1.493 19522 7035 1 11 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.315 -1.856 19522 7036 1 11 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.698 -0.687 19522 7037 1 11 . 1 1 114 114 GLN H H 114 7.614 7.614 8.125 -0.511 19522 7038 1 11 . 1 1 115 115 LEU N N 115 118.236 118.236 117.488 0.748 19522 7039 1 11 . 1 1 115 115 LEU C C 115 176.198 176.198 177.241 -1.043 19522 7040 1 11 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.563 -0.759 19522 7041 1 11 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.992 -0.437 19522 7042 1 11 . 1 1 115 115 LEU H H 115 7.383 7.383 8.167 -0.784 19522 7043 1 11 . 1 1 116 116 HIS N N 116 119.694 119.694 117.628 2.066 19522 7044 1 11 . 1 1 116 116 HIS C C 116 174.122 174.122 174.329 -0.207 19522 7045 1 11 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.120 -0.741 19522 7046 1 11 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.121 -0.870 19522 7047 1 11 . 1 1 116 116 HIS H H 116 8.158 8.158 7.953 0.205 19522 7048 1 11 . 1 1 117 117 ILE N N 117 122.347 122.347 114.979 7.368 19522 7049 1 11 . 1 1 117 117 ILE C C 117 176.377 176.377 175.479 0.898 19522 7050 1 11 . 1 1 117 117 ILE CA C 117 60.717 60.717 62.012 -1.295 19522 7051 1 11 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.821 1.403 19522 7052 1 11 . 1 1 117 117 ILE H H 117 8.658 8.658 8.243 0.415 19522 7053 1 11 . 1 1 118 118 THR N N 118 115.798 115.798 118.436 -2.638 19522 7054 1 11 . 1 1 118 118 THR CA C 118 57.921 57.921 59.763 -1.842 19522 7055 1 11 . 1 1 118 118 THR CB C 118 63.434 63.434 68.713 -5.279 19522 7056 1 11 . 1 1 118 118 THR H H 118 8.227 8.227 8.146 0.081 19522 7057 1 11 . 1 1 120 120 GLY N N 120 109.574 109.574 107.876 1.698 19522 7058 1 11 . 1 1 120 120 GLY C C 120 180.495 180.495 173.603 6.892 19522 7059 1 11 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.599 -1.206 19522 7060 1 11 . 1 1 120 120 GLY H H 120 8.429 8.429 7.866 0.563 19522 7061 1 11 . 1 1 121 121 THR N N 121 113.419 113.419 116.351 -2.932 19522 7062 1 11 . 1 1 121 121 THR C C 121 178.096 178.096 173.761 4.335 19522 7063 1 11 . 1 1 121 121 THR CA C 121 62.041 62.041 62.109 -0.068 19522 7064 1 11 . 1 1 121 121 THR CB C 121 63.994 63.994 66.598 -2.604 19522 7065 1 11 . 1 1 121 121 THR H H 121 7.774 7.774 8.121 -0.347 19522 7066 1 11 . 1 1 122 122 ALA N N 122 121.876 121.876 125.048 -3.172 19522 7067 1 11 . 1 1 122 122 ALA C C 122 177.397 177.397 176.941 0.456 19522 7068 1 11 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.737 -1.113 19522 7069 1 11 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.978 -2.453 19522 7070 1 11 . 1 1 122 122 ALA H H 122 7.944 7.944 8.393 -0.449 19522 7071 1 11 . 1 1 123 123 TYR N N 123 120.931 120.931 115.904 5.027 19522 7072 1 11 . 1 1 123 123 TYR C C 123 176.060 176.060 177.242 -1.182 19522 7073 1 11 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.674 1.381 19522 7074 1 11 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.711 -2.229 19522 7075 1 11 . 1 1 123 123 TYR H H 123 8.748 8.748 7.707 1.041 19522 7076 1 11 . 1 1 124 124 GLN N N 124 115.002 115.002 121.125 -6.123 19522 7077 1 11 . 1 1 124 124 GLN C C 124 178.098 178.098 178.381 -0.283 19522 7078 1 11 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.923 -0.283 19522 7079 1 11 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.469 -1.953 19522 7080 1 11 . 1 1 124 124 GLN H H 124 8.454 8.454 7.605 0.849 19522 7081 1 11 . 1 1 125 125 SER N N 125 114.135 114.135 115.527 -1.392 19522 7082 1 11 . 1 1 125 125 SER C C 125 179.557 179.557 176.199 3.358 19522 7083 1 11 . 1 1 125 125 SER CA C 125 61.357 61.357 61.386 -0.029 19522 7084 1 11 . 1 1 125 125 SER CB C 125 61.357 61.357 62.712 -1.355 19522 7085 1 11 . 1 1 125 125 SER H H 125 7.283 7.283 7.649 -0.366 19522 7086 1 11 . 1 1 126 126 PHE N N 126 113.327 113.327 123.564 -10.237 19522 7087 1 11 . 1 1 126 126 PHE C C 126 174.879 174.879 176.847 -1.968 19522 7088 1 11 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.960 0.157 19522 7089 1 11 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.128 -1.425 19522 7090 1 11 . 1 1 126 126 PHE H H 126 6.606 6.606 7.922 -1.316 19522 7091 1 11 . 1 1 127 127 GLU N N 127 119.398 119.398 118.743 0.655 19522 7092 1 11 . 1 1 127 127 GLU C C 127 176.857 176.857 179.256 -2.399 19522 7093 1 11 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.684 -1.626 19522 7094 1 11 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.084 -0.194 19522 7095 1 11 . 1 1 127 127 GLU H H 127 8.546 8.546 7.928 0.618 19522 7096 1 11 . 1 1 128 128 GLN N N 128 114.754 114.754 119.458 -4.704 19522 7097 1 11 . 1 1 128 128 GLN C C 128 178.356 178.356 178.556 -0.200 19522 7098 1 11 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.626 -0.546 19522 7099 1 11 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.520 -1.525 19522 7100 1 11 . 1 1 128 128 GLN H H 128 7.525 7.525 8.073 -0.548 19522 7101 1 11 . 1 1 129 129 VAL N N 129 118.194 118.194 119.044 -0.850 19522 7102 1 11 . 1 1 129 129 VAL C C 129 177.756 177.756 178.176 -0.420 19522 7103 1 11 . 1 1 129 129 VAL CA C 129 65.090 65.090 65.991 -0.901 19522 7104 1 11 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.483 -1.234 19522 7105 1 11 . 1 1 129 129 VAL H H 129 7.036 7.036 7.591 -0.555 19522 7106 1 11 . 1 1 130 130 VAL N N 130 119.459 119.459 119.613 -0.154 19522 7107 1 11 . 1 1 130 130 VAL C C 130 177.714 177.714 177.713 0.001 19522 7108 1 11 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.336 -0.927 19522 7109 1 11 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.515 -1.043 19522 7110 1 11 . 1 1 130 130 VAL H H 130 7.831 7.831 8.506 -0.675 19522 7111 1 11 . 1 1 131 131 ASN N N 131 117.212 117.212 116.952 0.260 19522 7112 1 11 . 1 1 131 131 ASN C C 131 178.775 178.775 177.218 1.557 19522 7113 1 11 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.401 -1.758 19522 7114 1 11 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.664 -2.400 19522 7115 1 11 . 1 1 131 131 ASN H H 131 8.374 8.374 8.351 0.023 19522 7116 1 11 . 1 1 132 132 GLU N N 132 118.393 118.393 119.785 -1.392 19522 7117 1 11 . 1 1 132 132 GLU C C 132 179.097 179.097 179.285 -0.188 19522 7118 1 11 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.953 -0.975 19522 7119 1 11 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.297 -1.925 19522 7120 1 11 . 1 1 132 132 GLU H H 132 7.226 7.226 7.627 -0.401 19522 7121 1 11 . 1 1 133 133 LEU N N 133 120.835 120.835 120.947 -0.112 19522 7122 1 11 . 1 1 133 133 LEU C C 133 178.016 178.016 177.809 0.207 19522 7123 1 11 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.459 -0.657 19522 7124 1 11 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.480 -1.698 19522 7125 1 11 . 1 1 133 133 LEU H H 133 7.467 7.467 7.467 -0.000 19522 7126 1 11 . 1 1 134 134 PHE N N 134 112.847 112.847 116.839 -3.992 19522 7127 1 11 . 1 1 134 134 PHE C C 134 176.258 176.258 177.015 -0.757 19522 7128 1 11 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.688 -3.149 19522 7129 1 11 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.136 -0.273 19522 7130 1 11 . 1 1 134 134 PHE H H 134 6.926 6.926 7.390 -0.464 19522 7131 1 11 . 1 1 135 135 ARG N N 135 123.664 123.664 118.207 5.457 19522 7132 1 11 . 1 1 135 135 ARG C C 135 176.957 176.957 176.926 0.031 19522 7133 1 11 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.200 0.737 19522 7134 1 11 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.699 -2.688 19522 7135 1 11 . 1 1 135 135 ARG H H 135 7.144 7.144 7.587 -0.443 19522 7136 1 11 . 1 1 136 136 ASP N N 136 116.448 116.448 115.954 0.494 19522 7137 1 11 . 1 1 136 136 ASP C C 136 175.339 175.339 176.885 -1.546 19522 7138 1 11 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.469 -1.126 19522 7139 1 11 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.688 -5.090 19522 7140 1 11 . 1 1 136 136 ASP H H 136 8.607 8.607 7.569 1.038 19522 7141 1 11 . 1 1 137 137 GLY N N 137 108.506 108.506 109.327 -0.821 19522 7142 1 11 . 1 1 137 137 GLY C C 137 172.324 172.324 174.117 -1.793 19522 7143 1 11 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.986 -2.192 19522 7144 1 11 . 1 1 137 137 GLY H H 137 7.468 7.468 8.345 -0.877 19522 7145 1 11 . 1 1 138 138 VAL N N 138 120.519 120.519 124.245 -3.726 19522 7146 1 11 . 1 1 138 138 VAL C C 138 174.160 174.160 174.894 -0.734 19522 7147 1 11 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.797 0.096 19522 7148 1 11 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.562 1.246 19522 7149 1 11 . 1 1 138 138 VAL H H 138 8.181 8.181 8.448 -0.267 19522 7150 1 11 . 1 1 139 139 ASN N N 139 115.573 115.573 122.684 -7.111 19522 7151 1 11 . 1 1 139 139 ASN C C 139 174.959 174.959 175.490 -0.531 19522 7152 1 11 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.844 -0.819 19522 7153 1 11 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.678 -2.039 19522 7154 1 11 . 1 1 139 139 ASN H H 139 6.261 6.261 7.639 -1.378 19522 7155 1 11 . 1 1 140 140 TRP N N 140 118.231 118.231 126.377 -8.146 19522 7156 1 11 . 1 1 140 140 TRP C C 140 177.976 177.976 177.082 0.894 19522 7157 1 11 . 1 1 140 140 TRP CA C 140 60.135 60.135 58.775 1.360 19522 7158 1 11 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.162 -0.553 19522 7159 1 11 . 1 1 140 140 TRP H H 140 8.413 8.413 9.448 -1.035 19522 7160 1 11 . 1 1 141 141 GLY N N 141 106.238 106.238 106.407 -0.169 19522 7161 1 11 . 1 1 141 141 GLY C C 141 177.297 177.297 175.036 2.261 19522 7162 1 11 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.851 0.620 19522 7163 1 11 . 1 1 141 141 GLY H H 141 8.494 8.494 9.275 -0.781 19522 7164 1 11 . 1 1 142 142 ARG N N 142 121.156 121.156 122.739 -1.583 19522 7165 1 11 . 1 1 142 142 ARG C C 142 177.457 177.457 178.148 -0.691 19522 7166 1 11 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.990 -0.492 19522 7167 1 11 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.162 -0.553 19522 7168 1 11 . 1 1 142 142 ARG H H 142 8.104 8.104 7.929 0.175 19522 7169 1 11 . 1 1 143 143 ILE N N 143 120.888 120.888 119.328 1.560 19522 7170 1 11 . 1 1 143 143 ILE C C 143 177.756 177.756 177.095 0.661 19522 7171 1 11 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.176 1.713 19522 7172 1 11 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.915 -2.312 19522 7173 1 11 . 1 1 143 143 ILE H H 143 7.696 7.696 7.780 -0.084 19522 7174 1 11 . 1 1 144 144 VAL N N 144 120.958 120.958 119.435 1.523 19522 7175 1 11 . 1 1 144 144 VAL C C 144 177.557 177.557 177.577 -0.020 19522 7176 1 11 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.274 0.814 19522 7177 1 11 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.238 -0.149 19522 7178 1 11 . 1 1 144 144 VAL H H 144 8.229 8.229 7.307 0.922 19522 7179 1 11 . 1 1 145 145 ALA N N 145 121.229 121.229 122.766 -1.537 19522 7180 1 11 . 1 1 145 145 ALA C C 145 177.999 177.999 178.984 -0.985 19522 7181 1 11 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.001 -0.939 19522 7182 1 11 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.194 -1.211 19522 7183 1 11 . 1 1 145 145 ALA H H 145 7.579 7.579 7.467 0.112 19522 7184 1 11 . 1 1 146 146 PHE N N 146 119.338 119.338 120.062 -0.724 19522 7185 1 11 . 1 1 146 146 PHE C C 146 179.432 179.432 177.204 2.228 19522 7186 1 11 . 1 1 146 146 PHE CA C 146 61.169 61.169 62.065 -0.896 19522 7187 1 11 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.139 -1.276 19522 7188 1 11 . 1 1 146 146 PHE H H 146 7.985 7.985 8.295 -0.310 19522 7189 1 11 . 1 1 147 147 PHE N N 147 119.900 119.900 117.607 2.293 19522 7190 1 11 . 1 1 147 147 PHE C C 147 177.399 177.399 177.611 -0.212 19522 7191 1 11 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.393 -3.274 19522 7192 1 11 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.504 0.934 19522 7193 1 11 . 1 1 147 147 PHE H H 147 7.824 7.824 8.557 -0.733 19522 7194 1 11 . 1 1 148 148 SER N N 148 114.725 114.725 116.470 -1.745 19522 7195 1 11 . 1 1 148 148 SER C C 148 177.357 177.357 176.160 1.197 19522 7196 1 11 . 1 1 148 148 SER CA C 148 63.115 63.115 62.179 0.936 19522 7197 1 11 . 1 1 148 148 SER CB C 148 61.893 61.893 62.296 -0.403 19522 7198 1 11 . 1 1 148 148 SER H H 148 8.423 8.423 7.899 0.524 19522 7199 1 11 . 1 1 149 149 PHE N N 149 124.361 124.361 121.392 2.969 19522 7200 1 11 . 1 1 149 149 PHE C C 149 176.338 176.338 178.025 -1.687 19522 7201 1 11 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.663 -2.327 19522 7202 1 11 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.431 -1.151 19522 7203 1 11 . 1 1 149 149 PHE H H 149 9.097 9.097 8.237 0.860 19522 7204 1 11 . 1 1 150 150 GLY N N 150 105.935 105.935 105.968 -0.033 19522 7205 1 11 . 1 1 150 150 GLY C C 150 176.398 176.398 176.152 0.246 19522 7206 1 11 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.699 0.331 19522 7207 1 11 . 1 1 150 150 GLY H H 150 7.937 7.937 7.901 0.036 19522 7208 1 11 . 1 1 151 151 GLY N N 151 107.449 107.449 110.160 -2.711 19522 7209 1 11 . 1 1 151 151 GLY C C 151 174.300 174.300 176.004 -1.704 19522 7210 1 11 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.700 0.249 19522 7211 1 11 . 1 1 151 151 GLY H H 151 8.803 8.803 8.378 0.425 19522 7212 1 11 . 1 1 152 152 ALA N N 152 124.384 124.384 125.158 -0.774 19522 7213 1 11 . 1 1 152 152 ALA C C 152 177.636 177.636 179.271 -1.635 19522 7214 1 11 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.723 -0.581 19522 7215 1 11 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.362 -1.299 19522 7216 1 11 . 1 1 152 152 ALA H H 152 8.232 8.232 8.199 0.033 19522 7217 1 11 . 1 1 153 153 LEU N N 153 118.871 118.871 120.028 -1.157 19522 7218 1 11 . 1 1 153 153 LEU C C 153 179.937 179.937 178.675 1.262 19522 7219 1 11 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.709 -1.121 19522 7220 1 11 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.690 -1.030 19522 7221 1 11 . 1 1 153 153 LEU H H 153 8.159 8.159 7.955 0.204 19522 7222 1 11 . 1 1 154 154 CYS N N 154 118.554 118.554 118.689 -0.135 19522 7223 1 11 . 1 1 154 154 CYS C C 154 177.332 177.332 176.952 0.380 19522 7224 1 11 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.654 -2.358 19522 7225 1 11 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.035 -0.798 19522 7226 1 11 . 1 1 154 154 CYS H H 154 8.049 8.049 8.511 -0.462 19522 7227 1 11 . 1 1 155 155 VAL N N 155 118.474 118.474 122.216 -3.742 19522 7228 1 11 . 1 1 155 155 VAL C C 155 175.723 175.723 178.436 -2.713 19522 7229 1 11 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.113 -0.984 19522 7230 1 11 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.831 -0.103 19522 7231 1 11 . 1 1 155 155 VAL H H 155 8.016 8.016 7.507 0.509 19522 7232 1 11 . 1 1 156 156 GLU N N 156 119.114 119.114 118.393 0.721 19522 7233 1 11 . 1 1 156 156 GLU C C 156 178.036 178.036 179.016 -0.980 19522 7234 1 11 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.163 3.115 19522 7235 1 11 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.948 -1.496 19522 7236 1 11 . 1 1 156 156 GLU H H 156 8.025 8.025 7.936 0.089 19522 7237 1 11 . 1 1 157 157 SER N N 157 113.391 113.391 116.350 -2.959 19522 7238 1 11 . 1 1 157 157 SER C C 157 175.299 175.299 176.203 -0.904 19522 7239 1 11 . 1 1 157 157 SER CA C 157 62.373 62.373 62.236 0.137 19522 7240 1 11 . 1 1 157 157 SER CB C 157 60.854 60.854 63.294 -2.440 19522 7241 1 11 . 1 1 157 157 SER H H 157 7.629 7.629 7.838 -0.209 19522 7242 1 11 . 1 1 158 158 VAL N N 158 120.493 120.493 121.290 -0.797 19522 7243 1 11 . 1 1 158 158 VAL C C 158 173.977 173.977 177.347 -3.370 19522 7244 1 11 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.437 1.292 19522 7245 1 11 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.985 -1.375 19522 7246 1 11 . 1 1 158 158 VAL H H 158 7.374 7.374 7.571 -0.197 19522 7247 1 11 . 1 1 159 159 ASP N N 159 123.215 123.215 121.620 1.595 19522 7248 1 11 . 1 1 159 159 ASP C C 159 177.696 177.696 177.530 0.166 19522 7249 1 11 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.579 0.040 19522 7250 1 11 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.945 -1.027 19522 7251 1 11 . 1 1 159 159 ASP H H 159 8.309 8.309 8.301 0.008 19522 7252 1 11 . 1 1 160 160 LYS N N 160 115.648 115.648 118.132 -2.484 19522 7253 1 11 . 1 1 160 160 LYS C C 160 174.839 174.839 175.511 -0.672 19522 7254 1 11 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.759 -0.658 19522 7255 1 11 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.966 -2.478 19522 7256 1 11 . 1 1 160 160 LYS H H 160 7.541 7.541 7.452 0.089 19522 7257 1 11 . 1 1 161 161 GLU N N 161 113.911 113.911 117.351 -3.440 19522 7258 1 11 . 1 1 161 161 GLU C C 161 175.781 175.781 176.753 -0.972 19522 7259 1 11 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.262 -1.483 19522 7260 1 11 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.872 -2.818 19522 7261 1 11 . 1 1 161 161 GLU H H 161 7.842 7.842 8.068 -0.226 19522 7262 1 11 . 1 1 162 162 MET N N 162 118.882 118.882 116.370 2.512 19522 7263 1 11 . 1 1 162 162 MET C C 162 176.597 176.597 177.427 -0.830 19522 7264 1 11 . 1 1 162 162 MET CA C 162 52.646 52.646 57.799 -5.153 19522 7265 1 11 . 1 1 162 162 MET CB C 162 30.488 30.488 33.711 -3.223 19522 7266 1 11 . 1 1 162 162 MET H H 162 8.420 8.420 8.405 0.015 19522 7267 1 11 . 1 1 163 163 GLN N N 163 119.366 119.366 117.174 2.192 19522 7268 1 11 . 1 1 163 163 GLN C C 163 177.397 177.397 176.806 0.591 19522 7269 1 11 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.334 0.842 19522 7270 1 11 . 1 1 163 163 GLN CB C 163 26.093 26.093 26.998 -0.905 19522 7271 1 11 . 1 1 163 163 GLN H H 163 8.615 8.615 8.091 0.523 19522 7272 1 11 . 1 1 164 164 VAL N N 164 116.957 116.957 120.392 -3.435 19522 7273 1 11 . 1 1 164 164 VAL C C 164 175.459 175.459 177.498 -2.039 19522 7274 1 11 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.827 -2.975 19522 7275 1 11 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.361 -1.272 19522 7276 1 11 . 1 1 164 164 VAL H H 164 7.938 7.938 7.992 -0.054 19522 7277 1 11 . 1 1 165 165 LEU N N 165 117.124 117.124 119.381 -2.257 19522 7278 1 11 . 1 1 165 165 LEU C C 165 177.714 177.714 178.254 -0.540 19522 7279 1 11 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.073 -2.390 19522 7280 1 11 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.900 -2.222 19522 7281 1 11 . 1 1 165 165 LEU H H 165 7.741 7.741 7.714 0.027 19522 7282 1 11 . 1 1 166 166 VAL N N 166 119.434 119.434 118.189 1.245 19522 7283 1 11 . 1 1 166 166 VAL C C 166 176.817 176.817 177.984 -1.167 19522 7284 1 11 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.511 1.337 19522 7285 1 11 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.087 -1.717 19522 7286 1 11 . 1 1 166 166 VAL H H 166 7.342 7.342 7.838 -0.496 19522 7287 1 11 . 1 1 167 167 SER N N 167 110.775 110.775 115.862 -5.087 19522 7288 1 11 . 1 1 167 167 SER C C 167 176.737 176.737 176.859 -0.122 19522 7289 1 11 . 1 1 167 167 SER CA C 167 60.215 60.215 62.166 -1.951 19522 7290 1 11 . 1 1 167 167 SER CB C 167 61.654 61.654 62.472 -0.818 19522 7291 1 11 . 1 1 167 167 SER H H 167 8.099 8.099 8.653 -0.554 19522 7292 1 11 . 1 1 168 168 ARG N N 168 122.916 122.916 120.799 2.117 19522 7293 1 11 . 1 1 168 168 ARG C C 168 175.439 175.439 177.892 -2.453 19522 7294 1 11 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.329 3.286 19522 7295 1 11 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.758 -1.747 19522 7296 1 11 . 1 1 168 168 ARG H H 168 6.596 6.596 7.556 -0.960 19522 7297 1 11 . 1 1 169 169 ILE N N 169 118.335 118.335 120.533 -2.198 19522 7298 1 11 . 1 1 169 169 ILE C C 169 177.779 177.779 177.701 0.078 19522 7299 1 11 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.391 -1.260 19522 7300 1 11 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.636 -0.675 19522 7301 1 11 . 1 1 169 169 ILE H H 169 7.928 7.928 7.603 0.325 19522 7302 1 11 . 1 1 170 170 ALA N N 170 119.271 119.271 120.765 -1.494 19522 7303 1 11 . 1 1 170 170 ALA C C 170 179.195 179.195 179.129 0.066 19522 7304 1 11 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.316 -1.413 19522 7305 1 11 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.793 -0.969 19522 7306 1 11 . 1 1 170 170 ALA H H 170 7.672 7.672 8.234 -0.562 19522 7307 1 11 . 1 1 171 171 ALA N N 171 120.393 120.393 121.591 -1.198 19522 7308 1 11 . 1 1 171 171 ALA C C 171 180.833 180.833 179.408 1.425 19522 7309 1 11 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.587 -0.445 19522 7310 1 11 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.680 -1.176 19522 7311 1 11 . 1 1 171 171 ALA H H 171 7.258 7.258 7.133 0.125 19522 7312 1 11 . 1 1 172 172 TRP N N 172 121.501 121.501 118.315 3.186 19522 7313 1 11 . 1 1 172 172 TRP C C 172 179.350 179.350 178.551 0.799 19522 7314 1 11 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.856 -1.837 19522 7315 1 11 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.615 -1.323 19522 7316 1 11 . 1 1 172 172 TRP H H 172 8.936 8.936 7.446 1.490 19522 7317 1 11 . 1 1 173 173 MET N N 173 117.211 117.211 119.885 -2.674 19522 7318 1 11 . 1 1 173 173 MET C C 173 176.158 176.158 178.276 -2.118 19522 7319 1 11 . 1 1 173 173 MET CA C 173 60.238 60.238 59.260 0.978 19522 7320 1 11 . 1 1 173 173 MET CB C 173 28.833 28.833 32.893 -4.060 19522 7321 1 11 . 1 1 173 173 MET H H 173 8.885 8.885 8.651 0.234 19522 7322 1 11 . 1 1 174 174 ALA N N 174 120.901 120.901 120.308 0.593 19522 7323 1 11 . 1 1 174 174 ALA C C 174 178.875 178.875 179.607 -0.732 19522 7324 1 11 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.411 -0.550 19522 7325 1 11 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.056 -1.369 19522 7326 1 11 . 1 1 174 174 ALA H H 174 8.206 8.206 8.365 -0.159 19522 7327 1 11 . 1 1 175 175 THR N N 175 116.591 116.591 117.121 -0.530 19522 7328 1 11 . 1 1 175 175 THR C C 175 174.782 174.782 176.683 -1.901 19522 7329 1 11 . 1 1 175 175 THR CA C 175 66.209 66.209 66.633 -0.424 19522 7330 1 11 . 1 1 175 175 THR CB C 175 68.046 68.046 68.745 -0.699 19522 7331 1 11 . 1 1 175 175 THR H H 175 8.530 8.530 7.595 0.935 19522 7332 1 11 . 1 1 176 176 TYR N N 176 123.375 123.375 123.233 0.142 19522 7333 1 11 . 1 1 176 176 TYR C C 176 179.255 179.255 177.270 1.985 19522 7334 1 11 . 1 1 176 176 TYR CA C 176 62.373 62.373 59.866 2.507 19522 7335 1 11 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.523 -0.660 19522 7336 1 11 . 1 1 176 176 TYR H H 176 8.822 8.822 8.515 0.307 19522 7337 1 11 . 1 1 177 177 LEU N N 177 119.511 119.511 121.225 -1.714 19522 7338 1 11 . 1 1 177 177 LEU C C 177 177.979 177.979 178.304 -0.325 19522 7339 1 11 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.564 -0.107 19522 7340 1 11 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.833 -0.557 19522 7341 1 11 . 1 1 177 177 LEU H H 177 8.759 8.759 8.786 -0.027 19522 7342 1 11 . 1 1 178 178 ASN N N 178 117.233 117.233 116.493 0.740 19522 7343 1 11 . 1 1 178 178 ASN C C 178 176.021 176.021 176.699 -0.678 19522 7344 1 11 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.899 -0.056 19522 7345 1 11 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.451 -0.348 19522 7346 1 11 . 1 1 178 178 ASN H H 178 8.333 8.333 7.739 0.594 19522 7347 1 11 . 1 1 179 179 ASP N N 179 115.264 115.264 119.262 -3.998 19522 7348 1 11 . 1 1 179 179 ASP C C 179 177.557 177.557 176.787 0.770 19522 7349 1 11 . 1 1 179 179 ASP CA C 179 55.900 55.900 57.069 -1.169 19522 7350 1 11 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.459 -2.180 19522 7351 1 11 . 1 1 179 179 ASP H H 179 8.451 8.451 7.880 0.571 19522 7352 1 11 . 1 1 180 180 HIS N N 180 111.728 111.728 115.461 -3.733 19522 7353 1 11 . 1 1 180 180 HIS C C 180 175.479 175.479 177.077 -1.598 19522 7354 1 11 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.323 -0.902 19522 7355 1 11 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.724 -3.115 19522 7356 1 11 . 1 1 180 180 HIS H H 180 8.073 8.073 7.604 0.469 19522 7357 1 11 . 1 1 181 181 LEU N N 181 116.833 116.833 122.077 -5.244 19522 7358 1 11 . 1 1 181 181 LEU C C 181 176.160 176.160 178.329 -2.169 19522 7359 1 11 . 1 1 181 181 LEU CA C 181 55.021 55.021 59.050 -4.029 19522 7360 1 11 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.890 -0.134 19522 7361 1 11 . 1 1 181 181 LEU H H 181 7.183 7.183 7.640 -0.457 19522 7362 1 11 . 1 1 182 182 GLU N N 182 121.364 121.364 118.661 2.703 19522 7363 1 11 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.780 -0.766 19522 7364 1 11 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.530 -1.574 19522 7365 1 11 . 1 1 182 182 GLU H H 182 8.596 8.596 8.720 -0.124 19522 7366 1 11 . 1 1 184 184 TRP N N 184 117.804 117.804 118.179 -0.375 19522 7367 1 11 . 1 1 184 184 TRP C C 184 179.217 179.217 177.549 1.668 19522 7368 1 11 . 1 1 184 184 TRP CA C 184 65.672 65.672 58.722 6.950 19522 7369 1 11 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.350 -1.277 19522 7370 1 11 . 1 1 184 184 TRP H H 184 7.070 7.070 7.664 -0.594 19522 7371 1 11 . 1 1 185 185 ILE N N 185 121.825 121.825 119.357 2.468 19522 7372 1 11 . 1 1 185 185 ILE C C 185 178.655 178.655 178.521 0.134 19522 7373 1 11 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.973 0.299 19522 7374 1 11 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.849 -1.903 19522 7375 1 11 . 1 1 185 185 ILE H H 185 8.396 8.396 8.551 -0.155 19522 7376 1 11 . 1 1 186 186 GLN N N 186 116.489 116.489 116.194 0.295 19522 7377 1 11 . 1 1 186 186 GLN C C 186 179.035 179.035 176.362 2.673 19522 7378 1 11 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.018 0.800 19522 7379 1 11 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.773 -0.960 19522 7380 1 11 . 1 1 186 186 GLN H H 186 8.374 8.374 8.033 0.341 19522 7381 1 11 . 1 1 187 187 GLU N N 187 118.764 118.764 119.311 -0.547 19522 7382 1 11 . 1 1 187 187 GLU C C 187 176.458 176.458 177.451 -0.993 19522 7383 1 11 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.767 0.252 19522 7384 1 11 . 1 1 187 187 GLU CB C 187 28.411 28.411 31.053 -2.642 19522 7385 1 11 . 1 1 187 187 GLU H H 187 7.515 7.515 7.690 -0.175 19522 7386 1 11 . 1 1 188 188 ASN N N 188 116.561 116.561 116.563 -0.002 19522 7387 1 11 . 1 1 188 188 ASN C C 188 173.620 173.620 174.683 -1.063 19522 7388 1 11 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.264 -0.401 19522 7389 1 11 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.473 -2.752 19522 7390 1 11 . 1 1 188 188 ASN H H 188 7.092 7.092 7.725 -0.633 19522 7391 1 11 . 1 1 189 189 GLY N N 189 104.897 104.897 103.703 1.194 19522 7392 1 11 . 1 1 189 189 GLY C C 189 175.658 175.658 172.867 2.791 19522 7393 1 11 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.398 0.394 19522 7394 1 11 . 1 1 189 189 GLY H H 189 7.339 7.339 7.279 0.060 19522 7395 1 11 . 1 1 190 190 GLY N N 190 108.292 108.292 109.354 -1.062 19522 7396 1 11 . 1 1 190 190 GLY C C 190 173.021 173.021 174.652 -1.631 19522 7397 1 11 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.322 -1.968 19522 7398 1 11 . 1 1 190 190 GLY H H 190 8.462 8.462 9.327 -0.865 19522 7399 1 11 . 1 1 191 191 TRP N N 191 118.031 118.031 121.499 -3.468 19522 7400 1 11 . 1 1 191 191 TRP C C 191 178.136 178.136 177.179 0.957 19522 7401 1 11 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.062 -0.646 19522 7402 1 11 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.014 -0.364 19522 7403 1 11 . 1 1 191 191 TRP H H 191 8.673 8.673 8.331 0.342 19522 7404 1 11 . 1 1 192 192 ASP N N 192 117.298 117.298 118.836 -1.538 19522 7405 1 11 . 1 1 192 192 ASP C C 192 179.058 179.058 177.758 1.300 19522 7406 1 11 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.218 0.641 19522 7407 1 11 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.280 -0.001 19522 7408 1 11 . 1 1 192 192 ASP H H 192 8.846 8.846 7.952 0.894 19522 7409 1 11 . 1 1 193 193 THR N N 193 116.061 116.061 113.845 2.216 19522 7410 1 11 . 1 1 193 193 THR C C 193 174.979 174.979 176.282 -1.303 19522 7411 1 11 . 1 1 193 193 THR CA C 193 65.649 65.649 64.363 1.286 19522 7412 1 11 . 1 1 193 193 THR CB C 193 67.327 67.327 68.372 -1.045 19522 7413 1 11 . 1 1 193 193 THR H H 193 7.431 7.431 7.225 0.206 19522 7414 1 11 . 1 1 194 194 PHE N N 194 121.789 121.789 123.017 -1.228 19522 7415 1 11 . 1 1 194 194 PHE C C 194 176.418 176.418 177.467 -1.049 19522 7416 1 11 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.166 -0.152 19522 7417 1 11 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.247 -2.366 19522 7418 1 11 . 1 1 194 194 PHE H H 194 6.527 6.527 8.216 -1.689 19522 7419 1 11 . 1 1 195 195 VAL N N 195 116.988 116.988 118.615 -1.627 19522 7420 1 11 . 1 1 195 195 VAL C C 195 178.078 178.078 177.907 0.171 19522 7421 1 11 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.056 -0.304 19522 7422 1 11 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.563 -0.075 19522 7423 1 11 . 1 1 195 195 VAL H H 195 7.747 7.747 7.922 -0.175 19522 7424 1 11 . 1 1 196 196 GLU N N 196 120.171 120.171 119.270 0.901 19522 7425 1 11 . 1 1 196 196 GLU C C 196 177.976 177.976 177.827 0.149 19522 7426 1 11 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.263 -0.943 19522 7427 1 11 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.292 -0.619 19522 7428 1 11 . 1 1 196 196 GLU H H 196 7.497 7.497 7.991 -0.494 19522 7429 1 11 . 1 1 197 197 LEU N N 197 117.210 117.210 114.056 3.154 19522 7430 1 11 . 1 1 197 197 LEU C C 197 178.376 178.376 176.199 2.177 19522 7431 1 11 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.859 1.041 19522 7432 1 11 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.578 0.817 19522 7433 1 11 . 1 1 197 197 LEU H H 197 7.626 7.626 7.326 0.300 19522 7434 1 11 . 1 1 198 198 TYR N N 198 115.681 115.681 120.252 -4.571 19522 7435 1 11 . 1 1 198 198 TYR C C 198 176.577 176.577 176.157 0.420 19522 7436 1 11 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.928 -0.551 19522 7437 1 11 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.970 -2.449 19522 7438 1 11 . 1 1 198 198 TYR H H 198 8.081 8.081 7.733 0.348 19522 7439 1 11 . 1 1 199 199 GLY N N 199 108.201 108.201 107.156 1.045 19522 7440 1 11 . 1 1 199 199 GLY C C 199 173.640 173.640 175.226 -1.586 19522 7441 1 11 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.356 -0.803 19522 7442 1 11 . 1 1 199 199 GLY H H 199 8.032 8.032 8.004 0.028 19522 7443 1 11 . 1 1 200 200 ASN N N 200 118.385 118.385 118.746 -0.361 19522 7444 1 11 . 1 1 200 200 ASN C C 200 175.081 175.081 174.405 0.676 19522 7445 1 11 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.771 0.013 19522 7446 1 11 . 1 1 200 200 ASN CB C 200 37.441 37.441 38.867 -1.426 19522 7447 1 11 . 1 1 200 200 ASN H H 200 8.300 8.300 8.193 0.107 19522 7448 1 12 . 1 1 5 5 SER N N 5 116.171 116.171 120.762 -4.591 19522 7449 1 12 . 1 1 5 5 SER C C 5 174.320 174.320 174.430 -0.110 19522 7450 1 12 . 1 1 5 5 SER CA C 5 57.898 57.898 58.527 -0.629 19522 7451 1 12 . 1 1 5 5 SER CB C 5 62.533 62.533 63.748 -1.214 19522 7452 1 12 . 1 1 5 5 SER H H 5 8.224 8.224 8.775 -0.551 19522 7453 1 12 . 1 1 6 6 GLN N N 6 122.369 122.369 118.313 4.056 19522 7454 1 12 . 1 1 6 6 GLN C C 6 176.418 176.418 175.932 0.486 19522 7455 1 12 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.036 -0.136 19522 7456 1 12 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.613 1.197 19522 7457 1 12 . 1 1 6 6 GLN H H 6 8.337 8.337 8.441 -0.104 19522 7458 1 12 . 1 1 7 7 SER N N 7 116.584 116.584 114.984 1.600 19522 7459 1 12 . 1 1 7 7 SER C C 7 175.859 175.859 176.121 -0.262 19522 7460 1 12 . 1 1 7 7 SER CA C 7 56.260 56.260 60.772 -4.512 19522 7461 1 12 . 1 1 7 7 SER CB C 7 61.916 61.916 62.858 -0.942 19522 7462 1 12 . 1 1 7 7 SER H H 7 8.221 8.221 8.838 -0.617 19522 7463 1 12 . 1 1 8 8 ASN N N 8 119.373 119.373 120.917 -1.544 19522 7464 1 12 . 1 1 8 8 ASN C C 8 177.259 177.259 177.099 0.160 19522 7465 1 12 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.800 -2.593 19522 7466 1 12 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.367 -1.702 19522 7467 1 12 . 1 1 8 8 ASN H H 8 8.375 8.375 7.847 0.528 19522 7468 1 12 . 1 1 9 9 ARG N N 9 119.039 119.039 121.617 -2.578 19522 7469 1 12 . 1 1 9 9 ARG C C 9 176.977 176.977 178.447 -1.470 19522 7470 1 12 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.351 -1.345 19522 7471 1 12 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.222 1.088 19522 7472 1 12 . 1 1 9 9 ARG H H 9 7.815 7.815 8.649 -0.835 19522 7473 1 12 . 1 1 10 10 GLU N N 10 117.158 117.158 119.447 -2.289 19522 7474 1 12 . 1 1 10 10 GLU C C 10 179.475 179.475 179.127 0.348 19522 7475 1 12 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.453 -3.956 19522 7476 1 12 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.131 -0.138 19522 7477 1 12 . 1 1 10 10 GLU H H 10 7.949 7.949 8.346 -0.397 19522 7478 1 12 . 1 1 11 11 LEU N N 11 119.880 119.880 120.371 -0.491 19522 7479 1 12 . 1 1 11 11 LEU C C 11 178.096 178.096 178.872 -0.776 19522 7480 1 12 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.839 -0.638 19522 7481 1 12 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.334 -1.416 19522 7482 1 12 . 1 1 11 11 LEU H H 11 7.807 7.807 7.477 0.330 19522 7483 1 12 . 1 1 12 12 VAL N N 12 117.702 117.702 119.576 -1.874 19522 7484 1 12 . 1 1 12 12 VAL C C 12 176.377 176.377 178.523 -2.146 19522 7485 1 12 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.088 -0.000 19522 7486 1 12 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.180 -0.212 19522 7487 1 12 . 1 1 12 12 VAL H H 12 7.690 7.690 8.046 -0.356 19522 7488 1 12 . 1 1 13 13 VAL N N 13 116.258 116.258 115.689 0.569 19522 7489 1 12 . 1 1 13 13 VAL C C 13 178.416 178.416 177.344 1.072 19522 7490 1 12 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.940 -0.028 19522 7491 1 12 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.727 -2.134 19522 7492 1 12 . 1 1 13 13 VAL H H 13 8.225 8.225 7.950 0.275 19522 7493 1 12 . 1 1 14 14 ASP N N 14 120.362 120.362 122.265 -1.903 19522 7494 1 12 . 1 1 14 14 ASP C C 14 177.040 177.040 177.861 -0.821 19522 7495 1 12 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.422 0.556 19522 7496 1 12 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.109 1.149 19522 7497 1 12 . 1 1 14 14 ASP H H 14 7.967 7.967 8.007 -0.040 19522 7498 1 12 . 1 1 15 15 PHE N N 15 119.747 119.747 120.298 -0.551 19522 7499 1 12 . 1 1 15 15 PHE C C 15 177.876 177.876 177.265 0.611 19522 7500 1 12 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.069 1.406 19522 7501 1 12 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.117 -0.535 19522 7502 1 12 . 1 1 15 15 PHE H H 15 8.308 8.308 8.395 -0.087 19522 7503 1 12 . 1 1 16 16 LEU N N 16 116.203 116.203 119.875 -3.672 19522 7504 1 12 . 1 1 16 16 LEU C C 16 175.618 175.618 178.404 -2.786 19522 7505 1 12 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.096 -0.518 19522 7506 1 12 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.756 -1.416 19522 7507 1 12 . 1 1 16 16 LEU H H 16 8.718 8.718 7.955 0.763 19522 7508 1 12 . 1 1 17 17 SER N N 17 113.607 113.607 115.288 -1.681 19522 7509 1 12 . 1 1 17 17 SER C C 17 176.980 176.980 176.417 0.563 19522 7510 1 12 . 1 1 17 17 SER CA C 17 62.150 62.150 62.157 -0.007 19522 7511 1 12 . 1 1 17 17 SER CB C 17 60.854 60.854 62.734 -1.880 19522 7512 1 12 . 1 1 17 17 SER H H 17 8.338 8.338 8.191 0.147 19522 7513 1 12 . 1 1 18 18 TYR N N 18 124.591 124.591 122.079 2.512 19522 7514 1 12 . 1 1 18 18 TYR C C 18 177.996 177.996 176.662 1.334 19522 7515 1 12 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.833 -1.554 19522 7516 1 12 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.475 -2.130 19522 7517 1 12 . 1 1 18 18 TYR H H 18 8.228 8.228 7.897 0.331 19522 7518 1 12 . 1 1 19 19 LYS N N 19 119.761 119.761 118.261 1.500 19522 7519 1 12 . 1 1 19 19 LYS C C 19 179.841 179.841 178.437 1.404 19522 7520 1 12 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.035 -0.952 19522 7521 1 12 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.571 -3.921 19522 7522 1 12 . 1 1 19 19 LYS H H 19 8.230 8.230 7.305 0.925 19522 7523 1 12 . 1 1 20 20 LEU N N 20 118.077 118.077 120.132 -2.055 19522 7524 1 12 . 1 1 20 20 LEU C C 20 179.654 179.654 177.280 2.374 19522 7525 1 12 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.965 1.013 19522 7526 1 12 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.814 -2.376 19522 7527 1 12 . 1 1 20 20 LEU H H 20 8.534 8.534 8.190 0.344 19522 7528 1 12 . 1 1 21 21 SER N N 21 117.073 117.073 111.936 5.137 19522 7529 1 12 . 1 1 21 21 SER C C 21 178.204 178.204 174.585 3.619 19522 7530 1 12 . 1 1 21 21 SER CA C 21 60.375 60.375 58.675 1.700 19522 7531 1 12 . 1 1 21 21 SER CB C 21 61.836 61.836 62.575 -0.739 19522 7532 1 12 . 1 1 21 21 SER H H 21 8.239 8.239 7.539 0.700 19522 7533 1 12 . 1 1 22 22 GLN N N 22 122.767 122.767 121.436 1.331 19522 7534 1 12 . 1 1 22 22 GLN C C 22 176.997 176.997 175.610 1.387 19522 7535 1 12 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.801 -0.223 19522 7536 1 12 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.491 -2.359 19522 7537 1 12 . 1 1 22 22 GLN H H 22 7.632 7.632 7.604 0.028 19522 7538 1 12 . 1 1 23 23 LYS N N 23 116.016 116.016 115.983 0.033 19522 7539 1 12 . 1 1 23 23 LYS C C 23 175.419 175.419 174.529 0.890 19522 7540 1 12 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.335 -3.392 19522 7541 1 12 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.013 -2.965 19522 7542 1 12 . 1 1 23 23 LYS H H 23 7.167 7.167 8.151 -0.984 19522 7543 1 12 . 1 1 24 24 GLY N N 24 105.329 105.329 109.186 -3.857 19522 7544 1 12 . 1 1 24 24 GLY C C 24 173.680 173.680 172.854 0.826 19522 7545 1 12 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.041 -0.728 19522 7546 1 12 . 1 1 24 24 GLY H H 24 7.504 7.504 7.999 -0.495 19522 7547 1 12 . 1 1 25 25 TYR N N 25 119.528 119.528 117.008 2.520 19522 7548 1 12 . 1 1 25 25 TYR C C 25 174.779 174.779 174.750 0.029 19522 7549 1 12 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.618 2.143 19522 7550 1 12 . 1 1 25 25 TYR CB C 25 39.301 39.301 37.058 2.243 19522 7551 1 12 . 1 1 25 25 TYR H H 25 7.817 7.817 7.317 0.500 19522 7552 1 12 . 1 1 26 26 SER N N 26 115.815 115.815 122.426 -6.611 19522 7553 1 12 . 1 1 26 26 SER C C 26 173.860 173.860 175.823 -1.963 19522 7554 1 12 . 1 1 26 26 SER CA C 26 56.083 56.083 58.007 -1.924 19522 7555 1 12 . 1 1 26 26 SER CB C 26 63.275 63.275 63.528 -0.252 19522 7556 1 12 . 1 1 26 26 SER H H 26 8.475 8.475 7.827 0.648 19522 7557 1 12 . 1 1 27 27 TRP N N 27 126.476 126.476 121.103 5.373 19522 7558 1 12 . 1 1 27 27 TRP C C 27 174.141 174.141 176.986 -2.845 19522 7559 1 12 . 1 1 27 27 TRP CA C 27 58.400 58.400 57.861 0.539 19522 7560 1 12 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.098 0.112 19522 7561 1 12 . 1 1 27 27 TRP H H 27 8.720 8.720 7.803 0.917 19522 7562 1 12 . 1 1 28 28 SER N N 28 114.011 114.011 114.257 -0.246 19522 7563 1 12 . 1 1 28 28 SER C C 28 172.859 172.859 175.405 -2.546 19522 7564 1 12 . 1 1 28 28 SER CA C 28 66.186 66.186 60.226 5.960 19522 7565 1 12 . 1 1 28 28 SER CB C 28 61.996 61.996 62.346 -0.350 19522 7566 1 12 . 1 1 28 28 SER H H 28 8.034 8.034 7.672 0.362 19522 7567 1 12 . 1 1 29 29 GLN N N 29 120.138 120.138 119.646 0.492 19522 7568 1 12 . 1 1 29 29 GLN C C 29 177.250 177.250 176.698 0.552 19522 7569 1 12 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.696 -2.526 19522 7570 1 12 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.143 -0.804 19522 7571 1 12 . 1 1 29 29 GLN H H 29 7.323 7.323 7.294 0.029 19522 7572 1 12 . 1 1 30 30 PHE N N 30 113.775 113.775 119.346 -5.571 19522 7573 1 12 . 1 1 30 30 PHE C C 30 176.814 176.814 176.834 -0.020 19522 7574 1 12 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.427 -3.264 19522 7575 1 12 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.486 -1.646 19522 7576 1 12 . 1 1 30 30 PHE H H 30 6.778 6.778 7.646 -0.868 19522 7577 1 12 . 1 1 87 87 ALA N N 87 124.732 124.732 125.528 -0.796 19522 7578 1 12 . 1 1 87 87 ALA C C 87 175.941 175.941 177.098 -1.157 19522 7579 1 12 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.341 -2.491 19522 7580 1 12 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.419 -1.853 19522 7581 1 12 . 1 1 87 87 ALA H H 87 8.079 8.079 8.959 -0.880 19522 7582 1 12 . 1 1 88 88 ALA N N 88 121.664 121.664 120.213 1.451 19522 7583 1 12 . 1 1 88 88 ALA C C 88 177.523 177.523 177.745 -0.222 19522 7584 1 12 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.310 3.841 19522 7585 1 12 . 1 1 88 88 ALA CB C 88 17.463 17.463 16.980 0.483 19522 7586 1 12 . 1 1 88 88 ALA H H 88 7.951 7.951 7.676 0.275 19522 7587 1 12 . 1 1 89 89 VAL N N 89 119.415 119.415 119.335 0.080 19522 7588 1 12 . 1 1 89 89 VAL C C 89 176.857 176.857 176.637 0.220 19522 7589 1 12 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.086 -4.250 19522 7590 1 12 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.415 -0.344 19522 7591 1 12 . 1 1 89 89 VAL H H 89 8.161 8.161 8.484 -0.323 19522 7592 1 12 . 1 1 90 90 LYS N N 90 121.221 121.221 119.070 2.151 19522 7593 1 12 . 1 1 90 90 LYS C C 90 175.559 175.559 178.421 -2.862 19522 7594 1 12 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.923 -3.840 19522 7595 1 12 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.905 -2.992 19522 7596 1 12 . 1 1 90 90 LYS H H 90 8.529 8.529 8.291 0.238 19522 7597 1 12 . 1 1 91 91 GLN N N 91 115.879 115.879 118.388 -2.509 19522 7598 1 12 . 1 1 91 91 GLN C C 91 176.950 176.950 178.087 -1.137 19522 7599 1 12 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.267 -0.345 19522 7600 1 12 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.094 -0.859 19522 7601 1 12 . 1 1 91 91 GLN H H 91 7.973 7.973 7.662 0.311 19522 7602 1 12 . 1 1 92 92 ALA N N 92 119.538 119.538 123.590 -4.052 19522 7603 1 12 . 1 1 92 92 ALA C C 92 179.537 179.537 179.818 -0.281 19522 7604 1 12 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.465 -1.220 19522 7605 1 12 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.403 -1.636 19522 7606 1 12 . 1 1 92 92 ALA H H 92 7.661 7.661 8.437 -0.776 19522 7607 1 12 . 1 1 93 93 LEU N N 93 120.236 120.236 118.203 2.033 19522 7608 1 12 . 1 1 93 93 LEU C C 93 179.075 179.075 179.168 -0.093 19522 7609 1 12 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.001 0.786 19522 7610 1 12 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.370 0.187 19522 7611 1 12 . 1 1 93 93 LEU H H 93 8.544 8.544 8.206 0.338 19522 7612 1 12 . 1 1 94 94 ARG N N 94 118.361 118.361 120.719 -2.358 19522 7613 1 12 . 1 1 94 94 ARG C C 94 178.396 178.396 178.525 -0.129 19522 7614 1 12 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.702 0.034 19522 7615 1 12 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.669 -1.578 19522 7616 1 12 . 1 1 94 94 ARG H H 94 8.057 8.057 7.865 0.192 19522 7617 1 12 . 1 1 95 95 GLU N N 95 115.851 115.851 119.277 -3.426 19522 7618 1 12 . 1 1 95 95 GLU C C 95 179.794 179.794 178.988 0.806 19522 7619 1 12 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.822 -1.605 19522 7620 1 12 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.401 -1.310 19522 7621 1 12 . 1 1 95 95 GLU H H 95 7.737 7.737 8.280 -0.543 19522 7622 1 12 . 1 1 96 96 ALA N N 96 122.958 122.958 121.272 1.686 19522 7623 1 12 . 1 1 96 96 ALA C C 96 181.313 181.313 180.060 1.253 19522 7624 1 12 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.178 -0.876 19522 7625 1 12 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.206 -0.503 19522 7626 1 12 . 1 1 96 96 ALA H H 96 8.824 8.824 7.826 0.998 19522 7627 1 12 . 1 1 97 97 GLY N N 97 108.363 108.363 106.688 1.675 19522 7628 1 12 . 1 1 97 97 GLY C C 97 178.177 178.177 176.355 1.822 19522 7629 1 12 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.355 -1.363 19522 7630 1 12 . 1 1 97 97 GLY H H 97 9.088 9.088 8.390 0.698 19522 7631 1 12 . 1 1 98 98 ASP N N 98 122.197 122.197 122.393 -0.196 19522 7632 1 12 . 1 1 98 98 ASP C C 98 178.715 178.715 178.842 -0.127 19522 7633 1 12 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.370 -0.351 19522 7634 1 12 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.950 -2.471 19522 7635 1 12 . 1 1 98 98 ASP H H 98 8.102 8.102 8.287 -0.185 19522 7636 1 12 . 1 1 99 99 GLU N N 99 120.103 120.103 119.826 0.277 19522 7637 1 12 . 1 1 99 99 GLU C C 99 179.513 179.513 179.315 0.198 19522 7638 1 12 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.408 -5.656 19522 7639 1 12 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.780 -1.290 19522 7640 1 12 . 1 1 99 99 GLU H H 99 8.115 8.115 8.409 -0.294 19522 7641 1 12 . 1 1 100 100 PHE N N 100 120.218 120.218 118.325 1.893 19522 7642 1 12 . 1 1 100 100 PHE C C 100 178.618 178.618 177.909 0.709 19522 7643 1 12 . 1 1 100 100 PHE CA C 100 57.460 57.460 60.995 -3.535 19522 7644 1 12 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.481 0.855 19522 7645 1 12 . 1 1 100 100 PHE H H 100 8.535 8.535 8.450 0.085 19522 7646 1 12 . 1 1 101 101 GLU N N 101 117.531 117.531 121.236 -3.705 19522 7647 1 12 . 1 1 101 101 GLU C C 101 177.339 177.339 179.055 -1.716 19522 7648 1 12 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.125 -2.524 19522 7649 1 12 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.801 -1.208 19522 7650 1 12 . 1 1 101 101 GLU H H 101 8.032 8.032 8.450 -0.418 19522 7651 1 12 . 1 1 102 102 LEU N N 102 116.641 116.641 116.206 0.435 19522 7652 1 12 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.926 -1.339 19522 7653 1 12 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.620 -0.847 19522 7654 1 12 . 1 1 102 102 LEU H H 102 7.369 7.369 7.829 -0.460 19522 7655 1 12 . 1 1 103 103 ARG N N 103 115.854 115.854 118.580 -2.726 19522 7656 1 12 . 1 1 103 103 ARG C C 103 177.605 177.605 177.842 -0.237 19522 7657 1 12 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.292 0.695 19522 7658 1 12 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.046 0.104 19522 7659 1 12 . 1 1 103 103 ARG H H 103 7.472 7.472 7.733 -0.261 19522 7660 1 12 . 1 1 104 104 TYR N N 104 119.078 119.078 119.245 -0.167 19522 7661 1 12 . 1 1 104 104 TYR C C 104 174.962 174.962 177.534 -2.572 19522 7662 1 12 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.335 -0.494 19522 7663 1 12 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.634 -2.006 19522 7664 1 12 . 1 1 104 104 TYR H H 104 7.904 7.904 7.562 0.342 19522 7665 1 12 . 1 1 105 105 ARG N N 105 119.378 119.378 118.489 0.889 19522 7666 1 12 . 1 1 105 105 ARG C C 105 178.395 178.395 177.106 1.289 19522 7667 1 12 . 1 1 105 105 ARG CA C 105 57.921 57.921 57.000 0.921 19522 7668 1 12 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.318 -1.524 19522 7669 1 12 . 1 1 105 105 ARG H H 105 7.195 7.195 8.690 -1.495 19522 7670 1 12 . 1 1 106 106 ARG N N 106 118.875 118.875 119.583 -0.708 19522 7671 1 12 . 1 1 106 106 ARG C C 106 177.257 177.257 175.943 1.314 19522 7672 1 12 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.437 1.478 19522 7673 1 12 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.240 -2.686 19522 7674 1 12 . 1 1 106 106 ARG H H 106 8.452 8.452 7.922 0.530 19522 7675 1 12 . 1 1 107 107 ALA N N 107 121.864 121.864 122.189 -0.325 19522 7676 1 12 . 1 1 107 107 ALA C C 107 175.701 175.701 177.691 -1.990 19522 7677 1 12 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.148 0.497 19522 7678 1 12 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.752 0.311 19522 7679 1 12 . 1 1 107 107 ALA H H 107 7.839 7.839 7.679 0.160 19522 7680 1 12 . 1 1 108 108 PHE N N 108 121.984 121.984 121.577 0.407 19522 7681 1 12 . 1 1 108 108 PHE C C 108 174.982 174.982 174.634 0.348 19522 7682 1 12 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.040 0.002 19522 7683 1 12 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.036 2.802 19522 7684 1 12 . 1 1 108 108 PHE H H 108 8.392 8.392 7.842 0.550 19522 7685 1 12 . 1 1 109 109 SER N N 109 114.585 114.585 117.080 -2.495 19522 7686 1 12 . 1 1 109 109 SER C C 109 175.421 175.421 174.356 1.065 19522 7687 1 12 . 1 1 109 109 SER CA C 109 55.044 55.044 56.980 -1.936 19522 7688 1 12 . 1 1 109 109 SER CB C 109 63.241 63.241 65.496 -2.255 19522 7689 1 12 . 1 1 109 109 SER H H 109 7.810 7.810 7.715 0.095 19522 7690 1 12 . 1 1 110 110 ASP N N 110 119.725 119.725 122.085 -2.360 19522 7691 1 12 . 1 1 110 110 ASP C C 110 178.196 178.196 178.078 0.118 19522 7692 1 12 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.112 -1.132 19522 7693 1 12 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.587 -2.747 19522 7694 1 12 . 1 1 110 110 ASP H H 110 8.380 8.380 8.567 -0.187 19522 7695 1 12 . 1 1 111 111 LEU N N 111 120.827 120.827 119.845 0.982 19522 7696 1 12 . 1 1 111 111 LEU C C 111 178.804 178.804 178.459 0.345 19522 7697 1 12 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.164 -1.065 19522 7698 1 12 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.880 -1.083 19522 7699 1 12 . 1 1 111 111 LEU H H 111 7.783 7.783 8.236 -0.453 19522 7700 1 12 . 1 1 112 112 THR N N 112 109.101 109.101 110.841 -1.740 19522 7701 1 12 . 1 1 112 112 THR C C 112 177.157 177.157 176.437 0.720 19522 7702 1 12 . 1 1 112 112 THR CA C 112 64.690 64.690 65.393 -0.703 19522 7703 1 12 . 1 1 112 112 THR CB C 112 67.407 67.407 68.442 -1.035 19522 7704 1 12 . 1 1 112 112 THR H H 112 8.331 8.331 7.990 0.341 19522 7705 1 12 . 1 1 113 113 SER N N 113 115.811 115.811 116.510 -0.699 19522 7706 1 12 . 1 1 113 113 SER C C 113 175.319 175.319 176.221 -0.902 19522 7707 1 12 . 1 1 113 113 SER CA C 113 59.736 59.736 60.623 -0.887 19522 7708 1 12 . 1 1 113 113 SER CB C 113 62.213 62.213 63.451 -1.238 19522 7709 1 12 . 1 1 113 113 SER H H 113 7.645 7.645 7.798 -0.153 19522 7710 1 12 . 1 1 114 114 GLN N N 114 118.421 118.421 122.755 -4.334 19522 7711 1 12 . 1 1 114 114 GLN C C 114 175.978 175.978 177.827 -1.849 19522 7712 1 12 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.223 -1.764 19522 7713 1 12 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.697 -0.686 19522 7714 1 12 . 1 1 114 114 GLN H H 114 7.614 7.614 8.001 -0.387 19522 7715 1 12 . 1 1 115 115 LEU N N 115 118.236 118.236 118.369 -0.133 19522 7716 1 12 . 1 1 115 115 LEU C C 115 176.198 176.198 177.406 -1.208 19522 7717 1 12 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.951 -1.147 19522 7718 1 12 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.658 -0.103 19522 7719 1 12 . 1 1 115 115 LEU H H 115 7.383 7.383 8.163 -0.780 19522 7720 1 12 . 1 1 116 116 HIS N N 116 119.694 119.694 116.541 3.153 19522 7721 1 12 . 1 1 116 116 HIS C C 116 174.122 174.122 174.200 -0.078 19522 7722 1 12 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.627 -0.248 19522 7723 1 12 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.121 -0.870 19522 7724 1 12 . 1 1 116 116 HIS H H 116 8.158 8.158 7.765 0.393 19522 7725 1 12 . 1 1 117 117 ILE N N 117 122.347 122.347 115.070 7.277 19522 7726 1 12 . 1 1 117 117 ILE C C 117 176.377 176.377 175.636 0.741 19522 7727 1 12 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.828 -1.111 19522 7728 1 12 . 1 1 117 117 ILE CB C 117 37.224 37.224 36.424 0.800 19522 7729 1 12 . 1 1 117 117 ILE H H 117 8.658 8.658 8.131 0.527 19522 7730 1 12 . 1 1 118 118 THR N N 118 115.798 115.798 119.021 -3.223 19522 7731 1 12 . 1 1 118 118 THR CA C 118 57.921 57.921 59.878 -1.957 19522 7732 1 12 . 1 1 118 118 THR CB C 118 63.434 63.434 68.930 -5.496 19522 7733 1 12 . 1 1 118 118 THR H H 118 8.227 8.227 8.185 0.042 19522 7734 1 12 . 1 1 120 120 GLY N N 120 109.574 109.574 108.463 1.111 19522 7735 1 12 . 1 1 120 120 GLY C C 120 180.495 180.495 173.928 6.567 19522 7736 1 12 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.889 -1.496 19522 7737 1 12 . 1 1 120 120 GLY H H 120 8.429 8.429 8.181 0.248 19522 7738 1 12 . 1 1 121 121 THR N N 121 113.419 113.419 113.421 -0.002 19522 7739 1 12 . 1 1 121 121 THR C C 121 178.096 178.096 175.282 2.814 19522 7740 1 12 . 1 1 121 121 THR CA C 121 62.041 62.041 63.616 -1.575 19522 7741 1 12 . 1 1 121 121 THR CB C 121 63.994 63.994 67.956 -3.962 19522 7742 1 12 . 1 1 121 121 THR H H 121 7.774 7.774 8.468 -0.694 19522 7743 1 12 . 1 1 122 122 ALA N N 122 121.876 121.876 123.573 -1.697 19522 7744 1 12 . 1 1 122 122 ALA C C 122 177.397 177.397 177.201 0.196 19522 7745 1 12 . 1 1 122 122 ALA CA C 122 52.624 52.624 52.696 -0.072 19522 7746 1 12 . 1 1 122 122 ALA CB C 122 18.525 18.525 19.695 -1.170 19522 7747 1 12 . 1 1 122 122 ALA H H 122 7.944 7.944 7.992 -0.048 19522 7748 1 12 . 1 1 123 123 TYR N N 123 120.931 120.931 113.555 7.376 19522 7749 1 12 . 1 1 123 123 TYR C C 123 176.060 176.060 176.728 -0.668 19522 7750 1 12 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.943 1.112 19522 7751 1 12 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.312 -1.830 19522 7752 1 12 . 1 1 123 123 TYR H H 123 8.748 8.748 8.058 0.690 19522 7753 1 12 . 1 1 124 124 GLN N N 124 115.002 115.002 121.565 -6.563 19522 7754 1 12 . 1 1 124 124 GLN C C 124 178.098 178.098 178.231 -0.133 19522 7755 1 12 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.123 -0.483 19522 7756 1 12 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.410 -1.894 19522 7757 1 12 . 1 1 124 124 GLN H H 124 8.454 8.454 7.925 0.529 19522 7758 1 12 . 1 1 125 125 SER N N 125 114.135 114.135 115.639 -1.504 19522 7759 1 12 . 1 1 125 125 SER C C 125 179.557 179.557 176.169 3.388 19522 7760 1 12 . 1 1 125 125 SER CA C 125 61.357 61.357 61.336 0.021 19522 7761 1 12 . 1 1 125 125 SER CB C 125 61.357 61.357 62.702 -1.345 19522 7762 1 12 . 1 1 125 125 SER H H 125 7.283 7.283 7.621 -0.338 19522 7763 1 12 . 1 1 126 126 PHE N N 126 113.327 113.327 123.720 -10.393 19522 7764 1 12 . 1 1 126 126 PHE C C 126 174.879 174.879 176.818 -1.939 19522 7765 1 12 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.950 0.167 19522 7766 1 12 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.050 -1.347 19522 7767 1 12 . 1 1 126 126 PHE H H 126 6.606 6.606 8.096 -1.490 19522 7768 1 12 . 1 1 127 127 GLU N N 127 119.398 119.398 118.777 0.621 19522 7769 1 12 . 1 1 127 127 GLU C C 127 176.857 176.857 179.038 -2.181 19522 7770 1 12 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.671 -1.613 19522 7771 1 12 . 1 1 127 127 GLU CB C 127 28.890 28.890 28.913 -0.024 19522 7772 1 12 . 1 1 127 127 GLU H H 127 8.546 8.546 8.058 0.488 19522 7773 1 12 . 1 1 128 128 GLN N N 128 114.754 114.754 119.455 -4.701 19522 7774 1 12 . 1 1 128 128 GLN C C 128 178.356 178.356 178.513 -0.157 19522 7775 1 12 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.615 -0.535 19522 7776 1 12 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.413 -1.418 19522 7777 1 12 . 1 1 128 128 GLN H H 128 7.525 7.525 8.224 -0.699 19522 7778 1 12 . 1 1 129 129 VAL N N 129 118.194 118.194 119.389 -1.195 19522 7779 1 12 . 1 1 129 129 VAL C C 129 177.756 177.756 178.152 -0.396 19522 7780 1 12 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.463 -1.373 19522 7781 1 12 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.262 -1.013 19522 7782 1 12 . 1 1 129 129 VAL H H 129 7.036 7.036 7.805 -0.769 19522 7783 1 12 . 1 1 130 130 VAL N N 130 119.459 119.459 119.239 0.220 19522 7784 1 12 . 1 1 130 130 VAL C C 130 177.714 177.714 177.670 0.044 19522 7785 1 12 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.253 -0.844 19522 7786 1 12 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.415 -0.943 19522 7787 1 12 . 1 1 130 130 VAL H H 130 7.831 7.831 8.241 -0.410 19522 7788 1 12 . 1 1 131 131 ASN N N 131 117.212 117.212 117.286 -0.074 19522 7789 1 12 . 1 1 131 131 ASN C C 131 178.775 178.775 177.253 1.522 19522 7790 1 12 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.602 -1.958 19522 7791 1 12 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.620 -2.356 19522 7792 1 12 . 1 1 131 131 ASN H H 131 8.374 8.374 8.446 -0.072 19522 7793 1 12 . 1 1 132 132 GLU N N 132 118.393 118.393 119.548 -1.155 19522 7794 1 12 . 1 1 132 132 GLU C C 132 179.097 179.097 178.630 0.467 19522 7795 1 12 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.946 -0.968 19522 7796 1 12 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.104 -1.732 19522 7797 1 12 . 1 1 132 132 GLU H H 132 7.226 7.226 7.412 -0.186 19522 7798 1 12 . 1 1 133 133 LEU N N 133 120.835 120.835 119.717 1.118 19522 7799 1 12 . 1 1 133 133 LEU C C 133 178.016 178.016 178.192 -0.176 19522 7800 1 12 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.480 -0.678 19522 7801 1 12 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.322 -1.541 19522 7802 1 12 . 1 1 133 133 LEU H H 133 7.467 7.467 7.369 0.098 19522 7803 1 12 . 1 1 134 134 PHE N N 134 112.847 112.847 117.438 -4.591 19522 7804 1 12 . 1 1 134 134 PHE C C 134 176.258 176.258 177.726 -1.468 19522 7805 1 12 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.836 -3.296 19522 7806 1 12 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.101 -0.238 19522 7807 1 12 . 1 1 134 134 PHE H H 134 6.926 6.926 7.290 -0.364 19522 7808 1 12 . 1 1 135 135 ARG N N 135 123.664 123.664 117.964 5.700 19522 7809 1 12 . 1 1 135 135 ARG C C 135 176.957 176.957 177.111 -0.154 19522 7810 1 12 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.513 0.424 19522 7811 1 12 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.438 -2.426 19522 7812 1 12 . 1 1 135 135 ARG H H 135 7.144 7.144 7.885 -0.741 19522 7813 1 12 . 1 1 136 136 ASP N N 136 116.448 116.448 116.303 0.145 19522 7814 1 12 . 1 1 136 136 ASP C C 136 175.339 175.339 177.054 -1.715 19522 7815 1 12 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.290 -0.947 19522 7816 1 12 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.412 -4.814 19522 7817 1 12 . 1 1 136 136 ASP H H 136 8.607 8.607 7.609 0.998 19522 7818 1 12 . 1 1 137 137 GLY N N 137 108.506 108.506 108.418 0.088 19522 7819 1 12 . 1 1 137 137 GLY C C 137 172.324 172.324 174.005 -1.681 19522 7820 1 12 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.565 -1.770 19522 7821 1 12 . 1 1 137 137 GLY H H 137 7.468 7.468 8.247 -0.779 19522 7822 1 12 . 1 1 138 138 VAL N N 138 120.519 120.519 122.396 -1.877 19522 7823 1 12 . 1 1 138 138 VAL C C 138 174.160 174.160 174.869 -0.709 19522 7824 1 12 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.372 0.521 19522 7825 1 12 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.274 1.534 19522 7826 1 12 . 1 1 138 138 VAL H H 138 8.181 8.181 8.448 -0.267 19522 7827 1 12 . 1 1 139 139 ASN N N 139 115.573 115.573 120.495 -4.922 19522 7828 1 12 . 1 1 139 139 ASN C C 139 174.959 174.959 175.749 -0.790 19522 7829 1 12 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.091 -0.066 19522 7830 1 12 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.050 -1.411 19522 7831 1 12 . 1 1 139 139 ASN H H 139 6.261 6.261 7.856 -1.595 19522 7832 1 12 . 1 1 140 140 TRP N N 140 118.231 118.231 127.058 -8.827 19522 7833 1 12 . 1 1 140 140 TRP C C 140 177.976 177.976 177.849 0.127 19522 7834 1 12 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.727 0.408 19522 7835 1 12 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.790 -0.181 19522 7836 1 12 . 1 1 140 140 TRP H H 140 8.413 8.413 8.978 -0.565 19522 7837 1 12 . 1 1 141 141 GLY N N 141 106.238 106.238 105.868 0.370 19522 7838 1 12 . 1 1 141 141 GLY C C 141 177.297 177.297 175.858 1.439 19522 7839 1 12 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.525 -0.054 19522 7840 1 12 . 1 1 141 141 GLY H H 141 8.494 8.494 8.872 -0.378 19522 7841 1 12 . 1 1 142 142 ARG N N 142 121.156 121.156 121.968 -0.812 19522 7842 1 12 . 1 1 142 142 ARG C C 142 177.457 177.457 178.073 -0.616 19522 7843 1 12 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.263 0.235 19522 7844 1 12 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.269 -0.660 19522 7845 1 12 . 1 1 142 142 ARG H H 142 8.104 8.104 7.553 0.551 19522 7846 1 12 . 1 1 143 143 ILE N N 143 120.888 120.888 120.636 0.252 19522 7847 1 12 . 1 1 143 143 ILE C C 143 177.756 177.756 177.276 0.480 19522 7848 1 12 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.302 1.587 19522 7849 1 12 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.853 -2.250 19522 7850 1 12 . 1 1 143 143 ILE H H 143 7.696 7.696 7.994 -0.298 19522 7851 1 12 . 1 1 144 144 VAL N N 144 120.958 120.958 118.804 2.154 19522 7852 1 12 . 1 1 144 144 VAL C C 144 177.557 177.557 177.683 -0.126 19522 7853 1 12 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.650 0.438 19522 7854 1 12 . 1 1 144 144 VAL CB C 144 30.089 30.089 29.972 0.117 19522 7855 1 12 . 1 1 144 144 VAL H H 144 8.229 8.229 7.451 0.778 19522 7856 1 12 . 1 1 145 145 ALA N N 145 121.229 121.229 122.926 -1.697 19522 7857 1 12 . 1 1 145 145 ALA C C 145 177.999 177.999 179.086 -1.087 19522 7858 1 12 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.089 -1.027 19522 7859 1 12 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.300 -1.317 19522 7860 1 12 . 1 1 145 145 ALA H H 145 7.579 7.579 7.522 0.057 19522 7861 1 12 . 1 1 146 146 PHE N N 146 119.338 119.338 120.068 -0.730 19522 7862 1 12 . 1 1 146 146 PHE C C 146 179.432 179.432 177.150 2.282 19522 7863 1 12 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.936 -0.767 19522 7864 1 12 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.964 -1.101 19522 7865 1 12 . 1 1 146 146 PHE H H 146 7.985 7.985 8.267 -0.282 19522 7866 1 12 . 1 1 147 147 PHE N N 147 119.900 119.900 117.239 2.661 19522 7867 1 12 . 1 1 147 147 PHE C C 147 177.399 177.399 177.789 -0.390 19522 7868 1 12 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.862 -2.743 19522 7869 1 12 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.317 1.121 19522 7870 1 12 . 1 1 147 147 PHE H H 147 7.824 7.824 8.073 -0.249 19522 7871 1 12 . 1 1 148 148 SER N N 148 114.725 114.725 116.847 -2.122 19522 7872 1 12 . 1 1 148 148 SER C C 148 177.357 177.357 176.170 1.187 19522 7873 1 12 . 1 1 148 148 SER CA C 148 63.115 63.115 62.262 0.853 19522 7874 1 12 . 1 1 148 148 SER CB C 148 61.893 61.893 62.441 -0.548 19522 7875 1 12 . 1 1 148 148 SER H H 148 8.423 8.423 8.016 0.407 19522 7876 1 12 . 1 1 149 149 PHE N N 149 124.361 124.361 121.200 3.161 19522 7877 1 12 . 1 1 149 149 PHE C C 149 176.338 176.338 178.046 -1.708 19522 7878 1 12 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.733 -2.397 19522 7879 1 12 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.556 -1.275 19522 7880 1 12 . 1 1 149 149 PHE H H 149 9.097 9.097 8.481 0.616 19522 7881 1 12 . 1 1 150 150 GLY N N 150 105.935 105.935 105.857 0.078 19522 7882 1 12 . 1 1 150 150 GLY C C 150 176.398 176.398 176.138 0.260 19522 7883 1 12 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.630 0.400 19522 7884 1 12 . 1 1 150 150 GLY H H 150 7.937 7.937 7.841 0.096 19522 7885 1 12 . 1 1 151 151 GLY N N 151 107.449 107.449 110.227 -2.778 19522 7886 1 12 . 1 1 151 151 GLY C C 151 174.300 174.300 175.841 -1.541 19522 7887 1 12 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.702 0.248 19522 7888 1 12 . 1 1 151 151 GLY H H 151 8.803 8.803 8.292 0.511 19522 7889 1 12 . 1 1 152 152 ALA N N 152 124.384 124.384 124.939 -0.555 19522 7890 1 12 . 1 1 152 152 ALA C C 152 177.636 177.636 179.263 -1.627 19522 7891 1 12 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.686 -0.544 19522 7892 1 12 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.351 -1.288 19522 7893 1 12 . 1 1 152 152 ALA H H 152 8.232 8.232 7.977 0.255 19522 7894 1 12 . 1 1 153 153 LEU N N 153 118.871 118.871 120.118 -1.247 19522 7895 1 12 . 1 1 153 153 LEU C C 153 179.937 179.937 178.698 1.239 19522 7896 1 12 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.722 -1.134 19522 7897 1 12 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.691 -1.031 19522 7898 1 12 . 1 1 153 153 LEU H H 153 8.159 8.159 7.865 0.294 19522 7899 1 12 . 1 1 154 154 CYS N N 154 118.554 118.554 118.750 -0.196 19522 7900 1 12 . 1 1 154 154 CYS C C 154 177.332 177.332 176.903 0.429 19522 7901 1 12 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.765 -2.469 19522 7902 1 12 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.023 -0.786 19522 7903 1 12 . 1 1 154 154 CYS H H 154 8.049 8.049 8.533 -0.484 19522 7904 1 12 . 1 1 155 155 VAL N N 155 118.474 118.474 122.156 -3.682 19522 7905 1 12 . 1 1 155 155 VAL C C 155 175.723 175.723 178.417 -2.694 19522 7906 1 12 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.034 -0.905 19522 7907 1 12 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.802 -0.073 19522 7908 1 12 . 1 1 155 155 VAL H H 155 8.016 8.016 7.464 0.552 19522 7909 1 12 . 1 1 156 156 GLU N N 156 119.114 119.114 118.281 0.833 19522 7910 1 12 . 1 1 156 156 GLU C C 156 178.036 178.036 179.082 -1.046 19522 7911 1 12 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.074 3.204 19522 7912 1 12 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.897 -1.445 19522 7913 1 12 . 1 1 156 156 GLU H H 156 8.025 8.025 7.951 0.074 19522 7914 1 12 . 1 1 157 157 SER N N 157 113.391 113.391 116.481 -3.090 19522 7915 1 12 . 1 1 157 157 SER C C 157 175.299 175.299 176.080 -0.781 19522 7916 1 12 . 1 1 157 157 SER CA C 157 62.373 62.373 62.185 0.188 19522 7917 1 12 . 1 1 157 157 SER CB C 157 60.854 60.854 63.348 -2.494 19522 7918 1 12 . 1 1 157 157 SER H H 157 7.629 7.629 7.847 -0.218 19522 7919 1 12 . 1 1 158 158 VAL N N 158 120.493 120.493 121.323 -0.830 19522 7920 1 12 . 1 1 158 158 VAL C C 158 173.977 173.977 177.471 -3.494 19522 7921 1 12 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.447 1.282 19522 7922 1 12 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.966 -1.357 19522 7923 1 12 . 1 1 158 158 VAL H H 158 7.374 7.374 7.559 -0.185 19522 7924 1 12 . 1 1 159 159 ASP N N 159 123.215 123.215 121.535 1.680 19522 7925 1 12 . 1 1 159 159 ASP C C 159 177.696 177.696 177.471 0.225 19522 7926 1 12 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.546 0.073 19522 7927 1 12 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.944 -1.026 19522 7928 1 12 . 1 1 159 159 ASP H H 159 8.309 8.309 8.443 -0.134 19522 7929 1 12 . 1 1 160 160 LYS N N 160 115.648 115.648 118.183 -2.535 19522 7930 1 12 . 1 1 160 160 LYS C C 160 174.839 174.839 175.446 -0.607 19522 7931 1 12 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.593 -0.492 19522 7932 1 12 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.961 -2.473 19522 7933 1 12 . 1 1 160 160 LYS H H 160 7.541 7.541 7.428 0.113 19522 7934 1 12 . 1 1 161 161 GLU N N 161 113.911 113.911 118.697 -4.786 19522 7935 1 12 . 1 1 161 161 GLU C C 161 175.781 175.781 176.515 -0.734 19522 7936 1 12 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.148 -1.369 19522 7937 1 12 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.062 -3.008 19522 7938 1 12 . 1 1 161 161 GLU H H 161 7.842 7.842 7.907 -0.065 19522 7939 1 12 . 1 1 162 162 MET N N 162 118.882 118.882 116.587 2.295 19522 7940 1 12 . 1 1 162 162 MET C C 162 176.597 176.597 177.112 -0.515 19522 7941 1 12 . 1 1 162 162 MET CA C 162 52.646 52.646 57.055 -4.409 19522 7942 1 12 . 1 1 162 162 MET CB C 162 30.488 30.488 33.871 -3.383 19522 7943 1 12 . 1 1 162 162 MET H H 162 8.420 8.420 8.602 -0.182 19522 7944 1 12 . 1 1 163 163 GLN N N 163 119.366 119.366 116.823 2.543 19522 7945 1 12 . 1 1 163 163 GLN C C 163 177.397 177.397 177.695 -0.298 19522 7946 1 12 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.396 0.780 19522 7947 1 12 . 1 1 163 163 GLN CB C 163 26.093 26.093 26.595 -0.502 19522 7948 1 12 . 1 1 163 163 GLN H H 163 8.615 8.615 8.181 0.434 19522 7949 1 12 . 1 1 164 164 VAL N N 164 116.957 116.957 121.134 -4.177 19522 7950 1 12 . 1 1 164 164 VAL C C 164 175.459 175.459 177.245 -1.786 19522 7951 1 12 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.359 -2.507 19522 7952 1 12 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.409 -1.320 19522 7953 1 12 . 1 1 164 164 VAL H H 164 7.938 7.938 8.028 -0.090 19522 7954 1 12 . 1 1 165 165 LEU N N 165 117.124 117.124 119.832 -2.708 19522 7955 1 12 . 1 1 165 165 LEU C C 165 177.714 177.714 178.310 -0.596 19522 7956 1 12 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.131 -2.448 19522 7957 1 12 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.872 -2.194 19522 7958 1 12 . 1 1 165 165 LEU H H 165 7.741 7.741 7.648 0.093 19522 7959 1 12 . 1 1 166 166 VAL N N 166 119.434 119.434 117.634 1.800 19522 7960 1 12 . 1 1 166 166 VAL C C 166 176.817 176.817 178.072 -1.255 19522 7961 1 12 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.288 1.560 19522 7962 1 12 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.168 -1.798 19522 7963 1 12 . 1 1 166 166 VAL H H 166 7.342 7.342 8.340 -0.998 19522 7964 1 12 . 1 1 167 167 SER N N 167 110.775 110.775 116.370 -5.595 19522 7965 1 12 . 1 1 167 167 SER C C 167 176.737 176.737 175.838 0.899 19522 7966 1 12 . 1 1 167 167 SER CA C 167 60.215 60.215 61.550 -1.335 19522 7967 1 12 . 1 1 167 167 SER CB C 167 61.654 61.654 62.798 -1.144 19522 7968 1 12 . 1 1 167 167 SER H H 167 8.099 8.099 8.338 -0.239 19522 7969 1 12 . 1 1 168 168 ARG N N 168 122.916 122.916 119.524 3.392 19522 7970 1 12 . 1 1 168 168 ARG C C 168 175.439 175.439 177.242 -1.803 19522 7971 1 12 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.772 3.843 19522 7972 1 12 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.514 -2.503 19522 7973 1 12 . 1 1 168 168 ARG H H 168 6.596 6.596 7.364 -0.768 19522 7974 1 12 . 1 1 169 169 ILE N N 169 118.335 118.335 121.073 -2.738 19522 7975 1 12 . 1 1 169 169 ILE C C 169 177.779 177.779 177.654 0.125 19522 7976 1 12 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.785 -1.654 19522 7977 1 12 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.681 -0.720 19522 7978 1 12 . 1 1 169 169 ILE H H 169 7.928 7.928 7.971 -0.043 19522 7979 1 12 . 1 1 170 170 ALA N N 170 119.271 119.271 121.133 -1.862 19522 7980 1 12 . 1 1 170 170 ALA C C 170 179.195 179.195 179.112 0.083 19522 7981 1 12 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.474 -1.572 19522 7982 1 12 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.884 -1.060 19522 7983 1 12 . 1 1 170 170 ALA H H 170 7.672 7.672 7.990 -0.318 19522 7984 1 12 . 1 1 171 171 ALA N N 171 120.393 120.393 122.072 -1.679 19522 7985 1 12 . 1 1 171 171 ALA C C 171 180.833 180.833 179.627 1.206 19522 7986 1 12 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.471 -0.329 19522 7987 1 12 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.806 -1.302 19522 7988 1 12 . 1 1 171 171 ALA H H 171 7.258 7.258 7.516 -0.258 19522 7989 1 12 . 1 1 172 172 TRP N N 172 121.501 121.501 118.328 3.173 19522 7990 1 12 . 1 1 172 172 TRP C C 172 179.350 179.350 178.545 0.805 19522 7991 1 12 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.907 -1.888 19522 7992 1 12 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.696 -1.404 19522 7993 1 12 . 1 1 172 172 TRP H H 172 8.936 8.936 7.764 1.172 19522 7994 1 12 . 1 1 173 173 MET N N 173 117.211 117.211 119.459 -2.248 19522 7995 1 12 . 1 1 173 173 MET C C 173 176.158 176.158 178.207 -2.049 19522 7996 1 12 . 1 1 173 173 MET CA C 173 60.238 60.238 59.243 0.995 19522 7997 1 12 . 1 1 173 173 MET CB C 173 28.833 28.833 32.908 -4.075 19522 7998 1 12 . 1 1 173 173 MET H H 173 8.885 8.885 8.639 0.246 19522 7999 1 12 . 1 1 174 174 ALA N N 174 120.901 120.901 120.903 -0.002 19522 8000 1 12 . 1 1 174 174 ALA C C 174 178.875 178.875 179.512 -0.637 19522 8001 1 12 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.634 -0.773 19522 8002 1 12 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.031 -1.344 19522 8003 1 12 . 1 1 174 174 ALA H H 174 8.206 8.206 8.285 -0.079 19522 8004 1 12 . 1 1 175 175 THR N N 175 116.591 116.591 116.685 -0.094 19522 8005 1 12 . 1 1 175 175 THR C C 175 174.782 174.782 176.793 -2.011 19522 8006 1 12 . 1 1 175 175 THR CA C 175 66.209 66.209 66.733 -0.524 19522 8007 1 12 . 1 1 175 175 THR CB C 175 68.046 68.046 68.636 -0.591 19522 8008 1 12 . 1 1 175 175 THR H H 175 8.530 8.530 7.695 0.835 19522 8009 1 12 . 1 1 176 176 TYR N N 176 123.375 123.375 123.230 0.145 19522 8010 1 12 . 1 1 176 176 TYR C C 176 179.255 179.255 177.322 1.933 19522 8011 1 12 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.656 0.717 19522 8012 1 12 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.792 -0.929 19522 8013 1 12 . 1 1 176 176 TYR H H 176 8.822 8.822 8.316 0.506 19522 8014 1 12 . 1 1 177 177 LEU N N 177 119.511 119.511 121.181 -1.670 19522 8015 1 12 . 1 1 177 177 LEU C C 177 177.979 177.979 178.327 -0.348 19522 8016 1 12 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.465 -0.008 19522 8017 1 12 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.947 -0.671 19522 8018 1 12 . 1 1 177 177 LEU H H 177 8.759 8.759 8.761 -0.002 19522 8019 1 12 . 1 1 178 178 ASN N N 178 117.233 117.233 116.543 0.690 19522 8020 1 12 . 1 1 178 178 ASN C C 178 176.021 176.021 176.699 -0.678 19522 8021 1 12 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.937 -0.094 19522 8022 1 12 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.550 -0.447 19522 8023 1 12 . 1 1 178 178 ASN H H 178 8.333 8.333 7.923 0.410 19522 8024 1 12 . 1 1 179 179 ASP N N 179 115.264 115.264 119.168 -3.904 19522 8025 1 12 . 1 1 179 179 ASP C C 179 177.557 177.557 176.786 0.771 19522 8026 1 12 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.896 -0.996 19522 8027 1 12 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.356 -2.077 19522 8028 1 12 . 1 1 179 179 ASP H H 179 8.451 8.451 7.897 0.554 19522 8029 1 12 . 1 1 180 180 HIS N N 180 111.728 111.728 116.811 -5.083 19522 8030 1 12 . 1 1 180 180 HIS C C 180 175.479 175.479 177.195 -1.716 19522 8031 1 12 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.854 -1.433 19522 8032 1 12 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.624 -3.015 19522 8033 1 12 . 1 1 180 180 HIS H H 180 8.073 8.073 7.719 0.354 19522 8034 1 12 . 1 1 181 181 LEU N N 181 116.833 116.833 121.801 -4.968 19522 8035 1 12 . 1 1 181 181 LEU C C 181 176.160 176.160 178.673 -2.513 19522 8036 1 12 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.926 -3.905 19522 8037 1 12 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.952 -0.196 19522 8038 1 12 . 1 1 181 181 LEU H H 181 7.183 7.183 7.823 -0.640 19522 8039 1 12 . 1 1 182 182 GLU N N 182 121.364 121.364 118.476 2.888 19522 8040 1 12 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.716 -0.702 19522 8041 1 12 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.647 -1.691 19522 8042 1 12 . 1 1 182 182 GLU H H 182 8.596 8.596 8.836 -0.240 19522 8043 1 12 . 1 1 184 184 TRP N N 184 117.804 117.804 120.770 -2.966 19522 8044 1 12 . 1 1 184 184 TRP C C 184 179.217 179.217 178.127 1.090 19522 8045 1 12 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.872 5.800 19522 8046 1 12 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.650 -0.577 19522 8047 1 12 . 1 1 184 184 TRP H H 184 7.070 7.070 7.914 -0.844 19522 8048 1 12 . 1 1 185 185 ILE N N 185 121.825 121.825 119.547 2.278 19522 8049 1 12 . 1 1 185 185 ILE C C 185 178.655 178.655 178.562 0.093 19522 8050 1 12 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.278 -0.006 19522 8051 1 12 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.822 -1.877 19522 8052 1 12 . 1 1 185 185 ILE H H 185 8.396 8.396 8.522 -0.126 19522 8053 1 12 . 1 1 186 186 GLN N N 186 116.489 116.489 117.729 -1.240 19522 8054 1 12 . 1 1 186 186 GLN C C 186 179.035 179.035 177.680 1.355 19522 8055 1 12 . 1 1 186 186 GLN CA C 186 57.818 57.818 58.434 -0.616 19522 8056 1 12 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.334 -1.521 19522 8057 1 12 . 1 1 186 186 GLN H H 186 8.374 8.374 8.030 0.344 19522 8058 1 12 . 1 1 187 187 GLU N N 187 118.764 118.764 118.887 -0.123 19522 8059 1 12 . 1 1 187 187 GLU C C 187 176.458 176.458 177.813 -1.355 19522 8060 1 12 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.035 -0.016 19522 8061 1 12 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.350 -1.939 19522 8062 1 12 . 1 1 187 187 GLU H H 187 7.515 7.515 7.801 -0.286 19522 8063 1 12 . 1 1 188 188 ASN N N 188 116.561 116.561 116.401 0.160 19522 8064 1 12 . 1 1 188 188 ASN C C 188 173.620 173.620 174.536 -0.916 19522 8065 1 12 . 1 1 188 188 ASN CA C 188 52.863 52.863 52.958 -0.095 19522 8066 1 12 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.021 -2.300 19522 8067 1 12 . 1 1 188 188 ASN H H 188 7.092 7.092 7.819 -0.727 19522 8068 1 12 . 1 1 189 189 GLY N N 189 104.897 104.897 104.572 0.325 19522 8069 1 12 . 1 1 189 189 GLY C C 189 175.658 175.658 173.046 2.612 19522 8070 1 12 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.585 0.207 19522 8071 1 12 . 1 1 189 189 GLY H H 189 7.339 7.339 7.404 -0.065 19522 8072 1 12 . 1 1 190 190 GLY N N 190 108.292 108.292 109.712 -1.420 19522 8073 1 12 . 1 1 190 190 GLY C C 190 173.021 173.021 174.821 -1.800 19522 8074 1 12 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.184 -1.830 19522 8075 1 12 . 1 1 190 190 GLY H H 190 8.462 8.462 9.371 -0.909 19522 8076 1 12 . 1 1 191 191 TRP N N 191 118.031 118.031 121.502 -3.471 19522 8077 1 12 . 1 1 191 191 TRP C C 191 178.136 178.136 177.190 0.946 19522 8078 1 12 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.160 -0.744 19522 8079 1 12 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.061 -0.411 19522 8080 1 12 . 1 1 191 191 TRP H H 191 8.673 8.673 8.437 0.236 19522 8081 1 12 . 1 1 192 192 ASP N N 192 117.298 117.298 119.036 -1.738 19522 8082 1 12 . 1 1 192 192 ASP C C 192 179.058 179.058 177.768 1.290 19522 8083 1 12 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.375 0.484 19522 8084 1 12 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.447 -0.168 19522 8085 1 12 . 1 1 192 192 ASP H H 192 8.846 8.846 8.014 0.832 19522 8086 1 12 . 1 1 193 193 THR N N 193 116.061 116.061 114.801 1.260 19522 8087 1 12 . 1 1 193 193 THR C C 193 174.979 174.979 176.184 -1.205 19522 8088 1 12 . 1 1 193 193 THR CA C 193 65.649 65.649 64.749 0.900 19522 8089 1 12 . 1 1 193 193 THR CB C 193 67.327 67.327 68.347 -1.020 19522 8090 1 12 . 1 1 193 193 THR H H 193 7.431 7.431 7.276 0.155 19522 8091 1 12 . 1 1 194 194 PHE N N 194 121.789 121.789 122.825 -1.036 19522 8092 1 12 . 1 1 194 194 PHE C C 194 176.418 176.418 176.877 -0.459 19522 8093 1 12 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.881 0.133 19522 8094 1 12 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.309 -2.428 19522 8095 1 12 . 1 1 194 194 PHE H H 194 6.527 6.527 8.205 -1.678 19522 8096 1 12 . 1 1 195 195 VAL N N 195 116.988 116.988 118.065 -1.077 19522 8097 1 12 . 1 1 195 195 VAL C C 195 178.078 178.078 178.143 -0.065 19522 8098 1 12 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.492 -0.740 19522 8099 1 12 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.680 -0.192 19522 8100 1 12 . 1 1 195 195 VAL H H 195 7.747 7.747 8.291 -0.544 19522 8101 1 12 . 1 1 196 196 GLU N N 196 120.171 120.171 119.643 0.528 19522 8102 1 12 . 1 1 196 196 GLU C C 196 177.976 177.976 178.593 -0.617 19522 8103 1 12 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.141 -0.821 19522 8104 1 12 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.208 -0.535 19522 8105 1 12 . 1 1 196 196 GLU H H 196 7.497 7.497 7.623 -0.126 19522 8106 1 12 . 1 1 197 197 LEU N N 197 117.210 117.210 114.318 2.892 19522 8107 1 12 . 1 1 197 197 LEU C C 197 178.376 178.376 176.932 1.444 19522 8108 1 12 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.796 0.104 19522 8109 1 12 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.484 0.911 19522 8110 1 12 . 1 1 197 197 LEU H H 197 7.626 7.626 7.490 0.136 19522 8111 1 12 . 1 1 198 198 TYR N N 198 115.681 115.681 120.380 -4.699 19522 8112 1 12 . 1 1 198 198 TYR C C 198 176.577 176.577 176.850 -0.273 19522 8113 1 12 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.395 -1.018 19522 8114 1 12 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.788 -2.267 19522 8115 1 12 . 1 1 198 198 TYR H H 198 8.081 8.081 7.324 0.757 19522 8116 1 12 . 1 1 199 199 GLY N N 199 108.201 108.201 107.403 0.798 19522 8117 1 12 . 1 1 199 199 GLY C C 199 173.640 173.640 175.254 -1.614 19522 8118 1 12 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.674 -1.121 19522 8119 1 12 . 1 1 199 199 GLY H H 199 8.032 8.032 8.183 -0.151 19522 8120 1 12 . 1 1 200 200 ASN N N 200 118.385 118.385 118.219 0.166 19522 8121 1 12 . 1 1 200 200 ASN C C 200 175.081 175.081 173.788 1.293 19522 8122 1 12 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.696 0.088 19522 8123 1 12 . 1 1 200 200 ASN CB C 200 37.441 37.441 38.893 -1.452 19522 8124 1 12 . 1 1 200 200 ASN H H 200 8.300 8.300 8.051 0.249 19522 8125 1 13 . 1 1 5 5 SER N N 5 116.171 116.171 120.430 -4.259 19522 8126 1 13 . 1 1 5 5 SER C C 5 174.320 174.320 174.760 -0.440 19522 8127 1 13 . 1 1 5 5 SER CA C 5 57.898 57.898 58.857 -0.959 19522 8128 1 13 . 1 1 5 5 SER CB C 5 62.533 62.533 63.602 -1.069 19522 8129 1 13 . 1 1 5 5 SER H H 5 8.224 8.224 8.688 -0.464 19522 8130 1 13 . 1 1 6 6 GLN N N 6 122.369 122.369 118.042 4.327 19522 8131 1 13 . 1 1 6 6 GLN C C 6 176.418 176.418 176.162 0.256 19522 8132 1 13 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.079 -0.179 19522 8133 1 13 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.385 1.425 19522 8134 1 13 . 1 1 6 6 GLN H H 6 8.337 8.337 8.717 -0.380 19522 8135 1 13 . 1 1 7 7 SER N N 7 116.584 116.584 114.803 1.781 19522 8136 1 13 . 1 1 7 7 SER C C 7 175.859 175.859 176.259 -0.400 19522 8137 1 13 . 1 1 7 7 SER CA C 7 56.260 56.260 60.772 -4.512 19522 8138 1 13 . 1 1 7 7 SER CB C 7 61.916 61.916 62.839 -0.923 19522 8139 1 13 . 1 1 7 7 SER H H 7 8.221 8.221 8.864 -0.643 19522 8140 1 13 . 1 1 8 8 ASN N N 8 119.373 119.373 121.225 -1.852 19522 8141 1 13 . 1 1 8 8 ASN C C 8 177.259 177.259 177.073 0.186 19522 8142 1 13 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.172 -2.965 19522 8143 1 13 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.225 -1.561 19522 8144 1 13 . 1 1 8 8 ASN H H 8 8.375 8.375 7.960 0.415 19522 8145 1 13 . 1 1 9 9 ARG N N 9 119.039 119.039 121.520 -2.481 19522 8146 1 13 . 1 1 9 9 ARG C C 9 176.977 176.977 178.379 -1.402 19522 8147 1 13 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.737 -1.731 19522 8148 1 13 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.320 0.990 19522 8149 1 13 . 1 1 9 9 ARG H H 9 7.815 7.815 8.330 -0.515 19522 8150 1 13 . 1 1 10 10 GLU N N 10 117.158 117.158 119.744 -2.586 19522 8151 1 13 . 1 1 10 10 GLU C C 10 179.475 179.475 179.332 0.143 19522 8152 1 13 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.410 -3.913 19522 8153 1 13 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.108 -0.115 19522 8154 1 13 . 1 1 10 10 GLU H H 10 7.949 7.949 8.220 -0.271 19522 8155 1 13 . 1 1 11 11 LEU N N 11 119.880 119.880 120.286 -0.406 19522 8156 1 13 . 1 1 11 11 LEU C C 11 178.096 178.096 178.964 -0.868 19522 8157 1 13 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.842 -0.641 19522 8158 1 13 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.392 -1.474 19522 8159 1 13 . 1 1 11 11 LEU H H 11 7.807 7.807 7.686 0.121 19522 8160 1 13 . 1 1 12 12 VAL N N 12 117.702 117.702 120.144 -2.442 19522 8161 1 13 . 1 1 12 12 VAL C C 12 176.377 176.377 178.491 -2.114 19522 8162 1 13 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.281 -0.193 19522 8163 1 13 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.204 -0.236 19522 8164 1 13 . 1 1 12 12 VAL H H 12 7.690 7.690 8.241 -0.551 19522 8165 1 13 . 1 1 13 13 VAL N N 13 116.258 116.258 115.535 0.723 19522 8166 1 13 . 1 1 13 13 VAL C C 13 178.416 178.416 177.188 1.228 19522 8167 1 13 . 1 1 13 13 VAL CA C 13 65.912 65.912 66.094 -0.182 19522 8168 1 13 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.632 -2.039 19522 8169 1 13 . 1 1 13 13 VAL H H 13 8.225 8.225 8.385 -0.160 19522 8170 1 13 . 1 1 14 14 ASP N N 14 120.362 120.362 122.546 -2.184 19522 8171 1 13 . 1 1 14 14 ASP C C 14 177.040 177.040 177.834 -0.794 19522 8172 1 13 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.932 0.046 19522 8173 1 13 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.136 1.122 19522 8174 1 13 . 1 1 14 14 ASP H H 14 7.967 7.967 7.838 0.129 19522 8175 1 13 . 1 1 15 15 PHE N N 15 119.747 119.747 121.170 -1.423 19522 8176 1 13 . 1 1 15 15 PHE C C 15 177.876 177.876 177.570 0.306 19522 8177 1 13 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.322 1.153 19522 8178 1 13 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.219 -0.637 19522 8179 1 13 . 1 1 15 15 PHE H H 15 8.308 8.308 8.466 -0.158 19522 8180 1 13 . 1 1 16 16 LEU N N 16 116.203 116.203 119.937 -3.734 19522 8181 1 13 . 1 1 16 16 LEU C C 16 175.618 175.618 178.412 -2.794 19522 8182 1 13 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.387 -0.809 19522 8183 1 13 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.800 -1.460 19522 8184 1 13 . 1 1 16 16 LEU H H 16 8.718 8.718 8.278 0.440 19522 8185 1 13 . 1 1 17 17 SER N N 17 113.607 113.607 115.407 -1.800 19522 8186 1 13 . 1 1 17 17 SER C C 17 176.980 176.980 176.472 0.508 19522 8187 1 13 . 1 1 17 17 SER CA C 17 62.150 62.150 62.322 -0.172 19522 8188 1 13 . 1 1 17 17 SER CB C 17 60.854 60.854 62.792 -1.938 19522 8189 1 13 . 1 1 17 17 SER H H 17 8.338 8.338 8.279 0.059 19522 8190 1 13 . 1 1 18 18 TYR N N 18 124.591 124.591 122.723 1.868 19522 8191 1 13 . 1 1 18 18 TYR C C 18 177.996 177.996 176.936 1.060 19522 8192 1 13 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.835 -1.556 19522 8193 1 13 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.402 -2.057 19522 8194 1 13 . 1 1 18 18 TYR H H 18 8.228 8.228 8.205 0.023 19522 8195 1 13 . 1 1 19 19 LYS N N 19 119.761 119.761 118.384 1.377 19522 8196 1 13 . 1 1 19 19 LYS C C 19 179.841 179.841 178.547 1.294 19522 8197 1 13 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.755 -1.672 19522 8198 1 13 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.431 -3.781 19522 8199 1 13 . 1 1 19 19 LYS H H 19 8.230 8.230 7.380 0.850 19522 8200 1 13 . 1 1 20 20 LEU N N 20 118.077 118.077 119.747 -1.670 19522 8201 1 13 . 1 1 20 20 LEU C C 20 179.654 179.654 177.460 2.194 19522 8202 1 13 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.902 1.076 19522 8203 1 13 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.751 -2.313 19522 8204 1 13 . 1 1 20 20 LEU H H 20 8.534 8.534 8.184 0.350 19522 8205 1 13 . 1 1 21 21 SER N N 21 117.073 117.073 112.106 4.967 19522 8206 1 13 . 1 1 21 21 SER C C 21 178.204 178.204 174.396 3.808 19522 8207 1 13 . 1 1 21 21 SER CA C 21 60.375 60.375 58.501 1.874 19522 8208 1 13 . 1 1 21 21 SER CB C 21 61.836 61.836 62.328 -0.492 19522 8209 1 13 . 1 1 21 21 SER H H 21 8.239 8.239 7.484 0.755 19522 8210 1 13 . 1 1 22 22 GLN N N 22 122.767 122.767 121.231 1.536 19522 8211 1 13 . 1 1 22 22 GLN C C 22 176.997 176.997 175.749 1.248 19522 8212 1 13 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.311 0.267 19522 8213 1 13 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.372 -2.240 19522 8214 1 13 . 1 1 22 22 GLN H H 22 7.632 7.632 7.496 0.136 19522 8215 1 13 . 1 1 23 23 LYS N N 23 116.016 116.016 116.733 -0.717 19522 8216 1 13 . 1 1 23 23 LYS C C 23 175.419 175.419 175.059 0.360 19522 8217 1 13 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.080 -3.136 19522 8218 1 13 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.208 -3.160 19522 8219 1 13 . 1 1 23 23 LYS H H 23 7.167 7.167 8.126 -0.959 19522 8220 1 13 . 1 1 24 24 GLY N N 24 105.329 105.329 109.312 -3.983 19522 8221 1 13 . 1 1 24 24 GLY C C 24 173.680 173.680 172.849 0.831 19522 8222 1 13 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.154 -0.841 19522 8223 1 13 . 1 1 24 24 GLY H H 24 7.504 7.504 8.191 -0.687 19522 8224 1 13 . 1 1 25 25 TYR N N 25 119.528 119.528 116.836 2.692 19522 8225 1 13 . 1 1 25 25 TYR C C 25 174.779 174.779 174.791 -0.012 19522 8226 1 13 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.461 2.300 19522 8227 1 13 . 1 1 25 25 TYR CB C 25 39.301 39.301 37.383 1.918 19522 8228 1 13 . 1 1 25 25 TYR H H 25 7.817 7.817 7.492 0.325 19522 8229 1 13 . 1 1 26 26 SER N N 26 115.815 115.815 122.740 -6.925 19522 8230 1 13 . 1 1 26 26 SER C C 26 173.860 173.860 176.096 -2.236 19522 8231 1 13 . 1 1 26 26 SER CA C 26 56.083 56.083 58.454 -2.371 19522 8232 1 13 . 1 1 26 26 SER CB C 26 63.275 63.275 63.891 -0.616 19522 8233 1 13 . 1 1 26 26 SER H H 26 8.475 8.475 8.268 0.207 19522 8234 1 13 . 1 1 27 27 TRP N N 27 126.476 126.476 121.805 4.671 19522 8235 1 13 . 1 1 27 27 TRP C C 27 174.141 174.141 176.973 -2.832 19522 8236 1 13 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.493 -0.093 19522 8237 1 13 . 1 1 27 27 TRP CB C 27 29.210 29.210 28.987 0.223 19522 8238 1 13 . 1 1 27 27 TRP H H 27 8.720 8.720 8.527 0.193 19522 8239 1 13 . 1 1 28 28 SER N N 28 114.011 114.011 114.748 -0.737 19522 8240 1 13 . 1 1 28 28 SER C C 28 172.859 172.859 175.555 -2.696 19522 8241 1 13 . 1 1 28 28 SER CA C 28 66.186 66.186 60.193 5.993 19522 8242 1 13 . 1 1 28 28 SER CB C 28 61.996 61.996 61.971 0.025 19522 8243 1 13 . 1 1 28 28 SER H H 28 8.034 8.034 7.494 0.540 19522 8244 1 13 . 1 1 29 29 GLN N N 29 120.138 120.138 119.829 0.309 19522 8245 1 13 . 1 1 29 29 GLN C C 29 177.250 177.250 176.192 1.058 19522 8246 1 13 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.746 -2.576 19522 8247 1 13 . 1 1 29 29 GLN CB C 29 28.339 28.339 28.865 -0.526 19522 8248 1 13 . 1 1 29 29 GLN H H 29 7.323 7.323 7.531 -0.208 19522 8249 1 13 . 1 1 30 30 PHE N N 30 113.775 113.775 117.940 -4.165 19522 8250 1 13 . 1 1 30 30 PHE C C 30 176.814 176.814 176.700 0.114 19522 8251 1 13 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.643 -2.480 19522 8252 1 13 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.133 -2.293 19522 8253 1 13 . 1 1 30 30 PHE H H 30 6.778 6.778 7.757 -0.979 19522 8254 1 13 . 1 1 87 87 ALA N N 87 124.732 124.732 123.844 0.888 19522 8255 1 13 . 1 1 87 87 ALA C C 87 175.941 175.941 177.139 -1.198 19522 8256 1 13 . 1 1 87 87 ALA CA C 87 49.850 49.850 51.990 -2.140 19522 8257 1 13 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.411 -1.845 19522 8258 1 13 . 1 1 87 87 ALA H H 87 8.079 8.079 8.652 -0.573 19522 8259 1 13 . 1 1 88 88 ALA N N 88 121.664 121.664 120.966 0.698 19522 8260 1 13 . 1 1 88 88 ALA C C 88 177.523 177.523 178.069 -0.546 19522 8261 1 13 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.412 3.739 19522 8262 1 13 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.237 0.226 19522 8263 1 13 . 1 1 88 88 ALA H H 88 7.951 7.951 7.755 0.196 19522 8264 1 13 . 1 1 89 89 VAL N N 89 119.415 119.415 118.906 0.509 19522 8265 1 13 . 1 1 89 89 VAL C C 89 176.857 176.857 176.649 0.208 19522 8266 1 13 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.099 -4.263 19522 8267 1 13 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.409 -0.338 19522 8268 1 13 . 1 1 89 89 VAL H H 89 8.161 8.161 8.456 -0.295 19522 8269 1 13 . 1 1 90 90 LYS N N 90 121.221 121.221 118.444 2.777 19522 8270 1 13 . 1 1 90 90 LYS C C 90 175.559 175.559 178.483 -2.924 19522 8271 1 13 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.758 -3.675 19522 8272 1 13 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.787 -2.874 19522 8273 1 13 . 1 1 90 90 LYS H H 90 8.529 8.529 8.124 0.405 19522 8274 1 13 . 1 1 91 91 GLN N N 91 115.879 115.879 118.546 -2.667 19522 8275 1 13 . 1 1 91 91 GLN C C 91 176.950 176.950 178.017 -1.067 19522 8276 1 13 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.232 -0.311 19522 8277 1 13 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.130 -0.895 19522 8278 1 13 . 1 1 91 91 GLN H H 91 7.973 7.973 7.455 0.518 19522 8279 1 13 . 1 1 92 92 ALA N N 92 119.538 119.538 123.534 -3.996 19522 8280 1 13 . 1 1 92 92 ALA C C 92 179.537 179.537 179.753 -0.216 19522 8281 1 13 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.314 -1.069 19522 8282 1 13 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.222 -1.455 19522 8283 1 13 . 1 1 92 92 ALA H H 92 7.661 7.661 8.300 -0.639 19522 8284 1 13 . 1 1 93 93 LEU N N 93 120.236 120.236 118.092 2.144 19522 8285 1 13 . 1 1 93 93 LEU C C 93 179.075 179.075 179.138 -0.063 19522 8286 1 13 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.061 0.726 19522 8287 1 13 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.417 0.140 19522 8288 1 13 . 1 1 93 93 LEU H H 93 8.544 8.544 8.204 0.340 19522 8289 1 13 . 1 1 94 94 ARG N N 94 118.361 118.361 120.595 -2.234 19522 8290 1 13 . 1 1 94 94 ARG C C 94 178.396 178.396 178.514 -0.118 19522 8291 1 13 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.655 0.081 19522 8292 1 13 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.651 -1.560 19522 8293 1 13 . 1 1 94 94 ARG H H 94 8.057 8.057 7.807 0.250 19522 8294 1 13 . 1 1 95 95 GLU N N 95 115.851 115.851 119.335 -3.484 19522 8295 1 13 . 1 1 95 95 GLU C C 95 179.794 179.794 178.987 0.807 19522 8296 1 13 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.651 -1.434 19522 8297 1 13 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.268 -1.177 19522 8298 1 13 . 1 1 95 95 GLU H H 95 7.737 7.737 8.380 -0.643 19522 8299 1 13 . 1 1 96 96 ALA N N 96 122.958 122.958 121.037 1.921 19522 8300 1 13 . 1 1 96 96 ALA C C 96 181.313 181.313 180.152 1.161 19522 8301 1 13 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.199 -0.897 19522 8302 1 13 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.365 -0.662 19522 8303 1 13 . 1 1 96 96 ALA H H 96 8.824 8.824 7.700 1.124 19522 8304 1 13 . 1 1 97 97 GLY N N 97 108.363 108.363 107.332 1.031 19522 8305 1 13 . 1 1 97 97 GLY C C 97 178.177 178.177 176.375 1.802 19522 8306 1 13 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.461 -1.470 19522 8307 1 13 . 1 1 97 97 GLY H H 97 9.088 9.088 8.413 0.675 19522 8308 1 13 . 1 1 98 98 ASP N N 98 122.197 122.197 122.461 -0.264 19522 8309 1 13 . 1 1 98 98 ASP C C 98 178.715 178.715 178.956 -0.241 19522 8310 1 13 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.680 -0.661 19522 8311 1 13 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.811 -2.332 19522 8312 1 13 . 1 1 98 98 ASP H H 98 8.102 8.102 8.563 -0.461 19522 8313 1 13 . 1 1 99 99 GLU N N 99 120.103 120.103 119.593 0.510 19522 8314 1 13 . 1 1 99 99 GLU C C 99 179.513 179.513 179.270 0.243 19522 8315 1 13 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.391 -5.639 19522 8316 1 13 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.829 -1.338 19522 8317 1 13 . 1 1 99 99 GLU H H 99 8.115 8.115 8.084 0.031 19522 8318 1 13 . 1 1 100 100 PHE N N 100 120.218 120.218 118.906 1.312 19522 8319 1 13 . 1 1 100 100 PHE C C 100 178.618 178.618 177.698 0.920 19522 8320 1 13 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.276 -3.816 19522 8321 1 13 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.561 0.775 19522 8322 1 13 . 1 1 100 100 PHE H H 100 8.535 8.535 8.571 -0.036 19522 8323 1 13 . 1 1 101 101 GLU N N 101 117.531 117.531 121.312 -3.781 19522 8324 1 13 . 1 1 101 101 GLU C C 101 177.339 177.339 179.010 -1.671 19522 8325 1 13 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.172 -2.571 19522 8326 1 13 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.797 -1.204 19522 8327 1 13 . 1 1 101 101 GLU H H 101 8.032 8.032 8.461 -0.429 19522 8328 1 13 . 1 1 102 102 LEU N N 102 116.641 116.641 115.853 0.788 19522 8329 1 13 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.878 -1.290 19522 8330 1 13 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.627 -0.854 19522 8331 1 13 . 1 1 102 102 LEU H H 102 7.369 7.369 7.763 -0.394 19522 8332 1 13 . 1 1 103 103 ARG N N 103 115.854 115.854 119.107 -3.253 19522 8333 1 13 . 1 1 103 103 ARG C C 103 177.605 177.605 178.172 -0.567 19522 8334 1 13 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.515 0.472 19522 8335 1 13 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.168 -0.017 19522 8336 1 13 . 1 1 103 103 ARG H H 103 7.472 7.472 7.571 -0.099 19522 8337 1 13 . 1 1 104 104 TYR N N 104 119.078 119.078 119.705 -0.627 19522 8338 1 13 . 1 1 104 104 TYR C C 104 174.962 174.962 177.523 -2.561 19522 8339 1 13 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.425 -0.584 19522 8340 1 13 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.733 -2.105 19522 8341 1 13 . 1 1 104 104 TYR H H 104 7.904 7.904 8.053 -0.149 19522 8342 1 13 . 1 1 105 105 ARG N N 105 119.378 119.378 118.566 0.812 19522 8343 1 13 . 1 1 105 105 ARG C C 105 178.395 178.395 177.145 1.250 19522 8344 1 13 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.743 1.178 19522 8345 1 13 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.089 -1.295 19522 8346 1 13 . 1 1 105 105 ARG H H 105 7.195 7.195 8.616 -1.421 19522 8347 1 13 . 1 1 106 106 ARG N N 106 118.875 118.875 119.846 -0.971 19522 8348 1 13 . 1 1 106 106 ARG C C 106 177.257 177.257 176.239 1.018 19522 8349 1 13 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.792 1.123 19522 8350 1 13 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.145 -2.591 19522 8351 1 13 . 1 1 106 106 ARG H H 106 8.452 8.452 7.780 0.672 19522 8352 1 13 . 1 1 107 107 ALA N N 107 121.864 121.864 120.759 1.105 19522 8353 1 13 . 1 1 107 107 ALA C C 107 175.701 175.701 176.437 -0.736 19522 8354 1 13 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.725 0.919 19522 8355 1 13 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.155 -0.092 19522 8356 1 13 . 1 1 107 107 ALA H H 107 7.839 7.839 7.800 0.039 19522 8357 1 13 . 1 1 108 108 PHE N N 108 121.984 121.984 117.219 4.765 19522 8358 1 13 . 1 1 108 108 PHE C C 108 174.982 174.982 174.549 0.433 19522 8359 1 13 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.839 0.203 19522 8360 1 13 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.995 0.843 19522 8361 1 13 . 1 1 108 108 PHE H H 108 8.392 8.392 8.023 0.369 19522 8362 1 13 . 1 1 109 109 SER N N 109 114.585 114.585 117.514 -2.929 19522 8363 1 13 . 1 1 109 109 SER C C 109 175.421 175.421 174.522 0.899 19522 8364 1 13 . 1 1 109 109 SER CA C 109 55.044 55.044 56.971 -1.927 19522 8365 1 13 . 1 1 109 109 SER CB C 109 63.241 63.241 65.032 -1.791 19522 8366 1 13 . 1 1 109 109 SER H H 109 7.810 7.810 7.711 0.099 19522 8367 1 13 . 1 1 110 110 ASP N N 110 119.725 119.725 122.250 -2.525 19522 8368 1 13 . 1 1 110 110 ASP C C 110 178.196 178.196 178.382 -0.186 19522 8369 1 13 . 1 1 110 110 ASP CA C 110 55.980 55.980 56.676 -0.696 19522 8370 1 13 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.390 -2.550 19522 8371 1 13 . 1 1 110 110 ASP H H 110 8.380 8.380 8.507 -0.127 19522 8372 1 13 . 1 1 111 111 LEU N N 111 120.827 120.827 119.912 0.915 19522 8373 1 13 . 1 1 111 111 LEU C C 111 178.804 178.804 178.330 0.474 19522 8374 1 13 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.547 -1.448 19522 8375 1 13 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.525 -0.728 19522 8376 1 13 . 1 1 111 111 LEU H H 111 7.783 7.783 8.173 -0.390 19522 8377 1 13 . 1 1 112 112 THR N N 112 109.101 109.101 112.771 -3.670 19522 8378 1 13 . 1 1 112 112 THR C C 112 177.157 177.157 177.404 -0.247 19522 8379 1 13 . 1 1 112 112 THR CA C 112 64.690 64.690 66.056 -1.366 19522 8380 1 13 . 1 1 112 112 THR CB C 112 67.407 67.407 68.180 -0.773 19522 8381 1 13 . 1 1 112 112 THR H H 112 8.331 8.331 7.883 0.448 19522 8382 1 13 . 1 1 113 113 SER N N 113 115.811 115.811 118.485 -2.674 19522 8383 1 13 . 1 1 113 113 SER C C 113 175.319 175.319 176.718 -1.399 19522 8384 1 13 . 1 1 113 113 SER CA C 113 59.736 59.736 61.636 -1.900 19522 8385 1 13 . 1 1 113 113 SER CB C 113 62.213 62.213 62.847 -0.634 19522 8386 1 13 . 1 1 113 113 SER H H 113 7.645 7.645 7.666 -0.021 19522 8387 1 13 . 1 1 114 114 GLN N N 114 118.421 118.421 123.024 -4.603 19522 8388 1 13 . 1 1 114 114 GLN C C 114 175.978 175.978 178.052 -2.074 19522 8389 1 13 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.533 -2.074 19522 8390 1 13 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.504 -0.493 19522 8391 1 13 . 1 1 114 114 GLN H H 114 7.614 7.614 8.204 -0.590 19522 8392 1 13 . 1 1 115 115 LEU N N 115 118.236 118.236 118.197 0.039 19522 8393 1 13 . 1 1 115 115 LEU C C 115 176.198 176.198 177.468 -1.270 19522 8394 1 13 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.141 -1.337 19522 8395 1 13 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.705 -0.149 19522 8396 1 13 . 1 1 115 115 LEU H H 115 7.383 7.383 8.225 -0.842 19522 8397 1 13 . 1 1 116 116 HIS N N 116 119.694 119.694 116.022 3.672 19522 8398 1 13 . 1 1 116 116 HIS C C 116 174.122 174.122 174.331 -0.209 19522 8399 1 13 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.559 -1.180 19522 8400 1 13 . 1 1 116 116 HIS CB C 116 28.251 28.251 28.949 -0.698 19522 8401 1 13 . 1 1 116 116 HIS H H 116 8.158 8.158 8.011 0.147 19522 8402 1 13 . 1 1 117 117 ILE N N 117 122.347 122.347 113.666 8.681 19522 8403 1 13 . 1 1 117 117 ILE C C 117 176.377 176.377 175.402 0.975 19522 8404 1 13 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.971 -1.254 19522 8405 1 13 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.682 1.542 19522 8406 1 13 . 1 1 117 117 ILE H H 117 8.658 8.658 8.112 0.546 19522 8407 1 13 . 1 1 118 118 THR N N 118 115.798 115.798 119.603 -3.805 19522 8408 1 13 . 1 1 118 118 THR CA C 118 57.921 57.921 59.984 -2.063 19522 8409 1 13 . 1 1 118 118 THR CB C 118 63.434 63.434 68.733 -5.299 19522 8410 1 13 . 1 1 118 118 THR H H 118 8.227 8.227 8.141 0.086 19522 8411 1 13 . 1 1 120 120 GLY N N 120 109.574 109.574 108.438 1.136 19522 8412 1 13 . 1 1 120 120 GLY C C 120 180.495 180.495 173.781 6.714 19522 8413 1 13 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.832 -1.439 19522 8414 1 13 . 1 1 120 120 GLY H H 120 8.429 8.429 8.214 0.215 19522 8415 1 13 . 1 1 121 121 THR N N 121 113.419 113.419 112.992 0.427 19522 8416 1 13 . 1 1 121 121 THR C C 121 178.096 178.096 175.221 2.875 19522 8417 1 13 . 1 1 121 121 THR CA C 121 62.041 62.041 63.085 -1.044 19522 8418 1 13 . 1 1 121 121 THR CB C 121 63.994 63.994 67.843 -3.849 19522 8419 1 13 . 1 1 121 121 THR H H 121 7.774 7.774 8.323 -0.549 19522 8420 1 13 . 1 1 122 122 ALA N N 122 121.876 121.876 123.610 -1.734 19522 8421 1 13 . 1 1 122 122 ALA C C 122 177.397 177.397 177.144 0.253 19522 8422 1 13 . 1 1 122 122 ALA CA C 122 52.624 52.624 52.762 -0.138 19522 8423 1 13 . 1 1 122 122 ALA CB C 122 18.525 18.525 19.837 -1.312 19522 8424 1 13 . 1 1 122 122 ALA H H 122 7.944 7.944 7.995 -0.051 19522 8425 1 13 . 1 1 123 123 TYR N N 123 120.931 120.931 113.326 7.605 19522 8426 1 13 . 1 1 123 123 TYR C C 123 176.060 176.060 176.794 -0.734 19522 8427 1 13 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.803 1.252 19522 8428 1 13 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.181 -1.699 19522 8429 1 13 . 1 1 123 123 TYR H H 123 8.748 8.748 7.906 0.842 19522 8430 1 13 . 1 1 124 124 GLN N N 124 115.002 115.002 121.438 -6.436 19522 8431 1 13 . 1 1 124 124 GLN C C 124 178.098 178.098 178.206 -0.108 19522 8432 1 13 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.979 -0.339 19522 8433 1 13 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.364 -1.848 19522 8434 1 13 . 1 1 124 124 GLN H H 124 8.454 8.454 7.618 0.836 19522 8435 1 13 . 1 1 125 125 SER N N 125 114.135 114.135 116.102 -1.967 19522 8436 1 13 . 1 1 125 125 SER C C 125 179.557 179.557 176.186 3.371 19522 8437 1 13 . 1 1 125 125 SER CA C 125 61.357 61.357 61.261 0.096 19522 8438 1 13 . 1 1 125 125 SER CB C 125 61.357 61.357 62.895 -1.538 19522 8439 1 13 . 1 1 125 125 SER H H 125 7.283 7.283 7.834 -0.551 19522 8440 1 13 . 1 1 126 126 PHE N N 126 113.327 113.327 123.872 -10.545 19522 8441 1 13 . 1 1 126 126 PHE C C 126 174.879 174.879 176.884 -2.005 19522 8442 1 13 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.412 0.705 19522 8443 1 13 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.347 -1.644 19522 8444 1 13 . 1 1 126 126 PHE H H 126 6.606 6.606 7.497 -0.891 19522 8445 1 13 . 1 1 127 127 GLU N N 127 119.398 119.398 119.355 0.043 19522 8446 1 13 . 1 1 127 127 GLU C C 127 176.857 176.857 178.438 -1.581 19522 8447 1 13 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.774 -1.716 19522 8448 1 13 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.390 -0.500 19522 8449 1 13 . 1 1 127 127 GLU H H 127 8.546 8.546 7.867 0.679 19522 8450 1 13 . 1 1 128 128 GLN N N 128 114.754 114.754 118.794 -4.040 19522 8451 1 13 . 1 1 128 128 GLN C C 128 178.356 178.356 178.565 -0.209 19522 8452 1 13 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.595 -0.515 19522 8453 1 13 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.444 -1.449 19522 8454 1 13 . 1 1 128 128 GLN H H 128 7.525 7.525 7.867 -0.342 19522 8455 1 13 . 1 1 129 129 VAL N N 129 118.194 118.194 119.340 -1.146 19522 8456 1 13 . 1 1 129 129 VAL C C 129 177.756 177.756 178.635 -0.879 19522 8457 1 13 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.187 -1.097 19522 8458 1 13 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.289 -1.040 19522 8459 1 13 . 1 1 129 129 VAL H H 129 7.036 7.036 7.726 -0.690 19522 8460 1 13 . 1 1 130 130 VAL N N 130 119.459 119.459 119.525 -0.066 19522 8461 1 13 . 1 1 130 130 VAL C C 130 177.714 177.714 178.120 -0.406 19522 8462 1 13 . 1 1 130 130 VAL CA C 130 65.409 65.409 65.965 -0.556 19522 8463 1 13 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.305 -0.833 19522 8464 1 13 . 1 1 130 130 VAL H H 130 7.831 7.831 8.156 -0.325 19522 8465 1 13 . 1 1 131 131 ASN N N 131 117.212 117.212 117.689 -0.477 19522 8466 1 13 . 1 1 131 131 ASN C C 131 178.775 178.775 177.129 1.646 19522 8467 1 13 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.581 -1.937 19522 8468 1 13 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.509 -2.244 19522 8469 1 13 . 1 1 131 131 ASN H H 131 8.374 8.374 8.588 -0.214 19522 8470 1 13 . 1 1 132 132 GLU N N 132 118.393 118.393 119.701 -1.308 19522 8471 1 13 . 1 1 132 132 GLU C C 132 179.097 179.097 178.127 0.970 19522 8472 1 13 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.707 -0.729 19522 8473 1 13 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.316 -1.944 19522 8474 1 13 . 1 1 132 132 GLU H H 132 7.226 7.226 7.505 -0.279 19522 8475 1 13 . 1 1 133 133 LEU N N 133 120.835 120.835 119.029 1.806 19522 8476 1 13 . 1 1 133 133 LEU C C 133 178.016 178.016 177.876 0.140 19522 8477 1 13 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.397 -0.595 19522 8478 1 13 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.739 -1.958 19522 8479 1 13 . 1 1 133 133 LEU H H 133 7.467 7.467 7.454 0.013 19522 8480 1 13 . 1 1 134 134 PHE N N 134 112.847 112.847 117.234 -4.387 19522 8481 1 13 . 1 1 134 134 PHE C C 134 176.258 176.258 177.050 -0.792 19522 8482 1 13 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.084 -3.545 19522 8483 1 13 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.405 -0.542 19522 8484 1 13 . 1 1 134 134 PHE H H 134 6.926 6.926 7.038 -0.112 19522 8485 1 13 . 1 1 135 135 ARG N N 135 123.664 123.664 117.409 6.255 19522 8486 1 13 . 1 1 135 135 ARG C C 135 176.957 176.957 176.005 0.952 19522 8487 1 13 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.623 1.314 19522 8488 1 13 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.193 -2.182 19522 8489 1 13 . 1 1 135 135 ARG H H 135 7.144 7.144 7.827 -0.683 19522 8490 1 13 . 1 1 136 136 ASP N N 136 116.448 116.448 116.420 0.028 19522 8491 1 13 . 1 1 136 136 ASP C C 136 175.339 175.339 176.617 -1.278 19522 8492 1 13 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.353 -1.010 19522 8493 1 13 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.536 -4.938 19522 8494 1 13 . 1 1 136 136 ASP H H 136 8.607 8.607 7.595 1.012 19522 8495 1 13 . 1 1 137 137 GLY N N 137 108.506 108.506 109.070 -0.564 19522 8496 1 13 . 1 1 137 137 GLY C C 137 172.324 172.324 173.656 -1.332 19522 8497 1 13 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.568 -1.773 19522 8498 1 13 . 1 1 137 137 GLY H H 137 7.468 7.468 8.283 -0.815 19522 8499 1 13 . 1 1 138 138 VAL N N 138 120.519 120.519 122.862 -2.343 19522 8500 1 13 . 1 1 138 138 VAL C C 138 174.160 174.160 174.987 -0.827 19522 8501 1 13 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.541 0.352 19522 8502 1 13 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.499 1.309 19522 8503 1 13 . 1 1 138 138 VAL H H 138 8.181 8.181 8.420 -0.239 19522 8504 1 13 . 1 1 139 139 ASN N N 139 115.573 115.573 121.559 -5.986 19522 8505 1 13 . 1 1 139 139 ASN C C 139 174.959 174.959 175.729 -0.770 19522 8506 1 13 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.434 -0.409 19522 8507 1 13 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.417 -1.778 19522 8508 1 13 . 1 1 139 139 ASN H H 139 6.261 6.261 7.804 -1.543 19522 8509 1 13 . 1 1 140 140 TRP N N 140 118.231 118.231 126.716 -8.485 19522 8510 1 13 . 1 1 140 140 TRP C C 140 177.976 177.976 177.574 0.402 19522 8511 1 13 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.222 0.913 19522 8512 1 13 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.231 -0.622 19522 8513 1 13 . 1 1 140 140 TRP H H 140 8.413 8.413 9.443 -1.030 19522 8514 1 13 . 1 1 141 141 GLY N N 141 106.238 106.238 105.648 0.590 19522 8515 1 13 . 1 1 141 141 GLY C C 141 177.297 177.297 175.465 1.832 19522 8516 1 13 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.880 0.591 19522 8517 1 13 . 1 1 141 141 GLY H H 141 8.494 8.494 9.068 -0.574 19522 8518 1 13 . 1 1 142 142 ARG N N 142 121.156 121.156 122.035 -0.879 19522 8519 1 13 . 1 1 142 142 ARG C C 142 177.457 177.457 177.935 -0.478 19522 8520 1 13 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.429 0.069 19522 8521 1 13 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.122 -0.513 19522 8522 1 13 . 1 1 142 142 ARG H H 142 8.104 8.104 7.452 0.652 19522 8523 1 13 . 1 1 143 143 ILE N N 143 120.888 120.888 120.047 0.841 19522 8524 1 13 . 1 1 143 143 ILE C C 143 177.756 177.756 177.057 0.699 19522 8525 1 13 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.107 1.782 19522 8526 1 13 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.813 -2.210 19522 8527 1 13 . 1 1 143 143 ILE H H 143 7.696 7.696 7.821 -0.125 19522 8528 1 13 . 1 1 144 144 VAL N N 144 120.958 120.958 118.939 2.019 19522 8529 1 13 . 1 1 144 144 VAL C C 144 177.557 177.557 177.595 -0.038 19522 8530 1 13 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.501 0.587 19522 8531 1 13 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.004 0.085 19522 8532 1 13 . 1 1 144 144 VAL H H 144 8.229 8.229 7.708 0.521 19522 8533 1 13 . 1 1 145 145 ALA N N 145 121.229 121.229 122.607 -1.378 19522 8534 1 13 . 1 1 145 145 ALA C C 145 177.999 177.999 179.104 -1.105 19522 8535 1 13 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.030 -0.968 19522 8536 1 13 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.284 -1.301 19522 8537 1 13 . 1 1 145 145 ALA H H 145 7.579 7.579 7.599 -0.020 19522 8538 1 13 . 1 1 146 146 PHE N N 146 119.338 119.338 120.049 -0.711 19522 8539 1 13 . 1 1 146 146 PHE C C 146 179.432 179.432 177.112 2.320 19522 8540 1 13 . 1 1 146 146 PHE CA C 146 61.169 61.169 62.100 -0.931 19522 8541 1 13 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.071 -1.208 19522 8542 1 13 . 1 1 146 146 PHE H H 146 7.985 7.985 8.074 -0.089 19522 8543 1 13 . 1 1 147 147 PHE N N 147 119.900 119.900 117.333 2.567 19522 8544 1 13 . 1 1 147 147 PHE C C 147 177.399 177.399 177.753 -0.354 19522 8545 1 13 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.222 -3.103 19522 8546 1 13 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.378 1.060 19522 8547 1 13 . 1 1 147 147 PHE H H 147 7.824 7.824 8.416 -0.592 19522 8548 1 13 . 1 1 148 148 SER N N 148 114.725 114.725 116.566 -1.841 19522 8549 1 13 . 1 1 148 148 SER C C 148 177.357 177.357 176.099 1.258 19522 8550 1 13 . 1 1 148 148 SER CA C 148 63.115 63.115 62.046 1.069 19522 8551 1 13 . 1 1 148 148 SER CB C 148 61.893 61.893 62.175 -0.282 19522 8552 1 13 . 1 1 148 148 SER H H 148 8.423 8.423 7.871 0.552 19522 8553 1 13 . 1 1 149 149 PHE N N 149 124.361 124.361 121.351 3.010 19522 8554 1 13 . 1 1 149 149 PHE C C 149 176.338 176.338 178.045 -1.707 19522 8555 1 13 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.736 -2.400 19522 8556 1 13 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.537 -1.256 19522 8557 1 13 . 1 1 149 149 PHE H H 149 9.097 9.097 8.344 0.753 19522 8558 1 13 . 1 1 150 150 GLY N N 150 105.935 105.935 105.867 0.068 19522 8559 1 13 . 1 1 150 150 GLY C C 150 176.398 176.398 176.149 0.249 19522 8560 1 13 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.738 0.292 19522 8561 1 13 . 1 1 150 150 GLY H H 150 7.937 7.937 7.966 -0.029 19522 8562 1 13 . 1 1 151 151 GLY N N 151 107.449 107.449 110.224 -2.775 19522 8563 1 13 . 1 1 151 151 GLY C C 151 174.300 174.300 175.919 -1.619 19522 8564 1 13 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.764 0.186 19522 8565 1 13 . 1 1 151 151 GLY H H 151 8.803 8.803 8.265 0.538 19522 8566 1 13 . 1 1 152 152 ALA N N 152 124.384 124.384 124.974 -0.590 19522 8567 1 13 . 1 1 152 152 ALA C C 152 177.636 177.636 179.326 -1.690 19522 8568 1 13 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.726 -0.584 19522 8569 1 13 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.380 -1.317 19522 8570 1 13 . 1 1 152 152 ALA H H 152 8.232 8.232 7.885 0.347 19522 8571 1 13 . 1 1 153 153 LEU N N 153 118.871 118.871 120.008 -1.137 19522 8572 1 13 . 1 1 153 153 LEU C C 153 179.937 179.937 178.699 1.238 19522 8573 1 13 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.748 -1.160 19522 8574 1 13 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.700 -1.040 19522 8575 1 13 . 1 1 153 153 LEU H H 153 8.159 8.159 7.868 0.291 19522 8576 1 13 . 1 1 154 154 CYS N N 154 118.554 118.554 118.789 -0.235 19522 8577 1 13 . 1 1 154 154 CYS C C 154 177.332 177.332 176.942 0.390 19522 8578 1 13 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.699 -2.403 19522 8579 1 13 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.015 -0.778 19522 8580 1 13 . 1 1 154 154 CYS H H 154 8.049 8.049 8.427 -0.378 19522 8581 1 13 . 1 1 155 155 VAL N N 155 118.474 118.474 122.024 -3.550 19522 8582 1 13 . 1 1 155 155 VAL C C 155 175.723 175.723 178.454 -2.731 19522 8583 1 13 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.996 -0.867 19522 8584 1 13 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.731 -0.003 19522 8585 1 13 . 1 1 155 155 VAL H H 155 8.016 8.016 7.461 0.555 19522 8586 1 13 . 1 1 156 156 GLU N N 156 119.114 119.114 118.429 0.685 19522 8587 1 13 . 1 1 156 156 GLU C C 156 178.036 178.036 179.048 -1.012 19522 8588 1 13 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.078 3.200 19522 8589 1 13 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.931 -1.479 19522 8590 1 13 . 1 1 156 156 GLU H H 156 8.025 8.025 7.925 0.100 19522 8591 1 13 . 1 1 157 157 SER N N 157 113.391 113.391 116.371 -2.980 19522 8592 1 13 . 1 1 157 157 SER C C 157 175.299 175.299 176.351 -1.052 19522 8593 1 13 . 1 1 157 157 SER CA C 157 62.373 62.373 62.126 0.247 19522 8594 1 13 . 1 1 157 157 SER CB C 157 60.854 60.854 63.280 -2.426 19522 8595 1 13 . 1 1 157 157 SER H H 157 7.629 7.629 7.857 -0.228 19522 8596 1 13 . 1 1 158 158 VAL N N 158 120.493 120.493 121.597 -1.104 19522 8597 1 13 . 1 1 158 158 VAL C C 158 173.977 173.977 177.390 -3.413 19522 8598 1 13 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.588 1.141 19522 8599 1 13 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.290 -1.681 19522 8600 1 13 . 1 1 158 158 VAL H H 158 7.374 7.374 7.564 -0.190 19522 8601 1 13 . 1 1 159 159 ASP N N 159 123.215 123.215 121.643 1.572 19522 8602 1 13 . 1 1 159 159 ASP C C 159 177.696 177.696 177.643 0.053 19522 8603 1 13 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.703 -0.084 19522 8604 1 13 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.965 -1.047 19522 8605 1 13 . 1 1 159 159 ASP H H 159 8.309 8.309 8.344 -0.035 19522 8606 1 13 . 1 1 160 160 LYS N N 160 115.648 115.648 118.175 -2.527 19522 8607 1 13 . 1 1 160 160 LYS C C 160 174.839 174.839 175.627 -0.788 19522 8608 1 13 . 1 1 160 160 LYS CA C 160 55.101 55.101 56.031 -0.929 19522 8609 1 13 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.996 -2.508 19522 8610 1 13 . 1 1 160 160 LYS H H 160 7.541 7.541 7.471 0.070 19522 8611 1 13 . 1 1 161 161 GLU N N 161 113.911 113.911 116.881 -2.970 19522 8612 1 13 . 1 1 161 161 GLU C C 161 175.781 175.781 176.630 -0.849 19522 8613 1 13 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.210 -1.431 19522 8614 1 13 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.776 -2.722 19522 8615 1 13 . 1 1 161 161 GLU H H 161 7.842 7.842 8.092 -0.250 19522 8616 1 13 . 1 1 162 162 MET N N 162 118.882 118.882 116.485 2.397 19522 8617 1 13 . 1 1 162 162 MET C C 162 176.597 176.597 177.543 -0.946 19522 8618 1 13 . 1 1 162 162 MET CA C 162 52.646 52.646 57.803 -5.157 19522 8619 1 13 . 1 1 162 162 MET CB C 162 30.488 30.488 33.738 -3.250 19522 8620 1 13 . 1 1 162 162 MET H H 162 8.420 8.420 8.078 0.342 19522 8621 1 13 . 1 1 163 163 GLN N N 163 119.366 119.366 117.341 2.025 19522 8622 1 13 . 1 1 163 163 GLN C C 163 177.397 177.397 176.949 0.448 19522 8623 1 13 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.718 0.458 19522 8624 1 13 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.389 -1.296 19522 8625 1 13 . 1 1 163 163 GLN H H 163 8.615 8.615 8.440 0.175 19522 8626 1 13 . 1 1 164 164 VAL N N 164 116.957 116.957 120.391 -3.434 19522 8627 1 13 . 1 1 164 164 VAL C C 164 175.459 175.459 177.466 -2.007 19522 8628 1 13 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.924 -3.072 19522 8629 1 13 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.362 -1.273 19522 8630 1 13 . 1 1 164 164 VAL H H 164 7.938 7.938 8.149 -0.211 19522 8631 1 13 . 1 1 165 165 LEU N N 165 117.124 117.124 119.516 -2.392 19522 8632 1 13 . 1 1 165 165 LEU C C 165 177.714 177.714 178.383 -0.669 19522 8633 1 13 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.135 -2.452 19522 8634 1 13 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.842 -2.164 19522 8635 1 13 . 1 1 165 165 LEU H H 165 7.741 7.741 7.781 -0.040 19522 8636 1 13 . 1 1 166 166 VAL N N 166 119.434 119.434 118.197 1.237 19522 8637 1 13 . 1 1 166 166 VAL C C 166 176.817 176.817 178.076 -1.259 19522 8638 1 13 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.531 1.317 19522 8639 1 13 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.074 -1.704 19522 8640 1 13 . 1 1 166 166 VAL H H 166 7.342 7.342 7.905 -0.563 19522 8641 1 13 . 1 1 167 167 SER N N 167 110.775 110.775 116.134 -5.359 19522 8642 1 13 . 1 1 167 167 SER C C 167 176.737 176.737 176.862 -0.125 19522 8643 1 13 . 1 1 167 167 SER CA C 167 60.215 60.215 62.233 -2.018 19522 8644 1 13 . 1 1 167 167 SER CB C 167 61.654 61.654 62.701 -1.047 19522 8645 1 13 . 1 1 167 167 SER H H 167 8.099 8.099 8.679 -0.580 19522 8646 1 13 . 1 1 168 168 ARG N N 168 122.916 122.916 120.621 2.295 19522 8647 1 13 . 1 1 168 168 ARG C C 168 175.439 175.439 178.059 -2.620 19522 8648 1 13 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.328 3.287 19522 8649 1 13 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.894 -1.883 19522 8650 1 13 . 1 1 168 168 ARG H H 168 6.596 6.596 7.830 -1.234 19522 8651 1 13 . 1 1 169 169 ILE N N 169 118.335 118.335 120.814 -2.479 19522 8652 1 13 . 1 1 169 169 ILE C C 169 177.779 177.779 177.720 0.059 19522 8653 1 13 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.492 -1.361 19522 8654 1 13 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.678 -0.717 19522 8655 1 13 . 1 1 169 169 ILE H H 169 7.928 7.928 7.912 0.016 19522 8656 1 13 . 1 1 170 170 ALA N N 170 119.271 119.271 121.034 -1.763 19522 8657 1 13 . 1 1 170 170 ALA C C 170 179.195 179.195 179.179 0.016 19522 8658 1 13 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.413 -1.511 19522 8659 1 13 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.858 -1.034 19522 8660 1 13 . 1 1 170 170 ALA H H 170 7.672 7.672 8.386 -0.714 19522 8661 1 13 . 1 1 171 171 ALA N N 171 120.393 120.393 121.656 -1.263 19522 8662 1 13 . 1 1 171 171 ALA C C 171 180.833 180.833 179.541 1.292 19522 8663 1 13 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.627 -0.485 19522 8664 1 13 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.786 -1.282 19522 8665 1 13 . 1 1 171 171 ALA H H 171 7.258 7.258 7.334 -0.076 19522 8666 1 13 . 1 1 172 172 TRP N N 172 121.501 121.501 118.614 2.887 19522 8667 1 13 . 1 1 172 172 TRP C C 172 179.350 179.350 178.547 0.803 19522 8668 1 13 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.888 -1.869 19522 8669 1 13 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.700 -1.407 19522 8670 1 13 . 1 1 172 172 TRP H H 172 8.936 8.936 7.880 1.056 19522 8671 1 13 . 1 1 173 173 MET N N 173 117.211 117.211 119.718 -2.507 19522 8672 1 13 . 1 1 173 173 MET C C 173 176.158 176.158 178.242 -2.084 19522 8673 1 13 . 1 1 173 173 MET CA C 173 60.238 60.238 59.321 0.917 19522 8674 1 13 . 1 1 173 173 MET CB C 173 28.833 28.833 32.891 -4.058 19522 8675 1 13 . 1 1 173 173 MET H H 173 8.885 8.885 8.691 0.194 19522 8676 1 13 . 1 1 174 174 ALA N N 174 120.901 120.901 120.750 0.151 19522 8677 1 13 . 1 1 174 174 ALA C C 174 178.875 178.875 179.578 -0.703 19522 8678 1 13 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.528 -0.667 19522 8679 1 13 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.042 -1.355 19522 8680 1 13 . 1 1 174 174 ALA H H 174 8.206 8.206 8.450 -0.244 19522 8681 1 13 . 1 1 175 175 THR N N 175 116.591 116.591 117.371 -0.780 19522 8682 1 13 . 1 1 175 175 THR C C 175 174.782 174.782 176.702 -1.920 19522 8683 1 13 . 1 1 175 175 THR CA C 175 66.209 66.209 67.018 -0.809 19522 8684 1 13 . 1 1 175 175 THR CB C 175 68.046 68.046 68.665 -0.619 19522 8685 1 13 . 1 1 175 175 THR H H 175 8.530 8.530 7.746 0.784 19522 8686 1 13 . 1 1 176 176 TYR N N 176 123.375 123.375 122.865 0.510 19522 8687 1 13 . 1 1 176 176 TYR C C 176 179.255 179.255 177.452 1.803 19522 8688 1 13 . 1 1 176 176 TYR CA C 176 62.373 62.373 61.974 0.400 19522 8689 1 13 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.706 -0.843 19522 8690 1 13 . 1 1 176 176 TYR H H 176 8.822 8.822 8.617 0.205 19522 8691 1 13 . 1 1 177 177 LEU N N 177 119.511 119.511 120.676 -1.165 19522 8692 1 13 . 1 1 177 177 LEU C C 177 177.979 177.979 178.422 -0.443 19522 8693 1 13 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.525 -0.068 19522 8694 1 13 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.924 -0.648 19522 8695 1 13 . 1 1 177 177 LEU H H 177 8.759 8.759 8.748 0.011 19522 8696 1 13 . 1 1 178 178 ASN N N 178 117.233 117.233 116.663 0.570 19522 8697 1 13 . 1 1 178 178 ASN C C 178 176.021 176.021 176.946 -0.925 19522 8698 1 13 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.112 -0.269 19522 8699 1 13 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.468 -0.365 19522 8700 1 13 . 1 1 178 178 ASN H H 178 8.333 8.333 7.876 0.457 19522 8701 1 13 . 1 1 179 179 ASP N N 179 115.264 115.264 119.122 -3.858 19522 8702 1 13 . 1 1 179 179 ASP C C 179 177.557 177.557 177.095 0.462 19522 8703 1 13 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.756 -0.856 19522 8704 1 13 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.307 -2.028 19522 8705 1 13 . 1 1 179 179 ASP H H 179 8.451 8.451 8.086 0.365 19522 8706 1 13 . 1 1 180 180 HIS N N 180 111.728 111.728 114.150 -2.422 19522 8707 1 13 . 1 1 180 180 HIS C C 180 175.479 175.479 176.795 -1.316 19522 8708 1 13 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.351 -0.930 19522 8709 1 13 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.463 -2.854 19522 8710 1 13 . 1 1 180 180 HIS H H 180 8.073 8.073 7.782 0.291 19522 8711 1 13 . 1 1 181 181 LEU N N 181 116.833 116.833 122.170 -5.337 19522 8712 1 13 . 1 1 181 181 LEU C C 181 176.160 176.160 178.358 -2.198 19522 8713 1 13 . 1 1 181 181 LEU CA C 181 55.021 55.021 59.064 -4.043 19522 8714 1 13 . 1 1 181 181 LEU CB C 181 41.756 41.756 42.026 -0.270 19522 8715 1 13 . 1 1 181 181 LEU H H 181 7.183 7.183 7.953 -0.770 19522 8716 1 13 . 1 1 182 182 GLU N N 182 121.364 121.364 119.030 2.334 19522 8717 1 13 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.796 -0.782 19522 8718 1 13 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.610 -1.654 19522 8719 1 13 . 1 1 182 182 GLU H H 182 8.596 8.596 8.763 -0.167 19522 8720 1 13 . 1 1 184 184 TRP N N 184 117.804 117.804 118.258 -0.454 19522 8721 1 13 . 1 1 184 184 TRP C C 184 179.217 179.217 177.633 1.584 19522 8722 1 13 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.608 6.064 19522 8723 1 13 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.120 -1.047 19522 8724 1 13 . 1 1 184 184 TRP H H 184 7.070 7.070 7.701 -0.631 19522 8725 1 13 . 1 1 185 185 ILE N N 185 121.825 121.825 119.056 2.769 19522 8726 1 13 . 1 1 185 185 ILE C C 185 178.655 178.655 178.174 0.481 19522 8727 1 13 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.024 0.248 19522 8728 1 13 . 1 1 185 185 ILE CB C 185 35.945 35.945 38.007 -2.062 19522 8729 1 13 . 1 1 185 185 ILE H H 185 8.396 8.396 8.129 0.267 19522 8730 1 13 . 1 1 186 186 GLN N N 186 116.489 116.489 116.821 -0.332 19522 8731 1 13 . 1 1 186 186 GLN C C 186 179.035 179.035 175.673 3.362 19522 8732 1 13 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.443 1.375 19522 8733 1 13 . 1 1 186 186 GLN CB C 186 26.813 26.813 26.979 -0.166 19522 8734 1 13 . 1 1 186 186 GLN H H 186 8.374 8.374 7.935 0.439 19522 8735 1 13 . 1 1 187 187 GLU N N 187 118.764 118.764 118.781 -0.017 19522 8736 1 13 . 1 1 187 187 GLU C C 187 176.458 176.458 176.881 -0.423 19522 8737 1 13 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.627 0.392 19522 8738 1 13 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.860 -2.449 19522 8739 1 13 . 1 1 187 187 GLU H H 187 7.515 7.515 7.489 0.026 19522 8740 1 13 . 1 1 188 188 ASN N N 188 116.561 116.561 117.608 -1.047 19522 8741 1 13 . 1 1 188 188 ASN C C 188 173.620 173.620 174.884 -1.264 19522 8742 1 13 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.394 -0.531 19522 8743 1 13 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.084 -3.363 19522 8744 1 13 . 1 1 188 188 ASN H H 188 7.092 7.092 8.026 -0.934 19522 8745 1 13 . 1 1 189 189 GLY N N 189 104.897 104.897 105.481 -0.584 19522 8746 1 13 . 1 1 189 189 GLY C C 189 175.658 175.658 172.831 2.827 19522 8747 1 13 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.645 0.147 19522 8748 1 13 . 1 1 189 189 GLY H H 189 7.339 7.339 7.473 -0.134 19522 8749 1 13 . 1 1 190 190 GLY N N 190 108.292 108.292 107.812 0.480 19522 8750 1 13 . 1 1 190 190 GLY C C 190 173.021 173.021 174.729 -1.708 19522 8751 1 13 . 1 1 190 190 GLY CA C 190 43.354 43.354 44.732 -1.378 19522 8752 1 13 . 1 1 190 190 GLY H H 190 8.462 8.462 9.118 -0.656 19522 8753 1 13 . 1 1 191 191 TRP N N 191 118.031 118.031 121.164 -3.133 19522 8754 1 13 . 1 1 191 191 TRP C C 191 178.136 178.136 177.224 0.912 19522 8755 1 13 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.122 -0.706 19522 8756 1 13 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.004 -0.354 19522 8757 1 13 . 1 1 191 191 TRP H H 191 8.673 8.673 8.383 0.290 19522 8758 1 13 . 1 1 192 192 ASP N N 192 117.298 117.298 118.727 -1.429 19522 8759 1 13 . 1 1 192 192 ASP C C 192 179.058 179.058 177.651 1.407 19522 8760 1 13 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.374 0.485 19522 8761 1 13 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.877 -0.598 19522 8762 1 13 . 1 1 192 192 ASP H H 192 8.846 8.846 8.054 0.792 19522 8763 1 13 . 1 1 193 193 THR N N 193 116.061 116.061 114.017 2.044 19522 8764 1 13 . 1 1 193 193 THR C C 193 174.979 174.979 176.144 -1.165 19522 8765 1 13 . 1 1 193 193 THR CA C 193 65.649 65.649 64.311 1.338 19522 8766 1 13 . 1 1 193 193 THR CB C 193 67.327 67.327 68.640 -1.313 19522 8767 1 13 . 1 1 193 193 THR H H 193 7.431 7.431 7.548 -0.117 19522 8768 1 13 . 1 1 194 194 PHE N N 194 121.789 121.789 123.421 -1.632 19522 8769 1 13 . 1 1 194 194 PHE C C 194 176.418 176.418 176.542 -0.124 19522 8770 1 13 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.159 -0.145 19522 8771 1 13 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.399 -2.518 19522 8772 1 13 . 1 1 194 194 PHE H H 194 6.527 6.527 8.191 -1.664 19522 8773 1 13 . 1 1 195 195 VAL N N 195 116.988 116.988 116.591 0.397 19522 8774 1 13 . 1 1 195 195 VAL C C 195 178.078 178.078 178.262 -0.184 19522 8775 1 13 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.006 -0.254 19522 8776 1 13 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.813 -0.325 19522 8777 1 13 . 1 1 195 195 VAL H H 195 7.747 7.747 8.075 -0.328 19522 8778 1 13 . 1 1 196 196 GLU N N 196 120.171 120.171 119.528 0.643 19522 8779 1 13 . 1 1 196 196 GLU C C 196 177.976 177.976 178.954 -0.978 19522 8780 1 13 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.363 -1.043 19522 8781 1 13 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.191 -0.518 19522 8782 1 13 . 1 1 196 196 GLU H H 196 7.497 7.497 7.976 -0.479 19522 8783 1 13 . 1 1 197 197 LEU N N 197 117.210 117.210 113.870 3.340 19522 8784 1 13 . 1 1 197 197 LEU C C 197 178.376 178.376 176.882 1.494 19522 8785 1 13 . 1 1 197 197 LEU CA C 197 55.900 55.900 56.146 -0.246 19522 8786 1 13 . 1 1 197 197 LEU CB C 197 42.395 42.395 40.813 1.582 19522 8787 1 13 . 1 1 197 197 LEU H H 197 7.626 7.626 7.501 0.125 19522 8788 1 13 . 1 1 198 198 TYR N N 198 115.681 115.681 120.537 -4.856 19522 8789 1 13 . 1 1 198 198 TYR C C 198 176.577 176.577 176.460 0.117 19522 8790 1 13 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.783 -0.406 19522 8791 1 13 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.351 -2.830 19522 8792 1 13 . 1 1 198 198 TYR H H 198 8.081 8.081 7.586 0.495 19522 8793 1 13 . 1 1 199 199 GLY N N 199 108.201 108.201 104.304 3.897 19522 8794 1 13 . 1 1 199 199 GLY C C 199 173.640 173.640 173.784 -0.144 19522 8795 1 13 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.374 -0.821 19522 8796 1 13 . 1 1 199 199 GLY H H 199 8.032 8.032 8.328 -0.296 19522 8797 1 13 . 1 1 200 200 ASN N N 200 118.385 118.385 117.758 0.627 19522 8798 1 13 . 1 1 200 200 ASN C C 200 175.081 175.081 173.735 1.346 19522 8799 1 13 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.094 -0.310 19522 8800 1 13 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.746 -2.305 19522 8801 1 13 . 1 1 200 200 ASN H H 200 8.300 8.300 7.801 0.499 19522 8802 1 14 . 1 1 5 5 SER N N 5 116.171 116.171 120.798 -4.627 19522 8803 1 14 . 1 1 5 5 SER C C 5 174.320 174.320 175.059 -0.739 19522 8804 1 14 . 1 1 5 5 SER CA C 5 57.898 57.898 58.332 -0.434 19522 8805 1 14 . 1 1 5 5 SER CB C 5 62.533 62.533 63.584 -1.051 19522 8806 1 14 . 1 1 5 5 SER H H 5 8.224 8.224 8.697 -0.473 19522 8807 1 14 . 1 1 6 6 GLN N N 6 122.369 122.369 120.280 2.089 19522 8808 1 14 . 1 1 6 6 GLN C C 6 176.418 176.418 176.402 0.016 19522 8809 1 14 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.372 -0.472 19522 8810 1 14 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.919 0.891 19522 8811 1 14 . 1 1 6 6 GLN H H 6 8.337 8.337 8.269 0.068 19522 8812 1 14 . 1 1 7 7 SER N N 7 116.584 116.584 115.523 1.061 19522 8813 1 14 . 1 1 7 7 SER C C 7 175.859 175.859 175.879 -0.020 19522 8814 1 14 . 1 1 7 7 SER CA C 7 56.260 56.260 61.434 -5.174 19522 8815 1 14 . 1 1 7 7 SER CB C 7 61.916 61.916 62.911 -0.995 19522 8816 1 14 . 1 1 7 7 SER H H 7 8.221 8.221 8.707 -0.486 19522 8817 1 14 . 1 1 8 8 ASN N N 8 119.373 119.373 121.064 -1.691 19522 8818 1 14 . 1 1 8 8 ASN C C 8 177.259 177.259 177.411 -0.152 19522 8819 1 14 . 1 1 8 8 ASN CA C 8 53.207 53.207 56.123 -2.916 19522 8820 1 14 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.215 -1.551 19522 8821 1 14 . 1 1 8 8 ASN H H 8 8.375 8.375 7.977 0.398 19522 8822 1 14 . 1 1 9 9 ARG N N 9 119.039 119.039 121.250 -2.211 19522 8823 1 14 . 1 1 9 9 ARG C C 9 176.977 176.977 178.486 -1.509 19522 8824 1 14 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.166 -1.160 19522 8825 1 14 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.153 1.157 19522 8826 1 14 . 1 1 9 9 ARG H H 9 7.815 7.815 8.753 -0.938 19522 8827 1 14 . 1 1 10 10 GLU N N 10 117.158 117.158 120.266 -3.108 19522 8828 1 14 . 1 1 10 10 GLU C C 10 179.475 179.475 179.264 0.211 19522 8829 1 14 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.276 -3.779 19522 8830 1 14 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.050 -0.057 19522 8831 1 14 . 1 1 10 10 GLU H H 10 7.949 7.949 8.234 -0.285 19522 8832 1 14 . 1 1 11 11 LEU N N 11 119.880 119.880 120.291 -0.411 19522 8833 1 14 . 1 1 11 11 LEU C C 11 178.096 178.096 179.149 -1.053 19522 8834 1 14 . 1 1 11 11 LEU CA C 11 57.201 57.201 58.029 -0.828 19522 8835 1 14 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.358 -1.440 19522 8836 1 14 . 1 1 11 11 LEU H H 11 7.807 7.807 7.884 -0.077 19522 8837 1 14 . 1 1 12 12 VAL N N 12 117.702 117.702 119.714 -2.012 19522 8838 1 14 . 1 1 12 12 VAL C C 12 176.377 176.377 178.505 -2.128 19522 8839 1 14 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.123 -0.035 19522 8840 1 14 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.131 -0.163 19522 8841 1 14 . 1 1 12 12 VAL H H 12 7.690 7.690 8.021 -0.331 19522 8842 1 14 . 1 1 13 13 VAL N N 13 116.258 116.258 115.949 0.309 19522 8843 1 14 . 1 1 13 13 VAL C C 13 178.416 178.416 177.288 1.128 19522 8844 1 14 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.960 -0.049 19522 8845 1 14 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.764 -2.171 19522 8846 1 14 . 1 1 13 13 VAL H H 13 8.225 8.225 8.197 0.028 19522 8847 1 14 . 1 1 14 14 ASP N N 14 120.362 120.362 122.290 -1.928 19522 8848 1 14 . 1 1 14 14 ASP C C 14 177.040 177.040 177.854 -0.814 19522 8849 1 14 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.563 0.415 19522 8850 1 14 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.172 1.086 19522 8851 1 14 . 1 1 14 14 ASP H H 14 7.967 7.967 8.026 -0.059 19522 8852 1 14 . 1 1 15 15 PHE N N 15 119.747 119.747 120.448 -0.701 19522 8853 1 14 . 1 1 15 15 PHE C C 15 177.876 177.876 177.445 0.431 19522 8854 1 14 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.479 0.996 19522 8855 1 14 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.428 -0.846 19522 8856 1 14 . 1 1 15 15 PHE H H 15 8.308 8.308 8.315 -0.007 19522 8857 1 14 . 1 1 16 16 LEU N N 16 116.203 116.203 119.957 -3.754 19522 8858 1 14 . 1 1 16 16 LEU C C 16 175.618 175.618 178.456 -2.838 19522 8859 1 14 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.329 -0.751 19522 8860 1 14 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.845 -1.505 19522 8861 1 14 . 1 1 16 16 LEU H H 16 8.718 8.718 8.090 0.628 19522 8862 1 14 . 1 1 17 17 SER N N 17 113.607 113.607 115.311 -1.704 19522 8863 1 14 . 1 1 17 17 SER C C 17 176.980 176.980 176.449 0.531 19522 8864 1 14 . 1 1 17 17 SER CA C 17 62.150 62.150 62.343 -0.193 19522 8865 1 14 . 1 1 17 17 SER CB C 17 60.854 60.854 62.897 -2.043 19522 8866 1 14 . 1 1 17 17 SER H H 17 8.338 8.338 8.356 -0.018 19522 8867 1 14 . 1 1 18 18 TYR N N 18 124.591 124.591 122.072 2.519 19522 8868 1 14 . 1 1 18 18 TYR C C 18 177.996 177.996 176.584 1.412 19522 8869 1 14 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.806 -1.527 19522 8870 1 14 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.539 -2.195 19522 8871 1 14 . 1 1 18 18 TYR H H 18 8.228 8.228 8.306 -0.078 19522 8872 1 14 . 1 1 19 19 LYS N N 19 119.761 119.761 118.420 1.341 19522 8873 1 14 . 1 1 19 19 LYS C C 19 179.841 179.841 178.362 1.479 19522 8874 1 14 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.102 -1.019 19522 8875 1 14 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.570 -3.920 19522 8876 1 14 . 1 1 19 19 LYS H H 19 8.230 8.230 7.327 0.903 19522 8877 1 14 . 1 1 20 20 LEU N N 20 118.077 118.077 119.799 -1.722 19522 8878 1 14 . 1 1 20 20 LEU C C 20 179.654 179.654 177.299 2.355 19522 8879 1 14 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.780 1.198 19522 8880 1 14 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.826 -2.388 19522 8881 1 14 . 1 1 20 20 LEU H H 20 8.534 8.534 8.218 0.316 19522 8882 1 14 . 1 1 21 21 SER N N 21 117.073 117.073 111.764 5.309 19522 8883 1 14 . 1 1 21 21 SER C C 21 178.204 178.204 174.319 3.885 19522 8884 1 14 . 1 1 21 21 SER CA C 21 60.375 60.375 58.362 2.013 19522 8885 1 14 . 1 1 21 21 SER CB C 21 61.836 61.836 62.403 -0.567 19522 8886 1 14 . 1 1 21 21 SER H H 21 8.239 8.239 7.480 0.759 19522 8887 1 14 . 1 1 22 22 GLN N N 22 122.767 122.767 121.524 1.243 19522 8888 1 14 . 1 1 22 22 GLN C C 22 176.997 176.997 175.549 1.448 19522 8889 1 14 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.385 0.193 19522 8890 1 14 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.586 -2.454 19522 8891 1 14 . 1 1 22 22 GLN H H 22 7.632 7.632 7.475 0.157 19522 8892 1 14 . 1 1 23 23 LYS N N 23 116.016 116.016 116.981 -0.965 19522 8893 1 14 . 1 1 23 23 LYS C C 23 175.419 175.419 174.784 0.635 19522 8894 1 14 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.166 -3.223 19522 8895 1 14 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.127 -3.079 19522 8896 1 14 . 1 1 23 23 LYS H H 23 7.167 7.167 8.260 -1.093 19522 8897 1 14 . 1 1 24 24 GLY N N 24 105.329 105.329 109.721 -4.392 19522 8898 1 14 . 1 1 24 24 GLY C C 24 173.680 173.680 172.418 1.262 19522 8899 1 14 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.965 -0.652 19522 8900 1 14 . 1 1 24 24 GLY H H 24 7.504 7.504 8.009 -0.505 19522 8901 1 14 . 1 1 25 25 TYR N N 25 119.528 119.528 115.703 3.825 19522 8902 1 14 . 1 1 25 25 TYR C C 25 174.779 174.779 174.437 0.342 19522 8903 1 14 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.744 2.017 19522 8904 1 14 . 1 1 25 25 TYR CB C 25 39.301 39.301 39.074 0.227 19522 8905 1 14 . 1 1 25 25 TYR H H 25 7.817 7.817 6.926 0.891 19522 8906 1 14 . 1 1 26 26 SER N N 26 115.815 115.815 120.536 -4.721 19522 8907 1 14 . 1 1 26 26 SER C C 26 173.860 173.860 175.926 -2.066 19522 8908 1 14 . 1 1 26 26 SER CA C 26 56.083 56.083 57.509 -1.426 19522 8909 1 14 . 1 1 26 26 SER CB C 26 63.275 63.275 63.711 -0.436 19522 8910 1 14 . 1 1 26 26 SER H H 26 8.475 8.475 8.009 0.466 19522 8911 1 14 . 1 1 27 27 TRP N N 27 126.476 126.476 121.875 4.601 19522 8912 1 14 . 1 1 27 27 TRP C C 27 174.141 174.141 176.972 -2.831 19522 8913 1 14 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.279 0.122 19522 8914 1 14 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.256 -0.046 19522 8915 1 14 . 1 1 27 27 TRP H H 27 8.720 8.720 7.690 1.030 19522 8916 1 14 . 1 1 28 28 SER N N 28 114.011 114.011 114.226 -0.215 19522 8917 1 14 . 1 1 28 28 SER C C 28 172.859 172.859 175.532 -2.673 19522 8918 1 14 . 1 1 28 28 SER CA C 28 66.186 66.186 60.062 6.124 19522 8919 1 14 . 1 1 28 28 SER CB C 28 61.996 61.996 62.191 -0.195 19522 8920 1 14 . 1 1 28 28 SER H H 28 8.034 8.034 7.816 0.218 19522 8921 1 14 . 1 1 29 29 GLN N N 29 120.138 120.138 118.982 1.156 19522 8922 1 14 . 1 1 29 29 GLN C C 29 177.250 177.250 176.595 0.655 19522 8923 1 14 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.803 -2.633 19522 8924 1 14 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.054 -0.715 19522 8925 1 14 . 1 1 29 29 GLN H H 29 7.323 7.323 7.421 -0.098 19522 8926 1 14 . 1 1 30 30 PHE N N 30 113.775 113.775 118.571 -4.796 19522 8927 1 14 . 1 1 30 30 PHE C C 30 176.814 176.814 176.792 0.022 19522 8928 1 14 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.596 -3.433 19522 8929 1 14 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.732 -1.892 19522 8930 1 14 . 1 1 30 30 PHE H H 30 6.778 6.778 7.281 -0.503 19522 8931 1 14 . 1 1 87 87 ALA N N 87 124.732 124.732 125.593 -0.861 19522 8932 1 14 . 1 1 87 87 ALA C C 87 175.941 175.941 177.092 -1.151 19522 8933 1 14 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.499 -2.649 19522 8934 1 14 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.339 -1.773 19522 8935 1 14 . 1 1 87 87 ALA H H 87 8.079 8.079 8.923 -0.844 19522 8936 1 14 . 1 1 88 88 ALA N N 88 121.664 121.664 119.569 2.095 19522 8937 1 14 . 1 1 88 88 ALA C C 88 177.523 177.523 177.786 -0.263 19522 8938 1 14 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.372 3.779 19522 8939 1 14 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.074 0.389 19522 8940 1 14 . 1 1 88 88 ALA H H 88 7.951 7.951 7.677 0.274 19522 8941 1 14 . 1 1 89 89 VAL N N 89 119.415 119.415 118.927 0.488 19522 8942 1 14 . 1 1 89 89 VAL C C 89 176.857 176.857 176.638 0.219 19522 8943 1 14 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.182 -4.346 19522 8944 1 14 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.487 -0.416 19522 8945 1 14 . 1 1 89 89 VAL H H 89 8.161 8.161 8.469 -0.308 19522 8946 1 14 . 1 1 90 90 LYS N N 90 121.221 121.221 118.364 2.857 19522 8947 1 14 . 1 1 90 90 LYS C C 90 175.559 175.559 178.500 -2.941 19522 8948 1 14 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.523 -3.440 19522 8949 1 14 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.990 -3.077 19522 8950 1 14 . 1 1 90 90 LYS H H 90 8.529 8.529 8.283 0.246 19522 8951 1 14 . 1 1 91 91 GLN N N 91 115.879 115.879 118.896 -3.017 19522 8952 1 14 . 1 1 91 91 GLN C C 91 176.950 176.950 177.963 -1.013 19522 8953 1 14 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.038 -0.117 19522 8954 1 14 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.291 -1.056 19522 8955 1 14 . 1 1 91 91 GLN H H 91 7.973 7.973 7.362 0.611 19522 8956 1 14 . 1 1 92 92 ALA N N 92 119.538 119.538 123.793 -4.255 19522 8957 1 14 . 1 1 92 92 ALA C C 92 179.537 179.537 179.729 -0.192 19522 8958 1 14 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.407 -1.162 19522 8959 1 14 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.300 -1.533 19522 8960 1 14 . 1 1 92 92 ALA H H 92 7.661 7.661 8.529 -0.868 19522 8961 1 14 . 1 1 93 93 LEU N N 93 120.236 120.236 118.491 1.745 19522 8962 1 14 . 1 1 93 93 LEU C C 93 179.075 179.075 179.102 -0.027 19522 8963 1 14 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.407 0.380 19522 8964 1 14 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.557 0.000 19522 8965 1 14 . 1 1 93 93 LEU H H 93 8.544 8.544 8.308 0.236 19522 8966 1 14 . 1 1 94 94 ARG N N 94 118.361 118.361 120.204 -1.843 19522 8967 1 14 . 1 1 94 94 ARG C C 94 178.396 178.396 178.538 -0.142 19522 8968 1 14 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.613 0.123 19522 8969 1 14 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.600 -1.509 19522 8970 1 14 . 1 1 94 94 ARG H H 94 8.057 8.057 7.495 0.562 19522 8971 1 14 . 1 1 95 95 GLU N N 95 115.851 115.851 119.437 -3.586 19522 8972 1 14 . 1 1 95 95 GLU C C 95 179.794 179.794 179.089 0.705 19522 8973 1 14 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.745 -1.528 19522 8974 1 14 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.343 -1.252 19522 8975 1 14 . 1 1 95 95 GLU H H 95 7.737 7.737 8.088 -0.351 19522 8976 1 14 . 1 1 96 96 ALA N N 96 122.958 122.958 121.336 1.622 19522 8977 1 14 . 1 1 96 96 ALA C C 96 181.313 181.313 180.167 1.146 19522 8978 1 14 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.186 -0.884 19522 8979 1 14 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.378 -0.675 19522 8980 1 14 . 1 1 96 96 ALA H H 96 8.824 8.824 7.985 0.839 19522 8981 1 14 . 1 1 97 97 GLY N N 97 108.363 108.363 106.961 1.402 19522 8982 1 14 . 1 1 97 97 GLY C C 97 178.177 178.177 176.339 1.838 19522 8983 1 14 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.422 -1.431 19522 8984 1 14 . 1 1 97 97 GLY H H 97 9.088 9.088 8.435 0.653 19522 8985 1 14 . 1 1 98 98 ASP N N 98 122.197 122.197 122.503 -0.306 19522 8986 1 14 . 1 1 98 98 ASP C C 98 178.715 178.715 178.937 -0.222 19522 8987 1 14 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.616 -0.597 19522 8988 1 14 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.856 -2.377 19522 8989 1 14 . 1 1 98 98 ASP H H 98 8.102 8.102 8.431 -0.329 19522 8990 1 14 . 1 1 99 99 GLU N N 99 120.103 120.103 118.954 1.149 19522 8991 1 14 . 1 1 99 99 GLU C C 99 179.513 179.513 178.708 0.805 19522 8992 1 14 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.123 -5.370 19522 8993 1 14 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.653 -1.162 19522 8994 1 14 . 1 1 99 99 GLU H H 99 8.115 8.115 8.193 -0.078 19522 8995 1 14 . 1 1 100 100 PHE N N 100 120.218 120.218 117.664 2.554 19522 8996 1 14 . 1 1 100 100 PHE C C 100 178.618 178.618 177.497 1.121 19522 8997 1 14 . 1 1 100 100 PHE CA C 100 57.460 57.460 60.650 -3.190 19522 8998 1 14 . 1 1 100 100 PHE CB C 100 40.336 40.336 40.276 0.060 19522 8999 1 14 . 1 1 100 100 PHE H H 100 8.535 8.535 7.807 0.728 19522 9000 1 14 . 1 1 101 101 GLU N N 101 117.531 117.531 121.635 -4.104 19522 9001 1 14 . 1 1 101 101 GLU C C 101 177.339 177.339 179.104 -1.765 19522 9002 1 14 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.304 -2.703 19522 9003 1 14 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.920 -1.327 19522 9004 1 14 . 1 1 101 101 GLU H H 101 8.032 8.032 8.650 -0.618 19522 9005 1 14 . 1 1 102 102 LEU N N 102 116.641 116.641 115.747 0.894 19522 9006 1 14 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.818 -1.230 19522 9007 1 14 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.549 -0.776 19522 9008 1 14 . 1 1 102 102 LEU H H 102 7.369 7.369 7.796 -0.427 19522 9009 1 14 . 1 1 103 103 ARG N N 103 115.854 115.854 118.196 -2.342 19522 9010 1 14 . 1 1 103 103 ARG C C 103 177.605 177.605 177.642 -0.037 19522 9011 1 14 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.101 0.886 19522 9012 1 14 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.218 -0.068 19522 9013 1 14 . 1 1 103 103 ARG H H 103 7.472 7.472 7.848 -0.376 19522 9014 1 14 . 1 1 104 104 TYR N N 104 119.078 119.078 119.252 -0.174 19522 9015 1 14 . 1 1 104 104 TYR C C 104 174.962 174.962 177.094 -2.132 19522 9016 1 14 . 1 1 104 104 TYR CA C 104 60.841 60.841 60.971 -0.130 19522 9017 1 14 . 1 1 104 104 TYR CB C 104 36.628 36.628 39.001 -2.373 19522 9018 1 14 . 1 1 104 104 TYR H H 104 7.904 7.904 7.886 0.018 19522 9019 1 14 . 1 1 105 105 ARG N N 105 119.378 119.378 118.187 1.191 19522 9020 1 14 . 1 1 105 105 ARG C C 105 178.395 178.395 176.873 1.522 19522 9021 1 14 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.536 1.385 19522 9022 1 14 . 1 1 105 105 ARG CB C 105 27.794 27.794 28.877 -1.083 19522 9023 1 14 . 1 1 105 105 ARG H H 105 7.195 7.195 8.366 -1.171 19522 9024 1 14 . 1 1 106 106 ARG N N 106 118.875 118.875 118.962 -0.087 19522 9025 1 14 . 1 1 106 106 ARG C C 106 177.257 177.257 176.238 1.019 19522 9026 1 14 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.635 1.280 19522 9027 1 14 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.003 -2.450 19522 9028 1 14 . 1 1 106 106 ARG H H 106 8.452 8.452 7.868 0.584 19522 9029 1 14 . 1 1 107 107 ALA N N 107 121.864 121.864 122.539 -0.675 19522 9030 1 14 . 1 1 107 107 ALA C C 107 175.701 175.701 176.604 -0.903 19522 9031 1 14 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.149 0.495 19522 9032 1 14 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.420 -0.357 19522 9033 1 14 . 1 1 107 107 ALA H H 107 7.839 7.839 8.114 -0.275 19522 9034 1 14 . 1 1 108 108 PHE N N 108 121.984 121.984 120.134 1.850 19522 9035 1 14 . 1 1 108 108 PHE C C 108 174.982 174.982 175.411 -0.429 19522 9036 1 14 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.144 -0.102 19522 9037 1 14 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.759 1.079 19522 9038 1 14 . 1 1 108 108 PHE H H 108 8.392 8.392 8.064 0.328 19522 9039 1 14 . 1 1 109 109 SER N N 109 114.585 114.585 118.234 -3.649 19522 9040 1 14 . 1 1 109 109 SER C C 109 175.421 175.421 174.505 0.916 19522 9041 1 14 . 1 1 109 109 SER CA C 109 55.044 55.044 56.915 -1.871 19522 9042 1 14 . 1 1 109 109 SER CB C 109 63.241 63.241 65.920 -2.679 19522 9043 1 14 . 1 1 109 109 SER H H 109 7.810 7.810 8.677 -0.867 19522 9044 1 14 . 1 1 110 110 ASP N N 110 119.725 119.725 122.369 -2.644 19522 9045 1 14 . 1 1 110 110 ASP C C 110 178.196 178.196 178.820 -0.624 19522 9046 1 14 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.311 -1.331 19522 9047 1 14 . 1 1 110 110 ASP CB C 110 37.840 37.840 41.068 -3.228 19522 9048 1 14 . 1 1 110 110 ASP H H 110 8.380 8.380 8.723 -0.343 19522 9049 1 14 . 1 1 111 111 LEU N N 111 120.827 120.827 120.176 0.651 19522 9050 1 14 . 1 1 111 111 LEU C C 111 178.804 178.804 178.667 0.137 19522 9051 1 14 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.354 -1.255 19522 9052 1 14 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.576 -0.779 19522 9053 1 14 . 1 1 111 111 LEU H H 111 7.783 7.783 8.844 -1.061 19522 9054 1 14 . 1 1 112 112 THR N N 112 109.101 109.101 114.902 -5.801 19522 9055 1 14 . 1 1 112 112 THR C C 112 177.157 177.157 177.080 0.077 19522 9056 1 14 . 1 1 112 112 THR CA C 112 64.690 64.690 66.867 -2.177 19522 9057 1 14 . 1 1 112 112 THR CB C 112 67.407 67.407 68.443 -1.036 19522 9058 1 14 . 1 1 112 112 THR H H 112 8.331 8.331 7.942 0.389 19522 9059 1 14 . 1 1 113 113 SER N N 113 115.811 115.811 117.585 -1.774 19522 9060 1 14 . 1 1 113 113 SER C C 113 175.319 175.319 176.198 -0.879 19522 9061 1 14 . 1 1 113 113 SER CA C 113 59.736 59.736 61.212 -1.476 19522 9062 1 14 . 1 1 113 113 SER CB C 113 62.213 62.213 63.010 -0.797 19522 9063 1 14 . 1 1 113 113 SER H H 113 7.645 7.645 7.808 -0.163 19522 9064 1 14 . 1 1 114 114 GLN N N 114 118.421 118.421 121.951 -3.530 19522 9065 1 14 . 1 1 114 114 GLN C C 114 175.978 175.978 177.593 -1.615 19522 9066 1 14 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.273 -1.814 19522 9067 1 14 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.650 -0.639 19522 9068 1 14 . 1 1 114 114 GLN H H 114 7.614 7.614 8.107 -0.493 19522 9069 1 14 . 1 1 115 115 LEU N N 115 118.236 118.236 117.996 0.240 19522 9070 1 14 . 1 1 115 115 LEU C C 115 176.198 176.198 177.289 -1.091 19522 9071 1 14 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.707 -0.903 19522 9072 1 14 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.879 -0.324 19522 9073 1 14 . 1 1 115 115 LEU H H 115 7.383 7.383 8.103 -0.720 19522 9074 1 14 . 1 1 116 116 HIS N N 116 119.694 119.694 117.915 1.779 19522 9075 1 14 . 1 1 116 116 HIS C C 116 174.122 174.122 174.315 -0.193 19522 9076 1 14 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.120 -0.741 19522 9077 1 14 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.092 -0.841 19522 9078 1 14 . 1 1 116 116 HIS H H 116 8.158 8.158 8.047 0.111 19522 9079 1 14 . 1 1 117 117 ILE N N 117 122.347 122.347 114.257 8.090 19522 9080 1 14 . 1 1 117 117 ILE C C 117 176.377 176.377 175.350 1.027 19522 9081 1 14 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.946 -1.229 19522 9082 1 14 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.556 1.667 19522 9083 1 14 . 1 1 117 117 ILE H H 117 8.658 8.658 8.149 0.509 19522 9084 1 14 . 1 1 118 118 THR N N 118 115.798 115.798 118.494 -2.696 19522 9085 1 14 . 1 1 118 118 THR CA C 118 57.921 57.921 59.946 -2.025 19522 9086 1 14 . 1 1 118 118 THR CB C 118 63.434 63.434 68.653 -5.219 19522 9087 1 14 . 1 1 118 118 THR H H 118 8.227 8.227 8.078 0.149 19522 9088 1 14 . 1 1 120 120 GLY N N 120 109.574 109.574 107.759 1.815 19522 9089 1 14 . 1 1 120 120 GLY C C 120 180.495 180.495 173.444 7.051 19522 9090 1 14 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.588 -1.195 19522 9091 1 14 . 1 1 120 120 GLY H H 120 8.429 8.429 8.021 0.408 19522 9092 1 14 . 1 1 121 121 THR N N 121 113.419 113.419 116.118 -2.699 19522 9093 1 14 . 1 1 121 121 THR C C 121 178.096 178.096 173.714 4.382 19522 9094 1 14 . 1 1 121 121 THR CA C 121 62.041 62.041 62.169 -0.128 19522 9095 1 14 . 1 1 121 121 THR CB C 121 63.994 63.994 66.696 -2.702 19522 9096 1 14 . 1 1 121 121 THR H H 121 7.774 7.774 7.979 -0.205 19522 9097 1 14 . 1 1 122 122 ALA N N 122 121.876 121.876 125.961 -4.085 19522 9098 1 14 . 1 1 122 122 ALA C C 122 177.397 177.397 176.955 0.442 19522 9099 1 14 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.713 -1.089 19522 9100 1 14 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.774 -2.249 19522 9101 1 14 . 1 1 122 122 ALA H H 122 7.944 7.944 8.363 -0.419 19522 9102 1 14 . 1 1 123 123 TYR N N 123 120.931 120.931 115.968 4.963 19522 9103 1 14 . 1 1 123 123 TYR C C 123 176.060 176.060 177.328 -1.268 19522 9104 1 14 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.711 1.344 19522 9105 1 14 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.699 -2.217 19522 9106 1 14 . 1 1 123 123 TYR H H 123 8.748 8.748 7.561 1.187 19522 9107 1 14 . 1 1 124 124 GLN N N 124 115.002 115.002 121.287 -6.285 19522 9108 1 14 . 1 1 124 124 GLN C C 124 178.098 178.098 178.292 -0.194 19522 9109 1 14 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.047 -0.407 19522 9110 1 14 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.644 -2.128 19522 9111 1 14 . 1 1 124 124 GLN H H 124 8.454 8.454 7.521 0.933 19522 9112 1 14 . 1 1 125 125 SER N N 125 114.135 114.135 115.607 -1.472 19522 9113 1 14 . 1 1 125 125 SER C C 125 179.557 179.557 176.221 3.336 19522 9114 1 14 . 1 1 125 125 SER CA C 125 61.357 61.357 61.446 -0.089 19522 9115 1 14 . 1 1 125 125 SER CB C 125 61.357 61.357 62.700 -1.343 19522 9116 1 14 . 1 1 125 125 SER H H 125 7.283 7.283 7.617 -0.334 19522 9117 1 14 . 1 1 126 126 PHE N N 126 113.327 113.327 123.493 -10.166 19522 9118 1 14 . 1 1 126 126 PHE C C 126 174.879 174.879 176.855 -1.976 19522 9119 1 14 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.940 0.177 19522 9120 1 14 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.075 -1.372 19522 9121 1 14 . 1 1 126 126 PHE H H 126 6.606 6.606 8.093 -1.487 19522 9122 1 14 . 1 1 127 127 GLU N N 127 119.398 119.398 119.105 0.293 19522 9123 1 14 . 1 1 127 127 GLU C C 127 176.857 176.857 178.865 -2.008 19522 9124 1 14 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.739 -1.681 19522 9125 1 14 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.194 -0.304 19522 9126 1 14 . 1 1 127 127 GLU H H 127 8.546 8.546 7.795 0.751 19522 9127 1 14 . 1 1 128 128 GLN N N 128 114.754 114.754 119.345 -4.591 19522 9128 1 14 . 1 1 128 128 GLN C C 128 178.356 178.356 178.764 -0.408 19522 9129 1 14 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.561 -0.481 19522 9130 1 14 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.508 -1.513 19522 9131 1 14 . 1 1 128 128 GLN H H 128 7.525 7.525 8.119 -0.594 19522 9132 1 14 . 1 1 129 129 VAL N N 129 118.194 118.194 119.511 -1.317 19522 9133 1 14 . 1 1 129 129 VAL C C 129 177.756 177.756 178.863 -1.107 19522 9134 1 14 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.308 -1.218 19522 9135 1 14 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.467 -1.218 19522 9136 1 14 . 1 1 129 129 VAL H H 129 7.036 7.036 7.928 -0.892 19522 9137 1 14 . 1 1 130 130 VAL N N 130 119.459 119.459 120.163 -0.704 19522 9138 1 14 . 1 1 130 130 VAL C C 130 177.714 177.714 178.262 -0.548 19522 9139 1 14 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.397 -0.988 19522 9140 1 14 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.566 -1.094 19522 9141 1 14 . 1 1 130 130 VAL H H 130 7.831 7.831 8.455 -0.624 19522 9142 1 14 . 1 1 131 131 ASN N N 131 117.212 117.212 117.444 -0.232 19522 9143 1 14 . 1 1 131 131 ASN C C 131 178.775 178.775 177.244 1.531 19522 9144 1 14 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.496 -1.852 19522 9145 1 14 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.456 -2.191 19522 9146 1 14 . 1 1 131 131 ASN H H 131 8.374 8.374 8.505 -0.131 19522 9147 1 14 . 1 1 132 132 GLU N N 132 118.393 118.393 119.934 -1.541 19522 9148 1 14 . 1 1 132 132 GLU C C 132 179.097 179.097 178.152 0.945 19522 9149 1 14 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.841 -0.863 19522 9150 1 14 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.475 -2.103 19522 9151 1 14 . 1 1 132 132 GLU H H 132 7.226 7.226 7.664 -0.438 19522 9152 1 14 . 1 1 133 133 LEU N N 133 120.835 120.835 118.722 2.113 19522 9153 1 14 . 1 1 133 133 LEU C C 133 178.016 178.016 177.763 0.253 19522 9154 1 14 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.259 -0.457 19522 9155 1 14 . 1 1 133 133 LEU CB C 133 39.781 39.781 42.065 -2.284 19522 9156 1 14 . 1 1 133 133 LEU H H 133 7.467 7.467 7.626 -0.159 19522 9157 1 14 . 1 1 134 134 PHE N N 134 112.847 112.847 118.119 -5.272 19522 9158 1 14 . 1 1 134 134 PHE C C 134 176.258 176.258 177.304 -1.046 19522 9159 1 14 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.748 -4.208 19522 9160 1 14 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.685 -0.822 19522 9161 1 14 . 1 1 134 134 PHE H H 134 6.926 6.926 7.509 -0.583 19522 9162 1 14 . 1 1 135 135 ARG N N 135 123.664 123.664 117.290 6.374 19522 9163 1 14 . 1 1 135 135 ARG C C 135 176.957 176.957 176.266 0.691 19522 9164 1 14 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.866 1.071 19522 9165 1 14 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.137 -2.127 19522 9166 1 14 . 1 1 135 135 ARG H H 135 7.144 7.144 7.896 -0.752 19522 9167 1 14 . 1 1 136 136 ASP N N 136 116.448 116.448 116.356 0.092 19522 9168 1 14 . 1 1 136 136 ASP C C 136 175.339 175.339 176.937 -1.598 19522 9169 1 14 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.398 -1.055 19522 9170 1 14 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.464 -4.866 19522 9171 1 14 . 1 1 136 136 ASP H H 136 8.607 8.607 7.528 1.079 19522 9172 1 14 . 1 1 137 137 GLY N N 137 108.506 108.506 109.714 -1.208 19522 9173 1 14 . 1 1 137 137 GLY C C 137 172.324 172.324 173.703 -1.379 19522 9174 1 14 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.976 -2.181 19522 9175 1 14 . 1 1 137 137 GLY H H 137 7.468 7.468 8.413 -0.945 19522 9176 1 14 . 1 1 138 138 VAL N N 138 120.519 120.519 125.101 -4.582 19522 9177 1 14 . 1 1 138 138 VAL C C 138 174.160 174.160 174.689 -0.529 19522 9178 1 14 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.852 0.041 19522 9179 1 14 . 1 1 138 138 VAL CB C 138 30.808 30.808 30.115 0.693 19522 9180 1 14 . 1 1 138 138 VAL H H 138 8.181 8.181 8.331 -0.150 19522 9181 1 14 . 1 1 139 139 ASN N N 139 115.573 115.573 124.281 -8.708 19522 9182 1 14 . 1 1 139 139 ASN C C 139 174.959 174.959 175.444 -0.485 19522 9183 1 14 . 1 1 139 139 ASN CA C 139 51.025 51.025 52.403 -1.378 19522 9184 1 14 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.448 -1.809 19522 9185 1 14 . 1 1 139 139 ASN H H 139 6.261 6.261 7.782 -1.521 19522 9186 1 14 . 1 1 140 140 TRP N N 140 118.231 118.231 126.387 -8.156 19522 9187 1 14 . 1 1 140 140 TRP C C 140 177.976 177.976 177.596 0.380 19522 9188 1 14 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.347 0.788 19522 9189 1 14 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.280 -0.671 19522 9190 1 14 . 1 1 140 140 TRP H H 140 8.413 8.413 8.956 -0.543 19522 9191 1 14 . 1 1 141 141 GLY N N 141 106.238 106.238 105.897 0.341 19522 9192 1 14 . 1 1 141 141 GLY C C 141 177.297 177.297 175.649 1.648 19522 9193 1 14 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.246 0.225 19522 9194 1 14 . 1 1 141 141 GLY H H 141 8.494 8.494 9.027 -0.533 19522 9195 1 14 . 1 1 142 142 ARG N N 142 121.156 121.156 122.170 -1.014 19522 9196 1 14 . 1 1 142 142 ARG C C 142 177.457 177.457 177.998 -0.541 19522 9197 1 14 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.542 -0.044 19522 9198 1 14 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.130 -0.521 19522 9199 1 14 . 1 1 142 142 ARG H H 142 8.104 8.104 7.483 0.621 19522 9200 1 14 . 1 1 143 143 ILE N N 143 120.888 120.888 120.291 0.597 19522 9201 1 14 . 1 1 143 143 ILE C C 143 177.756 177.756 177.261 0.495 19522 9202 1 14 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.318 1.571 19522 9203 1 14 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.894 -2.291 19522 9204 1 14 . 1 1 143 143 ILE H H 143 7.696 7.696 7.916 -0.220 19522 9205 1 14 . 1 1 144 144 VAL N N 144 120.958 120.958 119.053 1.905 19522 9206 1 14 . 1 1 144 144 VAL C C 144 177.557 177.557 177.626 -0.069 19522 9207 1 14 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.607 0.481 19522 9208 1 14 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.025 0.064 19522 9209 1 14 . 1 1 144 144 VAL H H 144 8.229 8.229 7.435 0.794 19522 9210 1 14 . 1 1 145 145 ALA N N 145 121.229 121.229 122.825 -1.596 19522 9211 1 14 . 1 1 145 145 ALA C C 145 177.999 177.999 178.822 -0.823 19522 9212 1 14 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.887 -0.825 19522 9213 1 14 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.053 -1.070 19522 9214 1 14 . 1 1 145 145 ALA H H 145 7.579 7.579 7.444 0.135 19522 9215 1 14 . 1 1 146 146 PHE N N 146 119.338 119.338 119.874 -0.536 19522 9216 1 14 . 1 1 146 146 PHE C C 146 179.432 179.432 177.114 2.318 19522 9217 1 14 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.688 -0.520 19522 9218 1 14 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.117 -1.254 19522 9219 1 14 . 1 1 146 146 PHE H H 146 7.985 7.985 8.182 -0.197 19522 9220 1 14 . 1 1 147 147 PHE N N 147 119.900 119.900 117.790 2.110 19522 9221 1 14 . 1 1 147 147 PHE C C 147 177.399 177.399 177.585 -0.186 19522 9222 1 14 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.335 -3.216 19522 9223 1 14 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.382 1.056 19522 9224 1 14 . 1 1 147 147 PHE H H 147 7.824 7.824 8.560 -0.736 19522 9225 1 14 . 1 1 148 148 SER N N 148 114.725 114.725 116.308 -1.583 19522 9226 1 14 . 1 1 148 148 SER C C 148 177.357 177.357 176.288 1.069 19522 9227 1 14 . 1 1 148 148 SER CA C 148 63.115 63.115 62.216 0.899 19522 9228 1 14 . 1 1 148 148 SER CB C 148 61.893 61.893 62.386 -0.493 19522 9229 1 14 . 1 1 148 148 SER H H 148 8.423 8.423 8.046 0.377 19522 9230 1 14 . 1 1 149 149 PHE N N 149 124.361 124.361 121.233 3.128 19522 9231 1 14 . 1 1 149 149 PHE C C 149 176.338 176.338 178.093 -1.755 19522 9232 1 14 . 1 1 149 149 PHE CA C 149 59.336 59.336 60.554 -1.218 19522 9233 1 14 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.134 -0.853 19522 9234 1 14 . 1 1 149 149 PHE H H 149 9.097 9.097 8.053 1.044 19522 9235 1 14 . 1 1 150 150 GLY N N 150 105.935 105.935 106.099 -0.164 19522 9236 1 14 . 1 1 150 150 GLY C C 150 176.398 176.398 176.216 0.182 19522 9237 1 14 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.749 0.281 19522 9238 1 14 . 1 1 150 150 GLY H H 150 7.937 7.937 7.909 0.028 19522 9239 1 14 . 1 1 151 151 GLY N N 151 107.449 107.449 110.154 -2.705 19522 9240 1 14 . 1 1 151 151 GLY C C 151 174.300 174.300 175.936 -1.636 19522 9241 1 14 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.834 0.116 19522 9242 1 14 . 1 1 151 151 GLY H H 151 8.803 8.803 8.449 0.354 19522 9243 1 14 . 1 1 152 152 ALA N N 152 124.384 124.384 124.995 -0.611 19522 9244 1 14 . 1 1 152 152 ALA C C 152 177.636 177.636 179.306 -1.670 19522 9245 1 14 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.715 -0.573 19522 9246 1 14 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.417 -1.354 19522 9247 1 14 . 1 1 152 152 ALA H H 152 8.232 8.232 8.031 0.201 19522 9248 1 14 . 1 1 153 153 LEU N N 153 118.871 118.871 120.143 -1.272 19522 9249 1 14 . 1 1 153 153 LEU C C 153 179.937 179.937 178.648 1.289 19522 9250 1 14 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.703 -1.115 19522 9251 1 14 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.674 -1.014 19522 9252 1 14 . 1 1 153 153 LEU H H 153 8.159 8.159 7.975 0.184 19522 9253 1 14 . 1 1 154 154 CYS N N 154 118.554 118.554 118.652 -0.098 19522 9254 1 14 . 1 1 154 154 CYS C C 154 177.332 177.332 176.949 0.383 19522 9255 1 14 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.730 -2.434 19522 9256 1 14 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.071 -0.834 19522 9257 1 14 . 1 1 154 154 CYS H H 154 8.049 8.049 8.488 -0.439 19522 9258 1 14 . 1 1 155 155 VAL N N 155 118.474 118.474 122.129 -3.655 19522 9259 1 14 . 1 1 155 155 VAL C C 155 175.723 175.723 178.460 -2.737 19522 9260 1 14 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.050 -0.921 19522 9261 1 14 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.846 -0.118 19522 9262 1 14 . 1 1 155 155 VAL H H 155 8.016 8.016 7.478 0.538 19522 9263 1 14 . 1 1 156 156 GLU N N 156 119.114 119.114 118.380 0.734 19522 9264 1 14 . 1 1 156 156 GLU C C 156 178.036 178.036 179.068 -1.032 19522 9265 1 14 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.120 3.158 19522 9266 1 14 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.918 -1.466 19522 9267 1 14 . 1 1 156 156 GLU H H 156 8.025 8.025 7.967 0.058 19522 9268 1 14 . 1 1 157 157 SER N N 157 113.391 113.391 116.401 -3.010 19522 9269 1 14 . 1 1 157 157 SER C C 157 175.299 175.299 176.103 -0.804 19522 9270 1 14 . 1 1 157 157 SER CA C 157 62.373 62.373 62.266 0.107 19522 9271 1 14 . 1 1 157 157 SER CB C 157 60.854 60.854 63.320 -2.466 19522 9272 1 14 . 1 1 157 157 SER H H 157 7.629 7.629 7.837 -0.208 19522 9273 1 14 . 1 1 158 158 VAL N N 158 120.493 120.493 121.240 -0.747 19522 9274 1 14 . 1 1 158 158 VAL C C 158 173.977 173.977 177.476 -3.499 19522 9275 1 14 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.391 1.338 19522 9276 1 14 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.034 -1.425 19522 9277 1 14 . 1 1 158 158 VAL H H 158 7.374 7.374 7.530 -0.156 19522 9278 1 14 . 1 1 159 159 ASP N N 159 123.215 123.215 121.892 1.323 19522 9279 1 14 . 1 1 159 159 ASP C C 159 177.696 177.696 177.615 0.081 19522 9280 1 14 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.655 -0.036 19522 9281 1 14 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.992 -1.074 19522 9282 1 14 . 1 1 159 159 ASP H H 159 8.309 8.309 8.341 -0.032 19522 9283 1 14 . 1 1 160 160 LYS N N 160 115.648 115.648 118.114 -2.466 19522 9284 1 14 . 1 1 160 160 LYS C C 160 174.839 174.839 175.526 -0.687 19522 9285 1 14 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.789 -0.688 19522 9286 1 14 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.964 -2.476 19522 9287 1 14 . 1 1 160 160 LYS H H 160 7.541 7.541 7.472 0.069 19522 9288 1 14 . 1 1 161 161 GLU N N 161 113.911 113.911 118.116 -4.205 19522 9289 1 14 . 1 1 161 161 GLU C C 161 175.781 175.781 176.547 -0.766 19522 9290 1 14 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.183 -1.404 19522 9291 1 14 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.083 -3.029 19522 9292 1 14 . 1 1 161 161 GLU H H 161 7.842 7.842 7.912 -0.070 19522 9293 1 14 . 1 1 162 162 MET N N 162 118.882 118.882 116.651 2.231 19522 9294 1 14 . 1 1 162 162 MET C C 162 176.597 176.597 177.325 -0.728 19522 9295 1 14 . 1 1 162 162 MET CA C 162 52.646 52.646 57.375 -4.729 19522 9296 1 14 . 1 1 162 162 MET CB C 162 30.488 30.488 33.951 -3.463 19522 9297 1 14 . 1 1 162 162 MET H H 162 8.420 8.420 8.587 -0.167 19522 9298 1 14 . 1 1 163 163 GLN N N 163 119.366 119.366 117.720 1.646 19522 9299 1 14 . 1 1 163 163 GLN C C 163 177.397 177.397 177.537 -0.140 19522 9300 1 14 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.562 0.614 19522 9301 1 14 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.156 -1.063 19522 9302 1 14 . 1 1 163 163 GLN H H 163 8.615 8.615 8.219 0.396 19522 9303 1 14 . 1 1 164 164 VAL N N 164 116.957 116.957 121.037 -4.080 19522 9304 1 14 . 1 1 164 164 VAL C C 164 175.459 175.459 177.226 -1.767 19522 9305 1 14 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.574 -2.722 19522 9306 1 14 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.375 -1.286 19522 9307 1 14 . 1 1 164 164 VAL H H 164 7.938 7.938 8.137 -0.199 19522 9308 1 14 . 1 1 165 165 LEU N N 165 117.124 117.124 119.956 -2.832 19522 9309 1 14 . 1 1 165 165 LEU C C 165 177.714 177.714 178.425 -0.711 19522 9310 1 14 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.063 -2.380 19522 9311 1 14 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.774 -2.096 19522 9312 1 14 . 1 1 165 165 LEU H H 165 7.741 7.741 7.719 0.022 19522 9313 1 14 . 1 1 166 166 VAL N N 166 119.434 119.434 117.745 1.689 19522 9314 1 14 . 1 1 166 166 VAL C C 166 176.817 176.817 178.033 -1.216 19522 9315 1 14 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.567 1.281 19522 9316 1 14 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.243 -1.873 19522 9317 1 14 . 1 1 166 166 VAL H H 166 7.342 7.342 8.202 -0.860 19522 9318 1 14 . 1 1 167 167 SER N N 167 110.775 110.775 116.213 -5.438 19522 9319 1 14 . 1 1 167 167 SER C C 167 176.737 176.737 176.320 0.417 19522 9320 1 14 . 1 1 167 167 SER CA C 167 60.215 60.215 61.892 -1.677 19522 9321 1 14 . 1 1 167 167 SER CB C 167 61.654 61.654 62.732 -1.078 19522 9322 1 14 . 1 1 167 167 SER H H 167 8.099 8.099 8.526 -0.427 19522 9323 1 14 . 1 1 168 168 ARG N N 168 122.916 122.916 120.027 2.889 19522 9324 1 14 . 1 1 168 168 ARG C C 168 175.439 175.439 177.388 -1.949 19522 9325 1 14 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.794 3.821 19522 9326 1 14 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.159 -2.148 19522 9327 1 14 . 1 1 168 168 ARG H H 168 6.596 6.596 7.588 -0.992 19522 9328 1 14 . 1 1 169 169 ILE N N 169 118.335 118.335 121.026 -2.691 19522 9329 1 14 . 1 1 169 169 ILE C C 169 177.779 177.779 177.596 0.183 19522 9330 1 14 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.636 -1.505 19522 9331 1 14 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.700 -0.739 19522 9332 1 14 . 1 1 169 169 ILE H H 169 7.928 7.928 8.031 -0.103 19522 9333 1 14 . 1 1 170 170 ALA N N 170 119.271 119.271 121.014 -1.743 19522 9334 1 14 . 1 1 170 170 ALA C C 170 179.195 179.195 179.058 0.137 19522 9335 1 14 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.419 -1.517 19522 9336 1 14 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.811 -0.987 19522 9337 1 14 . 1 1 170 170 ALA H H 170 7.672 7.672 8.114 -0.443 19522 9338 1 14 . 1 1 171 171 ALA N N 171 120.393 120.393 121.889 -1.496 19522 9339 1 14 . 1 1 171 171 ALA C C 171 180.833 180.833 179.627 1.206 19522 9340 1 14 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.497 -0.355 19522 9341 1 14 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.714 -1.210 19522 9342 1 14 . 1 1 171 171 ALA H H 171 7.258 7.258 7.449 -0.191 19522 9343 1 14 . 1 1 172 172 TRP N N 172 121.501 121.501 118.536 2.965 19522 9344 1 14 . 1 1 172 172 TRP C C 172 179.350 179.350 178.453 0.897 19522 9345 1 14 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.906 -1.887 19522 9346 1 14 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.534 -1.242 19522 9347 1 14 . 1 1 172 172 TRP H H 172 8.936 8.936 7.519 1.417 19522 9348 1 14 . 1 1 173 173 MET N N 173 117.211 117.211 119.716 -2.505 19522 9349 1 14 . 1 1 173 173 MET C C 173 176.158 176.158 178.279 -2.121 19522 9350 1 14 . 1 1 173 173 MET CA C 173 60.238 60.238 59.212 1.026 19522 9351 1 14 . 1 1 173 173 MET CB C 173 28.833 28.833 32.926 -4.093 19522 9352 1 14 . 1 1 173 173 MET H H 173 8.885 8.885 8.571 0.314 19522 9353 1 14 . 1 1 174 174 ALA N N 174 120.901 120.901 120.539 0.362 19522 9354 1 14 . 1 1 174 174 ALA C C 174 178.875 178.875 179.517 -0.642 19522 9355 1 14 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.461 -0.600 19522 9356 1 14 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.011 -1.323 19522 9357 1 14 . 1 1 174 174 ALA H H 174 8.206 8.206 8.337 -0.131 19522 9358 1 14 . 1 1 175 175 THR N N 175 116.591 116.591 117.182 -0.591 19522 9359 1 14 . 1 1 175 175 THR C C 175 174.782 174.782 176.689 -1.907 19522 9360 1 14 . 1 1 175 175 THR CA C 175 66.209 66.209 66.893 -0.684 19522 9361 1 14 . 1 1 175 175 THR CB C 175 68.046 68.046 68.674 -0.628 19522 9362 1 14 . 1 1 175 175 THR H H 175 8.530 8.530 7.677 0.853 19522 9363 1 14 . 1 1 176 176 TYR N N 176 123.375 123.375 122.942 0.433 19522 9364 1 14 . 1 1 176 176 TYR C C 176 179.255 179.255 177.280 1.975 19522 9365 1 14 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.891 1.482 19522 9366 1 14 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.792 -0.929 19522 9367 1 14 . 1 1 176 176 TYR H H 176 8.822 8.822 8.175 0.647 19522 9368 1 14 . 1 1 177 177 LEU N N 177 119.511 119.511 121.965 -2.454 19522 9369 1 14 . 1 1 177 177 LEU C C 177 177.979 177.979 178.327 -0.348 19522 9370 1 14 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.543 -0.086 19522 9371 1 14 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.759 -0.483 19522 9372 1 14 . 1 1 177 177 LEU H H 177 8.759 8.759 8.604 0.155 19522 9373 1 14 . 1 1 178 178 ASN N N 178 117.233 117.233 116.339 0.894 19522 9374 1 14 . 1 1 178 178 ASN C C 178 176.021 176.021 176.741 -0.720 19522 9375 1 14 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.964 -0.121 19522 9376 1 14 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.408 -0.305 19522 9377 1 14 . 1 1 178 178 ASN H H 178 8.333 8.333 7.838 0.495 19522 9378 1 14 . 1 1 179 179 ASP N N 179 115.264 115.264 118.653 -3.389 19522 9379 1 14 . 1 1 179 179 ASP C C 179 177.557 177.557 176.700 0.857 19522 9380 1 14 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.279 -0.378 19522 9381 1 14 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.444 -2.165 19522 9382 1 14 . 1 1 179 179 ASP H H 179 8.451 8.451 7.807 0.644 19522 9383 1 14 . 1 1 180 180 HIS N N 180 111.728 111.728 115.621 -3.893 19522 9384 1 14 . 1 1 180 180 HIS C C 180 175.479 175.479 176.451 -0.972 19522 9385 1 14 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.884 -1.463 19522 9386 1 14 . 1 1 180 180 HIS CB C 180 29.609 29.609 31.715 -2.106 19522 9387 1 14 . 1 1 180 180 HIS H H 180 8.073 8.073 7.837 0.236 19522 9388 1 14 . 1 1 181 181 LEU N N 181 116.833 116.833 121.647 -4.814 19522 9389 1 14 . 1 1 181 181 LEU C C 181 176.160 176.160 178.573 -2.413 19522 9390 1 14 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.953 -3.932 19522 9391 1 14 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.937 -0.181 19522 9392 1 14 . 1 1 181 181 LEU H H 181 7.183 7.183 7.725 -0.542 19522 9393 1 14 . 1 1 182 182 GLU N N 182 121.364 121.364 118.283 3.081 19522 9394 1 14 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.642 -0.628 19522 9395 1 14 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.628 -1.672 19522 9396 1 14 . 1 1 182 182 GLU H H 182 8.596 8.596 8.778 -0.182 19522 9397 1 14 . 1 1 184 184 TRP N N 184 117.804 117.804 119.395 -1.591 19522 9398 1 14 . 1 1 184 184 TRP C C 184 179.217 179.217 177.580 1.637 19522 9399 1 14 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.003 6.669 19522 9400 1 14 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.371 -1.298 19522 9401 1 14 . 1 1 184 184 TRP H H 184 7.070 7.070 7.762 -0.692 19522 9402 1 14 . 1 1 185 185 ILE N N 185 121.825 121.825 119.609 2.216 19522 9403 1 14 . 1 1 185 185 ILE C C 185 178.655 178.655 178.462 0.193 19522 9404 1 14 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.062 0.210 19522 9405 1 14 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.846 -1.901 19522 9406 1 14 . 1 1 185 185 ILE H H 185 8.396 8.396 8.567 -0.171 19522 9407 1 14 . 1 1 186 186 GLN N N 186 116.489 116.489 116.157 0.332 19522 9408 1 14 . 1 1 186 186 GLN C C 186 179.035 179.035 176.348 2.687 19522 9409 1 14 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.267 0.550 19522 9410 1 14 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.807 -0.994 19522 9411 1 14 . 1 1 186 186 GLN H H 186 8.374 8.374 7.762 0.612 19522 9412 1 14 . 1 1 187 187 GLU N N 187 118.764 118.764 119.109 -0.345 19522 9413 1 14 . 1 1 187 187 GLU C C 187 176.458 176.458 177.271 -0.813 19522 9414 1 14 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.605 0.414 19522 9415 1 14 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.987 -2.576 19522 9416 1 14 . 1 1 187 187 GLU H H 187 7.515 7.515 7.662 -0.147 19522 9417 1 14 . 1 1 188 188 ASN N N 188 116.561 116.561 116.932 -0.371 19522 9418 1 14 . 1 1 188 188 ASN C C 188 173.620 173.620 174.561 -0.941 19522 9419 1 14 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.197 -0.334 19522 9420 1 14 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.930 -3.209 19522 9421 1 14 . 1 1 188 188 ASN H H 188 7.092 7.092 7.904 -0.812 19522 9422 1 14 . 1 1 189 189 GLY N N 189 104.897 104.897 105.219 -0.322 19522 9423 1 14 . 1 1 189 189 GLY C C 189 175.658 175.658 172.718 2.940 19522 9424 1 14 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.507 0.285 19522 9425 1 14 . 1 1 189 189 GLY H H 189 7.339 7.339 7.239 0.100 19522 9426 1 14 . 1 1 190 190 GLY N N 190 108.292 108.292 107.621 0.671 19522 9427 1 14 . 1 1 190 190 GLY C C 190 173.021 173.021 174.780 -1.759 19522 9428 1 14 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.200 -1.846 19522 9429 1 14 . 1 1 190 190 GLY H H 190 8.462 8.462 9.143 -0.681 19522 9430 1 14 . 1 1 191 191 TRP N N 191 118.031 118.031 121.494 -3.463 19522 9431 1 14 . 1 1 191 191 TRP C C 191 178.136 178.136 177.143 0.993 19522 9432 1 14 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.040 -0.624 19522 9433 1 14 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.042 -0.392 19522 9434 1 14 . 1 1 191 191 TRP H H 191 8.673 8.673 8.293 0.380 19522 9435 1 14 . 1 1 192 192 ASP N N 192 117.298 117.298 119.139 -1.841 19522 9436 1 14 . 1 1 192 192 ASP C C 192 179.058 179.058 177.760 1.298 19522 9437 1 14 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.454 0.405 19522 9438 1 14 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.570 -0.291 19522 9439 1 14 . 1 1 192 192 ASP H H 192 8.846 8.846 8.039 0.807 19522 9440 1 14 . 1 1 193 193 THR N N 193 116.061 116.061 114.097 1.964 19522 9441 1 14 . 1 1 193 193 THR C C 193 174.979 174.979 176.130 -1.151 19522 9442 1 14 . 1 1 193 193 THR CA C 193 65.649 65.649 64.464 1.185 19522 9443 1 14 . 1 1 193 193 THR CB C 193 67.327 67.327 68.378 -1.051 19522 9444 1 14 . 1 1 193 193 THR H H 193 7.431 7.431 7.348 0.083 19522 9445 1 14 . 1 1 194 194 PHE N N 194 121.789 121.789 123.087 -1.298 19522 9446 1 14 . 1 1 194 194 PHE C C 194 176.418 176.418 176.810 -0.392 19522 9447 1 14 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.030 -0.016 19522 9448 1 14 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.286 -2.405 19522 9449 1 14 . 1 1 194 194 PHE H H 194 6.527 6.527 8.075 -1.548 19522 9450 1 14 . 1 1 195 195 VAL N N 195 116.988 116.988 117.604 -0.616 19522 9451 1 14 . 1 1 195 195 VAL C C 195 178.078 178.078 178.107 -0.029 19522 9452 1 14 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.396 -0.644 19522 9453 1 14 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.546 -0.058 19522 9454 1 14 . 1 1 195 195 VAL H H 195 7.747 7.747 8.136 -0.389 19522 9455 1 14 . 1 1 196 196 GLU N N 196 120.171 120.171 119.607 0.564 19522 9456 1 14 . 1 1 196 196 GLU C C 196 177.976 177.976 178.526 -0.550 19522 9457 1 14 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.152 -0.832 19522 9458 1 14 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.096 -0.423 19522 9459 1 14 . 1 1 196 196 GLU H H 196 7.497 7.497 7.747 -0.250 19522 9460 1 14 . 1 1 197 197 LEU N N 197 117.210 117.210 113.914 3.296 19522 9461 1 14 . 1 1 197 197 LEU C C 197 178.376 178.376 177.583 0.793 19522 9462 1 14 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.872 0.028 19522 9463 1 14 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.731 0.664 19522 9464 1 14 . 1 1 197 197 LEU H H 197 7.626 7.626 7.400 0.226 19522 9465 1 14 . 1 1 198 198 TYR N N 198 115.681 115.681 120.761 -5.080 19522 9466 1 14 . 1 1 198 198 TYR C C 198 176.577 176.577 176.793 -0.216 19522 9467 1 14 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.686 -1.309 19522 9468 1 14 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.418 -1.897 19522 9469 1 14 . 1 1 198 198 TYR H H 198 8.081 8.081 7.512 0.569 19522 9470 1 14 . 1 1 199 199 GLY N N 199 108.201 108.201 105.623 2.578 19522 9471 1 14 . 1 1 199 199 GLY C C 199 173.640 173.640 175.260 -1.620 19522 9472 1 14 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.003 -0.450 19522 9473 1 14 . 1 1 199 199 GLY H H 199 8.032 8.032 8.014 0.018 19522 9474 1 14 . 1 1 200 200 ASN N N 200 118.385 118.385 119.887 -1.502 19522 9475 1 14 . 1 1 200 200 ASN C C 200 175.081 175.081 173.804 1.277 19522 9476 1 14 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.771 0.013 19522 9477 1 14 . 1 1 200 200 ASN CB C 200 37.441 37.441 38.243 -0.802 19522 9478 1 14 . 1 1 200 200 ASN H H 200 8.300 8.300 8.190 0.110 19522 9479 1 15 . 1 1 5 5 SER N N 5 116.171 116.171 120.484 -4.313 19522 9480 1 15 . 1 1 5 5 SER C C 5 174.320 174.320 174.618 -0.298 19522 9481 1 15 . 1 1 5 5 SER CA C 5 57.898 57.898 58.331 -0.433 19522 9482 1 15 . 1 1 5 5 SER CB C 5 62.533 62.533 63.552 -1.019 19522 9483 1 15 . 1 1 5 5 SER H H 5 8.224 8.224 8.975 -0.751 19522 9484 1 15 . 1 1 6 6 GLN N N 6 122.369 122.369 118.790 3.579 19522 9485 1 15 . 1 1 6 6 GLN C C 6 176.418 176.418 176.095 0.323 19522 9486 1 15 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.137 -0.237 19522 9487 1 15 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.800 1.010 19522 9488 1 15 . 1 1 6 6 GLN H H 6 8.337 8.337 8.620 -0.283 19522 9489 1 15 . 1 1 7 7 SER N N 7 116.584 116.584 115.354 1.230 19522 9490 1 15 . 1 1 7 7 SER C C 7 175.859 175.859 176.001 -0.142 19522 9491 1 15 . 1 1 7 7 SER CA C 7 56.260 56.260 60.976 -4.716 19522 9492 1 15 . 1 1 7 7 SER CB C 7 61.916 61.916 62.833 -0.917 19522 9493 1 15 . 1 1 7 7 SER H H 7 8.221 8.221 9.012 -0.791 19522 9494 1 15 . 1 1 8 8 ASN N N 8 119.373 119.373 120.602 -1.229 19522 9495 1 15 . 1 1 8 8 ASN C C 8 177.259 177.259 177.204 0.055 19522 9496 1 15 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.948 -2.741 19522 9497 1 15 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.296 -1.632 19522 9498 1 15 . 1 1 8 8 ASN H H 8 8.375 8.375 7.918 0.457 19522 9499 1 15 . 1 1 9 9 ARG N N 9 119.039 119.039 121.311 -2.272 19522 9500 1 15 . 1 1 9 9 ARG C C 9 176.977 176.977 178.545 -1.568 19522 9501 1 15 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.164 -1.158 19522 9502 1 15 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.193 1.117 19522 9503 1 15 . 1 1 9 9 ARG H H 9 7.815 7.815 8.679 -0.864 19522 9504 1 15 . 1 1 10 10 GLU N N 10 117.158 117.158 119.928 -2.770 19522 9505 1 15 . 1 1 10 10 GLU C C 10 179.475 179.475 179.130 0.345 19522 9506 1 15 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.311 -3.814 19522 9507 1 15 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.155 -0.162 19522 9508 1 15 . 1 1 10 10 GLU H H 10 7.949 7.949 8.321 -0.372 19522 9509 1 15 . 1 1 11 11 LEU N N 11 119.880 119.880 120.406 -0.526 19522 9510 1 15 . 1 1 11 11 LEU C C 11 178.096 178.096 178.917 -0.821 19522 9511 1 15 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.807 -0.606 19522 9512 1 15 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.344 -1.426 19522 9513 1 15 . 1 1 11 11 LEU H H 11 7.807 7.807 7.587 0.220 19522 9514 1 15 . 1 1 12 12 VAL N N 12 117.702 117.702 119.560 -1.858 19522 9515 1 15 . 1 1 12 12 VAL C C 12 176.377 176.377 178.432 -2.055 19522 9516 1 15 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.049 0.039 19522 9517 1 15 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.151 -0.183 19522 9518 1 15 . 1 1 12 12 VAL H H 12 7.690 7.690 8.032 -0.342 19522 9519 1 15 . 1 1 13 13 VAL N N 13 116.258 116.258 115.605 0.653 19522 9520 1 15 . 1 1 13 13 VAL C C 13 178.416 178.416 177.140 1.276 19522 9521 1 15 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.714 0.198 19522 9522 1 15 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.734 -2.141 19522 9523 1 15 . 1 1 13 13 VAL H H 13 8.225 8.225 7.864 0.361 19522 9524 1 15 . 1 1 14 14 ASP N N 14 120.362 120.362 122.257 -1.895 19522 9525 1 15 . 1 1 14 14 ASP C C 14 177.040 177.040 177.737 -0.697 19522 9526 1 15 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.365 0.613 19522 9527 1 15 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.203 1.055 19522 9528 1 15 . 1 1 14 14 ASP H H 14 7.967 7.967 7.878 0.089 19522 9529 1 15 . 1 1 15 15 PHE N N 15 119.747 119.747 120.469 -0.722 19522 9530 1 15 . 1 1 15 15 PHE C C 15 177.876 177.876 177.297 0.579 19522 9531 1 15 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.172 1.303 19522 9532 1 15 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.061 -0.479 19522 9533 1 15 . 1 1 15 15 PHE H H 15 8.308 8.308 8.361 -0.053 19522 9534 1 15 . 1 1 16 16 LEU N N 16 116.203 116.203 119.815 -3.612 19522 9535 1 15 . 1 1 16 16 LEU C C 16 175.618 175.618 178.384 -2.766 19522 9536 1 15 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.249 -0.671 19522 9537 1 15 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.759 -1.419 19522 9538 1 15 . 1 1 16 16 LEU H H 16 8.718 8.718 7.924 0.794 19522 9539 1 15 . 1 1 17 17 SER N N 17 113.607 113.607 115.144 -1.537 19522 9540 1 15 . 1 1 17 17 SER C C 17 176.980 176.980 176.403 0.577 19522 9541 1 15 . 1 1 17 17 SER CA C 17 62.150 62.150 62.241 -0.091 19522 9542 1 15 . 1 1 17 17 SER CB C 17 60.854 60.854 62.911 -2.058 19522 9543 1 15 . 1 1 17 17 SER H H 17 8.338 8.338 7.983 0.355 19522 9544 1 15 . 1 1 18 18 TYR N N 18 124.591 124.591 122.368 2.223 19522 9545 1 15 . 1 1 18 18 TYR C C 18 177.996 177.996 176.923 1.073 19522 9546 1 15 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.848 -1.569 19522 9547 1 15 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.368 -2.023 19522 9548 1 15 . 1 1 18 18 TYR H H 18 8.228 8.228 8.225 0.003 19522 9549 1 15 . 1 1 19 19 LYS N N 19 119.761 119.761 118.194 1.567 19522 9550 1 15 . 1 1 19 19 LYS C C 19 179.841 179.841 178.381 1.460 19522 9551 1 15 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.327 -1.244 19522 9552 1 15 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.399 -3.749 19522 9553 1 15 . 1 1 19 19 LYS H H 19 8.230 8.230 7.282 0.948 19522 9554 1 15 . 1 1 20 20 LEU N N 20 118.077 118.077 119.808 -1.731 19522 9555 1 15 . 1 1 20 20 LEU C C 20 179.654 179.654 177.000 2.654 19522 9556 1 15 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.742 1.236 19522 9557 1 15 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.758 -2.320 19522 9558 1 15 . 1 1 20 20 LEU H H 20 8.534 8.534 8.065 0.469 19522 9559 1 15 . 1 1 21 21 SER N N 21 117.073 117.073 110.963 6.110 19522 9560 1 15 . 1 1 21 21 SER C C 21 178.204 178.204 174.078 4.126 19522 9561 1 15 . 1 1 21 21 SER CA C 21 60.375 60.375 57.447 2.928 19522 9562 1 15 . 1 1 21 21 SER CB C 21 61.836 61.836 62.367 -0.531 19522 9563 1 15 . 1 1 21 21 SER H H 21 8.239 8.239 7.321 0.918 19522 9564 1 15 . 1 1 22 22 GLN N N 22 122.767 122.767 120.995 1.772 19522 9565 1 15 . 1 1 22 22 GLN C C 22 176.997 176.997 175.922 1.075 19522 9566 1 15 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.828 -0.250 19522 9567 1 15 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.584 -2.452 19522 9568 1 15 . 1 1 22 22 GLN H H 22 7.632 7.632 7.630 0.002 19522 9569 1 15 . 1 1 23 23 LYS N N 23 116.016 116.016 118.759 -2.743 19522 9570 1 15 . 1 1 23 23 LYS C C 23 175.419 175.419 175.112 0.307 19522 9571 1 15 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.252 -3.309 19522 9572 1 15 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.529 -2.481 19522 9573 1 15 . 1 1 23 23 LYS H H 23 7.167 7.167 8.179 -1.012 19522 9574 1 15 . 1 1 24 24 GLY N N 24 105.329 105.329 110.987 -5.658 19522 9575 1 15 . 1 1 24 24 GLY C C 24 173.680 173.680 173.645 0.035 19522 9576 1 15 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.998 -0.685 19522 9577 1 15 . 1 1 24 24 GLY H H 24 7.504 7.504 8.445 -0.941 19522 9578 1 15 . 1 1 25 25 TYR N N 25 119.528 119.528 117.050 2.478 19522 9579 1 15 . 1 1 25 25 TYR C C 25 174.779 174.779 174.479 0.300 19522 9580 1 15 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.745 2.016 19522 9581 1 15 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.121 1.180 19522 9582 1 15 . 1 1 25 25 TYR H H 25 7.817 7.817 7.825 -0.008 19522 9583 1 15 . 1 1 26 26 SER N N 26 115.815 115.815 122.488 -6.673 19522 9584 1 15 . 1 1 26 26 SER C C 26 173.860 173.860 176.027 -2.167 19522 9585 1 15 . 1 1 26 26 SER CA C 26 56.083 56.083 57.564 -1.481 19522 9586 1 15 . 1 1 26 26 SER CB C 26 63.275 63.275 63.621 -0.346 19522 9587 1 15 . 1 1 26 26 SER H H 26 8.475 8.475 8.189 0.286 19522 9588 1 15 . 1 1 27 27 TRP N N 27 126.476 126.476 121.925 4.551 19522 9589 1 15 . 1 1 27 27 TRP C C 27 174.141 174.141 177.577 -3.436 19522 9590 1 15 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.736 -0.336 19522 9591 1 15 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.018 0.192 19522 9592 1 15 . 1 1 27 27 TRP H H 27 8.720 8.720 7.786 0.934 19522 9593 1 15 . 1 1 28 28 SER N N 28 114.011 114.011 114.715 -0.704 19522 9594 1 15 . 1 1 28 28 SER C C 28 172.859 172.859 175.520 -2.661 19522 9595 1 15 . 1 1 28 28 SER CA C 28 66.186 66.186 60.419 5.768 19522 9596 1 15 . 1 1 28 28 SER CB C 28 61.996 61.996 62.444 -0.449 19522 9597 1 15 . 1 1 28 28 SER H H 28 8.034 8.034 7.884 0.150 19522 9598 1 15 . 1 1 29 29 GLN N N 29 120.138 120.138 120.963 -0.825 19522 9599 1 15 . 1 1 29 29 GLN C C 29 177.250 177.250 176.738 0.512 19522 9600 1 15 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.995 -2.825 19522 9601 1 15 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.024 -0.685 19522 9602 1 15 . 1 1 29 29 GLN H H 29 7.323 7.323 7.741 -0.418 19522 9603 1 15 . 1 1 30 30 PHE N N 30 113.775 113.775 118.036 -4.261 19522 9604 1 15 . 1 1 30 30 PHE C C 30 176.814 176.814 176.016 0.798 19522 9605 1 15 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.638 -2.475 19522 9606 1 15 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.764 -1.924 19522 9607 1 15 . 1 1 30 30 PHE H H 30 6.778 6.778 7.674 -0.896 19522 9608 1 15 . 1 1 87 87 ALA N N 87 124.732 124.732 124.299 0.433 19522 9609 1 15 . 1 1 87 87 ALA C C 87 175.941 175.941 176.912 -0.971 19522 9610 1 15 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.340 -2.490 19522 9611 1 15 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.371 -1.805 19522 9612 1 15 . 1 1 87 87 ALA H H 87 8.079 8.079 8.898 -0.819 19522 9613 1 15 . 1 1 88 88 ALA N N 88 121.664 121.664 120.034 1.630 19522 9614 1 15 . 1 1 88 88 ALA C C 88 177.523 177.523 177.801 -0.278 19522 9615 1 15 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.335 3.816 19522 9616 1 15 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.088 0.375 19522 9617 1 15 . 1 1 88 88 ALA H H 88 7.951 7.951 7.711 0.240 19522 9618 1 15 . 1 1 89 89 VAL N N 89 119.415 119.415 119.166 0.249 19522 9619 1 15 . 1 1 89 89 VAL C C 89 176.857 176.857 176.771 0.086 19522 9620 1 15 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.240 -4.404 19522 9621 1 15 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.386 -0.315 19522 9622 1 15 . 1 1 89 89 VAL H H 89 8.161 8.161 8.317 -0.156 19522 9623 1 15 . 1 1 90 90 LYS N N 90 121.221 121.221 119.171 2.050 19522 9624 1 15 . 1 1 90 90 LYS C C 90 175.559 175.559 178.485 -2.926 19522 9625 1 15 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.346 -3.263 19522 9626 1 15 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.583 -2.670 19522 9627 1 15 . 1 1 90 90 LYS H H 90 8.529 8.529 8.378 0.151 19522 9628 1 15 . 1 1 91 91 GLN N N 91 115.879 115.879 118.687 -2.808 19522 9629 1 15 . 1 1 91 91 GLN C C 91 176.950 176.950 178.024 -1.074 19522 9630 1 15 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.630 -0.709 19522 9631 1 15 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.996 -0.761 19522 9632 1 15 . 1 1 91 91 GLN H H 91 7.973 7.973 7.965 0.008 19522 9633 1 15 . 1 1 92 92 ALA N N 92 119.538 119.538 123.729 -4.191 19522 9634 1 15 . 1 1 92 92 ALA C C 92 179.537 179.537 179.845 -0.308 19522 9635 1 15 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.417 -1.172 19522 9636 1 15 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.298 -1.531 19522 9637 1 15 . 1 1 92 92 ALA H H 92 7.661 7.661 8.503 -0.842 19522 9638 1 15 . 1 1 93 93 LEU N N 93 120.236 120.236 118.558 1.678 19522 9639 1 15 . 1 1 93 93 LEU C C 93 179.075 179.075 179.202 -0.127 19522 9640 1 15 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.241 0.546 19522 9641 1 15 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.423 0.134 19522 9642 1 15 . 1 1 93 93 LEU H H 93 8.544 8.544 8.138 0.406 19522 9643 1 15 . 1 1 94 94 ARG N N 94 118.361 118.361 120.644 -2.283 19522 9644 1 15 . 1 1 94 94 ARG C C 94 178.396 178.396 178.553 -0.157 19522 9645 1 15 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.719 0.017 19522 9646 1 15 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.754 -1.663 19522 9647 1 15 . 1 1 94 94 ARG H H 94 8.057 8.057 7.956 0.101 19522 9648 1 15 . 1 1 95 95 GLU N N 95 115.851 115.851 118.978 -3.127 19522 9649 1 15 . 1 1 95 95 GLU C C 95 179.794 179.794 179.153 0.641 19522 9650 1 15 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.689 -1.472 19522 9651 1 15 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.542 -1.451 19522 9652 1 15 . 1 1 95 95 GLU H H 95 7.737 7.737 8.539 -0.802 19522 9653 1 15 . 1 1 96 96 ALA N N 96 122.958 122.958 121.075 1.883 19522 9654 1 15 . 1 1 96 96 ALA C C 96 181.313 181.313 179.894 1.419 19522 9655 1 15 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.773 -0.471 19522 9656 1 15 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.606 -0.903 19522 9657 1 15 . 1 1 96 96 ALA H H 96 8.824 8.824 7.901 0.923 19522 9658 1 15 . 1 1 97 97 GLY N N 97 108.363 108.363 107.649 0.714 19522 9659 1 15 . 1 1 97 97 GLY C C 97 178.177 178.177 176.235 1.942 19522 9660 1 15 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.454 -1.463 19522 9661 1 15 . 1 1 97 97 GLY H H 97 9.088 9.088 8.472 0.616 19522 9662 1 15 . 1 1 98 98 ASP N N 98 122.197 122.197 121.689 0.508 19522 9663 1 15 . 1 1 98 98 ASP C C 98 178.715 178.715 178.851 -0.136 19522 9664 1 15 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.654 -0.635 19522 9665 1 15 . 1 1 98 98 ASP CB C 98 38.479 38.479 41.002 -2.523 19522 9666 1 15 . 1 1 98 98 ASP H H 98 8.102 8.102 8.671 -0.569 19522 9667 1 15 . 1 1 99 99 GLU N N 99 120.103 120.103 119.285 0.818 19522 9668 1 15 . 1 1 99 99 GLU C C 99 179.513 179.513 178.984 0.529 19522 9669 1 15 . 1 1 99 99 GLU CA C 99 53.752 53.752 58.765 -5.013 19522 9670 1 15 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.830 -1.339 19522 9671 1 15 . 1 1 99 99 GLU H H 99 8.115 8.115 7.870 0.245 19522 9672 1 15 . 1 1 100 100 PHE N N 100 120.218 120.218 120.096 0.122 19522 9673 1 15 . 1 1 100 100 PHE C C 100 178.618 178.618 177.606 1.012 19522 9674 1 15 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.349 -3.889 19522 9675 1 15 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.924 0.412 19522 9676 1 15 . 1 1 100 100 PHE H H 100 8.535 8.535 8.277 0.258 19522 9677 1 15 . 1 1 101 101 GLU N N 101 117.531 117.531 120.740 -3.209 19522 9678 1 15 . 1 1 101 101 GLU C C 101 177.339 177.339 179.006 -1.667 19522 9679 1 15 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.066 -2.465 19522 9680 1 15 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.781 -1.188 19522 9681 1 15 . 1 1 101 101 GLU H H 101 8.032 8.032 8.602 -0.570 19522 9682 1 15 . 1 1 102 102 LEU N N 102 116.641 116.641 116.086 0.555 19522 9683 1 15 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.881 -1.293 19522 9684 1 15 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.602 -0.829 19522 9685 1 15 . 1 1 102 102 LEU H H 102 7.369 7.369 7.631 -0.262 19522 9686 1 15 . 1 1 103 103 ARG N N 103 115.854 115.854 118.127 -2.273 19522 9687 1 15 . 1 1 103 103 ARG C C 103 177.605 177.605 177.645 -0.040 19522 9688 1 15 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.209 0.778 19522 9689 1 15 . 1 1 103 103 ARG CB C 103 31.150 31.150 30.990 0.160 19522 9690 1 15 . 1 1 103 103 ARG H H 103 7.472 7.472 7.677 -0.205 19522 9691 1 15 . 1 1 104 104 TYR N N 104 119.078 119.078 119.365 -0.287 19522 9692 1 15 . 1 1 104 104 TYR C C 104 174.962 174.962 177.080 -2.118 19522 9693 1 15 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.059 -0.218 19522 9694 1 15 . 1 1 104 104 TYR CB C 104 36.628 36.628 39.063 -2.435 19522 9695 1 15 . 1 1 104 104 TYR H H 104 7.904 7.904 7.895 0.009 19522 9696 1 15 . 1 1 105 105 ARG N N 105 119.378 119.378 118.437 0.941 19522 9697 1 15 . 1 1 105 105 ARG C C 105 178.395 178.395 176.990 1.405 19522 9698 1 15 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.687 1.234 19522 9699 1 15 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.081 -1.286 19522 9700 1 15 . 1 1 105 105 ARG H H 105 7.195 7.195 8.376 -1.181 19522 9701 1 15 . 1 1 106 106 ARG N N 106 118.875 118.875 119.601 -0.726 19522 9702 1 15 . 1 1 106 106 ARG C C 106 177.257 177.257 176.386 0.871 19522 9703 1 15 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.575 1.340 19522 9704 1 15 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.415 -2.861 19522 9705 1 15 . 1 1 106 106 ARG H H 106 8.452 8.452 7.717 0.735 19522 9706 1 15 . 1 1 107 107 ALA N N 107 121.864 121.864 122.147 -0.283 19522 9707 1 15 . 1 1 107 107 ALA C C 107 175.701 175.701 177.127 -1.426 19522 9708 1 15 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.123 0.521 19522 9709 1 15 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.047 0.017 19522 9710 1 15 . 1 1 107 107 ALA H H 107 7.839 7.839 7.967 -0.128 19522 9711 1 15 . 1 1 108 108 PHE N N 108 121.984 121.984 119.299 2.685 19522 9712 1 15 . 1 1 108 108 PHE C C 108 174.982 174.982 174.988 -0.006 19522 9713 1 15 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.252 -0.210 19522 9714 1 15 . 1 1 108 108 PHE CB C 108 39.838 39.838 39.762 0.076 19522 9715 1 15 . 1 1 108 108 PHE H H 108 8.392 8.392 7.606 0.786 19522 9716 1 15 . 1 1 109 109 SER N N 109 114.585 114.585 116.157 -1.572 19522 9717 1 15 . 1 1 109 109 SER C C 109 175.421 175.421 175.408 0.013 19522 9718 1 15 . 1 1 109 109 SER CA C 109 55.044 55.044 57.206 -2.162 19522 9719 1 15 . 1 1 109 109 SER CB C 109 63.241 63.241 64.910 -1.669 19522 9720 1 15 . 1 1 109 109 SER H H 109 7.810 7.810 7.544 0.266 19522 9721 1 15 . 1 1 110 110 ASP N N 110 119.725 119.725 122.300 -2.575 19522 9722 1 15 . 1 1 110 110 ASP C C 110 178.196 178.196 178.475 -0.279 19522 9723 1 15 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.484 -1.504 19522 9724 1 15 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.395 -2.555 19522 9725 1 15 . 1 1 110 110 ASP H H 110 8.380 8.380 8.630 -0.250 19522 9726 1 15 . 1 1 111 111 LEU N N 111 120.827 120.827 120.090 0.737 19522 9727 1 15 . 1 1 111 111 LEU C C 111 178.804 178.804 178.285 0.519 19522 9728 1 15 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.119 -1.020 19522 9729 1 15 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.925 -1.128 19522 9730 1 15 . 1 1 111 111 LEU H H 111 7.783 7.783 8.180 -0.397 19522 9731 1 15 . 1 1 112 112 THR N N 112 109.101 109.101 113.517 -4.416 19522 9732 1 15 . 1 1 112 112 THR C C 112 177.157 177.157 177.082 0.075 19522 9733 1 15 . 1 1 112 112 THR CA C 112 64.690 64.690 66.206 -1.516 19522 9734 1 15 . 1 1 112 112 THR CB C 112 67.407 67.407 68.219 -0.812 19522 9735 1 15 . 1 1 112 112 THR H H 112 8.331 8.331 7.879 0.452 19522 9736 1 15 . 1 1 113 113 SER N N 113 115.811 115.811 118.126 -2.315 19522 9737 1 15 . 1 1 113 113 SER C C 113 175.319 175.319 176.448 -1.129 19522 9738 1 15 . 1 1 113 113 SER CA C 113 59.736 59.736 60.731 -0.995 19522 9739 1 15 . 1 1 113 113 SER CB C 113 62.213 62.213 62.897 -0.684 19522 9740 1 15 . 1 1 113 113 SER H H 113 7.645 7.645 7.626 0.019 19522 9741 1 15 . 1 1 114 114 GLN N N 114 118.421 118.421 122.523 -4.102 19522 9742 1 15 . 1 1 114 114 GLN C C 114 175.978 175.978 177.838 -1.860 19522 9743 1 15 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.404 -1.945 19522 9744 1 15 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.450 -0.438 19522 9745 1 15 . 1 1 114 114 GLN H H 114 7.614 7.614 8.030 -0.416 19522 9746 1 15 . 1 1 115 115 LEU N N 115 118.236 118.236 117.843 0.393 19522 9747 1 15 . 1 1 115 115 LEU C C 115 176.198 176.198 177.368 -1.170 19522 9748 1 15 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.995 -1.191 19522 9749 1 15 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.724 -0.169 19522 9750 1 15 . 1 1 115 115 LEU H H 115 7.383 7.383 8.258 -0.875 19522 9751 1 15 . 1 1 116 116 HIS N N 116 119.694 119.694 116.060 3.634 19522 9752 1 15 . 1 1 116 116 HIS C C 116 174.122 174.122 174.271 -0.149 19522 9753 1 15 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.187 -0.808 19522 9754 1 15 . 1 1 116 116 HIS CB C 116 28.251 28.251 28.998 -0.747 19522 9755 1 15 . 1 1 116 116 HIS H H 116 8.158 8.158 7.883 0.275 19522 9756 1 15 . 1 1 117 117 ILE N N 117 122.347 122.347 113.538 8.809 19522 9757 1 15 . 1 1 117 117 ILE C C 117 176.377 176.377 175.372 1.005 19522 9758 1 15 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.999 -1.282 19522 9759 1 15 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.644 1.580 19522 9760 1 15 . 1 1 117 117 ILE H H 117 8.658 8.658 8.090 0.568 19522 9761 1 15 . 1 1 118 118 THR N N 118 115.798 115.798 119.148 -3.350 19522 9762 1 15 . 1 1 118 118 THR CA C 118 57.921 57.921 59.813 -1.892 19522 9763 1 15 . 1 1 118 118 THR CB C 118 63.434 63.434 68.764 -5.330 19522 9764 1 15 . 1 1 118 118 THR H H 118 8.227 8.227 8.137 0.090 19522 9765 1 15 . 1 1 120 120 GLY N N 120 109.574 109.574 107.897 1.677 19522 9766 1 15 . 1 1 120 120 GLY C C 120 180.495 180.495 173.521 6.974 19522 9767 1 15 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.684 -1.291 19522 9768 1 15 . 1 1 120 120 GLY H H 120 8.429 8.429 8.020 0.409 19522 9769 1 15 . 1 1 121 121 THR N N 121 113.419 113.419 116.104 -2.685 19522 9770 1 15 . 1 1 121 121 THR C C 121 178.096 178.096 173.721 4.375 19522 9771 1 15 . 1 1 121 121 THR CA C 121 62.041 62.041 62.192 -0.151 19522 9772 1 15 . 1 1 121 121 THR CB C 121 63.994 63.994 66.712 -2.717 19522 9773 1 15 . 1 1 121 121 THR H H 121 7.774 7.774 8.094 -0.320 19522 9774 1 15 . 1 1 122 122 ALA N N 122 121.876 121.876 126.261 -4.385 19522 9775 1 15 . 1 1 122 122 ALA C C 122 177.397 177.397 176.984 0.413 19522 9776 1 15 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.662 -1.038 19522 9777 1 15 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.646 -2.121 19522 9778 1 15 . 1 1 122 122 ALA H H 122 7.944 7.944 8.378 -0.434 19522 9779 1 15 . 1 1 123 123 TYR N N 123 120.931 120.931 116.514 4.417 19522 9780 1 15 . 1 1 123 123 TYR C C 123 176.060 176.060 177.274 -1.214 19522 9781 1 15 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.732 1.323 19522 9782 1 15 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.532 -2.050 19522 9783 1 15 . 1 1 123 123 TYR H H 123 8.748 8.748 7.687 1.061 19522 9784 1 15 . 1 1 124 124 GLN N N 124 115.002 115.002 121.083 -6.081 19522 9785 1 15 . 1 1 124 124 GLN C C 124 178.098 178.098 178.419 -0.321 19522 9786 1 15 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.056 -0.416 19522 9787 1 15 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.393 -1.877 19522 9788 1 15 . 1 1 124 124 GLN H H 124 8.454 8.454 7.336 1.118 19522 9789 1 15 . 1 1 125 125 SER N N 125 114.135 114.135 115.392 -1.257 19522 9790 1 15 . 1 1 125 125 SER C C 125 179.557 179.557 176.144 3.413 19522 9791 1 15 . 1 1 125 125 SER CA C 125 61.357 61.357 61.499 -0.142 19522 9792 1 15 . 1 1 125 125 SER CB C 125 61.357 61.357 62.754 -1.397 19522 9793 1 15 . 1 1 125 125 SER H H 125 7.283 7.283 7.615 -0.332 19522 9794 1 15 . 1 1 126 126 PHE N N 126 113.327 113.327 123.801 -10.474 19522 9795 1 15 . 1 1 126 126 PHE C C 126 174.879 174.879 176.914 -2.035 19522 9796 1 15 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.946 0.171 19522 9797 1 15 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.068 -1.365 19522 9798 1 15 . 1 1 126 126 PHE H H 126 6.606 6.606 7.974 -1.368 19522 9799 1 15 . 1 1 127 127 GLU N N 127 119.398 119.398 118.952 0.446 19522 9800 1 15 . 1 1 127 127 GLU C C 127 176.857 176.857 178.840 -1.983 19522 9801 1 15 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.829 -1.771 19522 9802 1 15 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.224 -0.334 19522 9803 1 15 . 1 1 127 127 GLU H H 127 8.546 8.546 8.011 0.535 19522 9804 1 15 . 1 1 128 128 GLN N N 128 114.754 114.754 119.417 -4.663 19522 9805 1 15 . 1 1 128 128 GLN C C 128 178.356 178.356 178.430 -0.074 19522 9806 1 15 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.687 -0.607 19522 9807 1 15 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.426 -1.431 19522 9808 1 15 . 1 1 128 128 GLN H H 128 7.525 7.525 8.033 -0.508 19522 9809 1 15 . 1 1 129 129 VAL N N 129 118.194 118.194 118.627 -0.433 19522 9810 1 15 . 1 1 129 129 VAL C C 129 177.756 177.756 178.826 -1.070 19522 9811 1 15 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.305 -1.215 19522 9812 1 15 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.418 -1.169 19522 9813 1 15 . 1 1 129 129 VAL H H 129 7.036 7.036 7.843 -0.807 19522 9814 1 15 . 1 1 130 130 VAL N N 130 119.459 119.459 120.159 -0.700 19522 9815 1 15 . 1 1 130 130 VAL C C 130 177.714 177.714 177.892 -0.178 19522 9816 1 15 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.036 -0.627 19522 9817 1 15 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.283 -0.811 19522 9818 1 15 . 1 1 130 130 VAL H H 130 7.831 7.831 8.391 -0.560 19522 9819 1 15 . 1 1 131 131 ASN N N 131 117.212 117.212 117.393 -0.181 19522 9820 1 15 . 1 1 131 131 ASN C C 131 178.775 178.775 177.116 1.659 19522 9821 1 15 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.376 -1.732 19522 9822 1 15 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.480 -2.215 19522 9823 1 15 . 1 1 131 131 ASN H H 131 8.374 8.374 8.566 -0.192 19522 9824 1 15 . 1 1 132 132 GLU N N 132 118.393 118.393 119.567 -1.174 19522 9825 1 15 . 1 1 132 132 GLU C C 132 179.097 179.097 179.006 0.091 19522 9826 1 15 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.767 -0.789 19522 9827 1 15 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.340 -1.968 19522 9828 1 15 . 1 1 132 132 GLU H H 132 7.226 7.226 7.500 -0.274 19522 9829 1 15 . 1 1 133 133 LEU N N 133 120.835 120.835 120.123 0.712 19522 9830 1 15 . 1 1 133 133 LEU C C 133 178.016 178.016 177.669 0.347 19522 9831 1 15 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.383 -0.581 19522 9832 1 15 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.642 -1.861 19522 9833 1 15 . 1 1 133 133 LEU H H 133 7.467 7.467 7.326 0.141 19522 9834 1 15 . 1 1 134 134 PHE N N 134 112.847 112.847 117.011 -4.164 19522 9835 1 15 . 1 1 134 134 PHE C C 134 176.258 176.258 176.902 -0.644 19522 9836 1 15 . 1 1 134 134 PHE CA C 134 56.539 56.539 58.696 -2.157 19522 9837 1 15 . 1 1 134 134 PHE CB C 134 37.863 37.863 37.940 -0.077 19522 9838 1 15 . 1 1 134 134 PHE H H 134 6.926 6.926 7.239 -0.313 19522 9839 1 15 . 1 1 135 135 ARG N N 135 123.664 123.664 117.867 5.797 19522 9840 1 15 . 1 1 135 135 ARG C C 135 176.957 176.957 176.201 0.756 19522 9841 1 15 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.490 1.447 19522 9842 1 15 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.590 -2.579 19522 9843 1 15 . 1 1 135 135 ARG H H 135 7.144 7.144 7.416 -0.272 19522 9844 1 15 . 1 1 136 136 ASP N N 136 116.448 116.448 116.259 0.189 19522 9845 1 15 . 1 1 136 136 ASP C C 136 175.339 175.339 176.794 -1.455 19522 9846 1 15 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.358 -1.015 19522 9847 1 15 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.623 -5.025 19522 9848 1 15 . 1 1 136 136 ASP H H 136 8.607 8.607 7.556 1.051 19522 9849 1 15 . 1 1 137 137 GLY N N 137 108.506 108.506 109.385 -0.879 19522 9850 1 15 . 1 1 137 137 GLY C C 137 172.324 172.324 174.141 -1.817 19522 9851 1 15 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.926 -2.131 19522 9852 1 15 . 1 1 137 137 GLY H H 137 7.468 7.468 8.365 -0.897 19522 9853 1 15 . 1 1 138 138 VAL N N 138 120.519 120.519 124.339 -3.820 19522 9854 1 15 . 1 1 138 138 VAL C C 138 174.160 174.160 174.927 -0.767 19522 9855 1 15 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.780 0.113 19522 9856 1 15 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.649 1.159 19522 9857 1 15 . 1 1 138 138 VAL H H 138 8.181 8.181 8.432 -0.251 19522 9858 1 15 . 1 1 139 139 ASN N N 139 115.573 115.573 123.041 -7.468 19522 9859 1 15 . 1 1 139 139 ASN C C 139 174.959 174.959 175.582 -0.623 19522 9860 1 15 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.529 -0.503 19522 9861 1 15 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.326 -1.687 19522 9862 1 15 . 1 1 139 139 ASN H H 139 6.261 6.261 7.660 -1.399 19522 9863 1 15 . 1 1 140 140 TRP N N 140 118.231 118.231 126.824 -8.593 19522 9864 1 15 . 1 1 140 140 TRP C C 140 177.976 177.976 177.671 0.305 19522 9865 1 15 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.108 1.028 19522 9866 1 15 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.890 -0.281 19522 9867 1 15 . 1 1 140 140 TRP H H 140 8.413 8.413 8.681 -0.268 19522 9868 1 15 . 1 1 141 141 GLY N N 141 106.238 106.238 106.063 0.175 19522 9869 1 15 . 1 1 141 141 GLY C C 141 177.297 177.297 175.494 1.803 19522 9870 1 15 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.242 0.230 19522 9871 1 15 . 1 1 141 141 GLY H H 141 8.494 8.494 9.035 -0.541 19522 9872 1 15 . 1 1 142 142 ARG N N 142 121.156 121.156 122.335 -1.179 19522 9873 1 15 . 1 1 142 142 ARG C C 142 177.457 177.457 178.082 -0.625 19522 9874 1 15 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.823 -0.325 19522 9875 1 15 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.056 -0.447 19522 9876 1 15 . 1 1 142 142 ARG H H 142 8.104 8.104 7.517 0.587 19522 9877 1 15 . 1 1 143 143 ILE N N 143 120.888 120.888 119.800 1.088 19522 9878 1 15 . 1 1 143 143 ILE C C 143 177.756 177.756 177.062 0.694 19522 9879 1 15 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.074 1.815 19522 9880 1 15 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.819 -2.216 19522 9881 1 15 . 1 1 143 143 ILE H H 143 7.696 7.696 7.852 -0.156 19522 9882 1 15 . 1 1 144 144 VAL N N 144 120.958 120.958 119.422 1.536 19522 9883 1 15 . 1 1 144 144 VAL C C 144 177.557 177.557 177.596 -0.039 19522 9884 1 15 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.616 0.472 19522 9885 1 15 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.041 0.048 19522 9886 1 15 . 1 1 144 144 VAL H H 144 8.229 8.229 7.404 0.825 19522 9887 1 15 . 1 1 145 145 ALA N N 145 121.229 121.229 122.715 -1.486 19522 9888 1 15 . 1 1 145 145 ALA C C 145 177.999 177.999 178.982 -0.983 19522 9889 1 15 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.052 -0.990 19522 9890 1 15 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.227 -1.244 19522 9891 1 15 . 1 1 145 145 ALA H H 145 7.579 7.579 7.460 0.119 19522 9892 1 15 . 1 1 146 146 PHE N N 146 119.338 119.338 120.048 -0.710 19522 9893 1 15 . 1 1 146 146 PHE C C 146 179.432 179.432 177.134 2.298 19522 9894 1 15 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.593 -0.424 19522 9895 1 15 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.931 -1.068 19522 9896 1 15 . 1 1 146 146 PHE H H 146 7.985 7.985 8.165 -0.180 19522 9897 1 15 . 1 1 147 147 PHE N N 147 119.900 119.900 117.505 2.395 19522 9898 1 15 . 1 1 147 147 PHE C C 147 177.399 177.399 177.907 -0.508 19522 9899 1 15 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.252 -2.133 19522 9900 1 15 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.023 1.415 19522 9901 1 15 . 1 1 147 147 PHE H H 147 7.824 7.824 8.350 -0.526 19522 9902 1 15 . 1 1 148 148 SER N N 148 114.725 114.725 116.546 -1.821 19522 9903 1 15 . 1 1 148 148 SER C C 148 177.357 177.357 176.177 1.180 19522 9904 1 15 . 1 1 148 148 SER CA C 148 63.115 63.115 62.130 0.985 19522 9905 1 15 . 1 1 148 148 SER CB C 148 61.893 61.893 62.384 -0.491 19522 9906 1 15 . 1 1 148 148 SER H H 148 8.423 8.423 7.905 0.518 19522 9907 1 15 . 1 1 149 149 PHE N N 149 124.361 124.361 121.453 2.908 19522 9908 1 15 . 1 1 149 149 PHE C C 149 176.338 176.338 178.034 -1.696 19522 9909 1 15 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.455 -2.119 19522 9910 1 15 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.450 -1.169 19522 9911 1 15 . 1 1 149 149 PHE H H 149 9.097 9.097 8.267 0.830 19522 9912 1 15 . 1 1 150 150 GLY N N 150 105.935 105.935 105.993 -0.058 19522 9913 1 15 . 1 1 150 150 GLY C C 150 176.398 176.398 176.142 0.256 19522 9914 1 15 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.760 0.270 19522 9915 1 15 . 1 1 150 150 GLY H H 150 7.937 7.937 8.037 -0.100 19522 9916 1 15 . 1 1 151 151 GLY N N 151 107.449 107.449 110.077 -2.628 19522 9917 1 15 . 1 1 151 151 GLY C C 151 174.300 174.300 175.878 -1.578 19522 9918 1 15 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.681 0.269 19522 9919 1 15 . 1 1 151 151 GLY H H 151 8.803 8.803 8.313 0.490 19522 9920 1 15 . 1 1 152 152 ALA N N 152 124.384 124.384 125.009 -0.625 19522 9921 1 15 . 1 1 152 152 ALA C C 152 177.636 177.636 179.270 -1.634 19522 9922 1 15 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.702 -0.560 19522 9923 1 15 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.375 -1.312 19522 9924 1 15 . 1 1 152 152 ALA H H 152 8.232 8.232 8.020 0.212 19522 9925 1 15 . 1 1 153 153 LEU N N 153 118.871 118.871 120.037 -1.166 19522 9926 1 15 . 1 1 153 153 LEU C C 153 179.937 179.937 178.644 1.293 19522 9927 1 15 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.646 -1.058 19522 9928 1 15 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.685 -1.026 19522 9929 1 15 . 1 1 153 153 LEU H H 153 8.159 8.159 7.905 0.254 19522 9930 1 15 . 1 1 154 154 CYS N N 154 118.554 118.554 118.708 -0.154 19522 9931 1 15 . 1 1 154 154 CYS C C 154 177.332 177.332 176.908 0.424 19522 9932 1 15 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.717 -2.421 19522 9933 1 15 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.022 -0.785 19522 9934 1 15 . 1 1 154 154 CYS H H 154 8.049 8.049 8.448 -0.399 19522 9935 1 15 . 1 1 155 155 VAL N N 155 118.474 118.474 122.133 -3.659 19522 9936 1 15 . 1 1 155 155 VAL C C 155 175.723 175.723 178.393 -2.670 19522 9937 1 15 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.037 -0.908 19522 9938 1 15 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.838 -0.110 19522 9939 1 15 . 1 1 155 155 VAL H H 155 8.016 8.016 7.450 0.566 19522 9940 1 15 . 1 1 156 156 GLU N N 156 119.114 119.114 117.740 1.374 19522 9941 1 15 . 1 1 156 156 GLU C C 156 178.036 178.036 178.762 -0.726 19522 9942 1 15 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.170 3.108 19522 9943 1 15 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.975 -1.523 19522 9944 1 15 . 1 1 156 156 GLU H H 156 8.025 8.025 7.941 0.084 19522 9945 1 15 . 1 1 157 157 SER N N 157 113.391 113.391 116.080 -2.689 19522 9946 1 15 . 1 1 157 157 SER C C 157 175.299 175.299 175.933 -0.634 19522 9947 1 15 . 1 1 157 157 SER CA C 157 62.373 62.373 62.058 0.315 19522 9948 1 15 . 1 1 157 157 SER CB C 157 60.854 60.854 63.281 -2.427 19522 9949 1 15 . 1 1 157 157 SER H H 157 7.629 7.629 7.386 0.243 19522 9950 1 15 . 1 1 158 158 VAL N N 158 120.493 120.493 121.617 -1.124 19522 9951 1 15 . 1 1 158 158 VAL C C 158 173.977 173.977 177.346 -3.369 19522 9952 1 15 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.565 1.164 19522 9953 1 15 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.017 -1.408 19522 9954 1 15 . 1 1 158 158 VAL H H 158 7.374 7.374 7.540 -0.166 19522 9955 1 15 . 1 1 159 159 ASP N N 159 123.215 123.215 121.609 1.606 19522 9956 1 15 . 1 1 159 159 ASP C C 159 177.696 177.696 177.457 0.239 19522 9957 1 15 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.654 -0.035 19522 9958 1 15 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.961 -1.043 19522 9959 1 15 . 1 1 159 159 ASP H H 159 8.309 8.309 8.312 -0.003 19522 9960 1 15 . 1 1 160 160 LYS N N 160 115.648 115.648 118.243 -2.595 19522 9961 1 15 . 1 1 160 160 LYS C C 160 174.839 174.839 175.490 -0.651 19522 9962 1 15 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.574 -0.472 19522 9963 1 15 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.869 -2.381 19522 9964 1 15 . 1 1 160 160 LYS H H 160 7.541 7.541 7.460 0.081 19522 9965 1 15 . 1 1 161 161 GLU N N 161 113.911 113.911 118.376 -4.465 19522 9966 1 15 . 1 1 161 161 GLU C C 161 175.781 175.781 176.568 -0.787 19522 9967 1 15 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.244 -1.465 19522 9968 1 15 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.107 -3.053 19522 9969 1 15 . 1 1 161 161 GLU H H 161 7.842 7.842 8.005 -0.163 19522 9970 1 15 . 1 1 162 162 MET N N 162 118.882 118.882 116.636 2.246 19522 9971 1 15 . 1 1 162 162 MET C C 162 176.597 176.597 177.368 -0.771 19522 9972 1 15 . 1 1 162 162 MET CA C 162 52.646 52.646 57.582 -4.936 19522 9973 1 15 . 1 1 162 162 MET CB C 162 30.488 30.488 33.874 -3.386 19522 9974 1 15 . 1 1 162 162 MET H H 162 8.420 8.420 8.666 -0.246 19522 9975 1 15 . 1 1 163 163 GLN N N 163 119.366 119.366 117.598 1.768 19522 9976 1 15 . 1 1 163 163 GLN C C 163 177.397 177.397 176.877 0.520 19522 9977 1 15 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.512 0.664 19522 9978 1 15 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.142 -1.049 19522 9979 1 15 . 1 1 163 163 GLN H H 163 8.615 8.615 8.114 0.501 19522 9980 1 15 . 1 1 164 164 VAL N N 164 116.957 116.957 120.526 -3.569 19522 9981 1 15 . 1 1 164 164 VAL C C 164 175.459 175.459 177.566 -2.107 19522 9982 1 15 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.817 -2.965 19522 9983 1 15 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.346 -1.257 19522 9984 1 15 . 1 1 164 164 VAL H H 164 7.938 7.938 8.094 -0.156 19522 9985 1 15 . 1 1 165 165 LEU N N 165 117.124 117.124 119.058 -1.934 19522 9986 1 15 . 1 1 165 165 LEU C C 165 177.714 177.714 178.279 -0.565 19522 9987 1 15 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.051 -2.368 19522 9988 1 15 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.928 -2.250 19522 9989 1 15 . 1 1 165 165 LEU H H 165 7.741 7.741 7.718 0.023 19522 9990 1 15 . 1 1 166 166 VAL N N 166 119.434 119.434 118.436 0.998 19522 9991 1 15 . 1 1 166 166 VAL C C 166 176.817 176.817 178.014 -1.197 19522 9992 1 15 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.535 1.313 19522 9993 1 15 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.107 -1.737 19522 9994 1 15 . 1 1 166 166 VAL H H 166 7.342 7.342 7.856 -0.514 19522 9995 1 15 . 1 1 167 167 SER N N 167 110.775 110.775 115.764 -4.989 19522 9996 1 15 . 1 1 167 167 SER C C 167 176.737 176.737 176.567 0.170 19522 9997 1 15 . 1 1 167 167 SER CA C 167 60.215 60.215 61.881 -1.666 19522 9998 1 15 . 1 1 167 167 SER CB C 167 61.654 61.654 62.520 -0.866 19522 9999 1 15 . 1 1 167 167 SER H H 167 8.099 8.099 8.673 -0.574 19522 10000 1 15 . 1 1 168 168 ARG N N 168 122.916 122.916 120.311 2.605 19522 10001 1 15 . 1 1 168 168 ARG C C 168 175.439 175.439 177.615 -2.176 19522 10002 1 15 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.902 3.713 19522 10003 1 15 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.137 -2.126 19522 10004 1 15 . 1 1 168 168 ARG H H 168 6.596 6.596 7.518 -0.922 19522 10005 1 15 . 1 1 169 169 ILE N N 169 118.335 118.335 120.959 -2.624 19522 10006 1 15 . 1 1 169 169 ILE C C 169 177.779 177.779 177.731 0.048 19522 10007 1 15 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.573 -1.442 19522 10008 1 15 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.701 -0.740 19522 10009 1 15 . 1 1 169 169 ILE H H 169 7.928 7.928 7.792 0.136 19522 10010 1 15 . 1 1 170 170 ALA N N 170 119.271 119.271 120.919 -1.648 19522 10011 1 15 . 1 1 170 170 ALA C C 170 179.195 179.195 179.094 0.101 19522 10012 1 15 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.493 -1.591 19522 10013 1 15 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.804 -0.980 19522 10014 1 15 . 1 1 170 170 ALA H H 170 7.672 7.672 8.207 -0.535 19522 10015 1 15 . 1 1 171 171 ALA N N 171 120.393 120.393 121.890 -1.497 19522 10016 1 15 . 1 1 171 171 ALA C C 171 180.833 180.833 179.597 1.236 19522 10017 1 15 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.595 -0.453 19522 10018 1 15 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.693 -1.189 19522 10019 1 15 . 1 1 171 171 ALA H H 171 7.258 7.258 7.389 -0.131 19522 10020 1 15 . 1 1 172 172 TRP N N 172 121.501 121.501 118.246 3.255 19522 10021 1 15 . 1 1 172 172 TRP C C 172 179.350 179.350 178.559 0.791 19522 10022 1 15 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.735 -1.716 19522 10023 1 15 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.663 -1.371 19522 10024 1 15 . 1 1 172 172 TRP H H 172 8.936 8.936 7.657 1.279 19522 10025 1 15 . 1 1 173 173 MET N N 173 117.211 117.211 119.917 -2.706 19522 10026 1 15 . 1 1 173 173 MET C C 173 176.158 176.158 178.278 -2.120 19522 10027 1 15 . 1 1 173 173 MET CA C 173 60.238 60.238 59.270 0.968 19522 10028 1 15 . 1 1 173 173 MET CB C 173 28.833 28.833 32.973 -4.140 19522 10029 1 15 . 1 1 173 173 MET H H 173 8.885 8.885 8.672 0.213 19522 10030 1 15 . 1 1 174 174 ALA N N 174 120.901 120.901 120.537 0.364 19522 10031 1 15 . 1 1 174 174 ALA C C 174 178.875 178.875 179.596 -0.721 19522 10032 1 15 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.406 -0.545 19522 10033 1 15 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.062 -1.375 19522 10034 1 15 . 1 1 174 174 ALA H H 174 8.206 8.206 8.434 -0.228 19522 10035 1 15 . 1 1 175 175 THR N N 175 116.591 116.591 117.298 -0.707 19522 10036 1 15 . 1 1 175 175 THR C C 175 174.782 174.782 176.686 -1.904 19522 10037 1 15 . 1 1 175 175 THR CA C 175 66.209 66.209 66.902 -0.693 19522 10038 1 15 . 1 1 175 175 THR CB C 175 68.046 68.046 68.736 -0.690 19522 10039 1 15 . 1 1 175 175 THR H H 175 8.530 8.530 7.809 0.721 19522 10040 1 15 . 1 1 176 176 TYR N N 176 123.375 123.375 122.981 0.394 19522 10041 1 15 . 1 1 176 176 TYR C C 176 179.255 179.255 177.173 2.082 19522 10042 1 15 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.789 1.584 19522 10043 1 15 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.844 -0.981 19522 10044 1 15 . 1 1 176 176 TYR H H 176 8.822 8.822 8.217 0.605 19522 10045 1 15 . 1 1 177 177 LEU N N 177 119.511 119.511 122.057 -2.546 19522 10046 1 15 . 1 1 177 177 LEU C C 177 177.979 177.979 178.199 -0.220 19522 10047 1 15 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.595 -0.138 19522 10048 1 15 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.772 -0.496 19522 10049 1 15 . 1 1 177 177 LEU H H 177 8.759 8.759 8.744 0.015 19522 10050 1 15 . 1 1 178 178 ASN N N 178 117.233 117.233 116.069 1.164 19522 10051 1 15 . 1 1 178 178 ASN C C 178 176.021 176.021 176.711 -0.690 19522 10052 1 15 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.907 -0.064 19522 10053 1 15 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.409 -0.306 19522 10054 1 15 . 1 1 178 178 ASN H H 178 8.333 8.333 7.833 0.500 19522 10055 1 15 . 1 1 179 179 ASP N N 179 115.264 115.264 118.894 -3.630 19522 10056 1 15 . 1 1 179 179 ASP C C 179 177.557 177.557 176.874 0.683 19522 10057 1 15 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.472 -0.572 19522 10058 1 15 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.460 -2.181 19522 10059 1 15 . 1 1 179 179 ASP H H 179 8.451 8.451 7.756 0.695 19522 10060 1 15 . 1 1 180 180 HIS N N 180 111.728 111.728 115.507 -3.779 19522 10061 1 15 . 1 1 180 180 HIS C C 180 175.479 175.479 176.681 -1.202 19522 10062 1 15 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.868 -1.447 19522 10063 1 15 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.166 -2.557 19522 10064 1 15 . 1 1 180 180 HIS H H 180 8.073 8.073 7.872 0.201 19522 10065 1 15 . 1 1 181 181 LEU N N 181 116.833 116.833 121.758 -4.925 19522 10066 1 15 . 1 1 181 181 LEU C C 181 176.160 176.160 178.616 -2.456 19522 10067 1 15 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.926 -3.905 19522 10068 1 15 . 1 1 181 181 LEU CB C 181 41.756 41.756 42.058 -0.302 19522 10069 1 15 . 1 1 181 181 LEU H H 181 7.183 7.183 7.638 -0.455 19522 10070 1 15 . 1 1 182 182 GLU N N 182 121.364 121.364 118.539 2.825 19522 10071 1 15 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.735 -0.721 19522 10072 1 15 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.635 -1.679 19522 10073 1 15 . 1 1 182 182 GLU H H 182 8.596 8.596 8.878 -0.282 19522 10074 1 15 . 1 1 184 184 TRP N N 184 117.804 117.804 119.670 -1.866 19522 10075 1 15 . 1 1 184 184 TRP C C 184 179.217 179.217 177.599 1.618 19522 10076 1 15 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.393 6.279 19522 10077 1 15 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.138 -1.065 19522 10078 1 15 . 1 1 184 184 TRP H H 184 7.070 7.070 7.682 -0.612 19522 10079 1 15 . 1 1 185 185 ILE N N 185 121.825 121.825 119.011 2.814 19522 10080 1 15 . 1 1 185 185 ILE C C 185 178.655 178.655 178.653 0.002 19522 10081 1 15 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.844 0.429 19522 10082 1 15 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.944 -1.999 19522 10083 1 15 . 1 1 185 185 ILE H H 185 8.396 8.396 8.348 0.048 19522 10084 1 15 . 1 1 186 186 GLN N N 186 116.489 116.489 117.014 -0.525 19522 10085 1 15 . 1 1 186 186 GLN C C 186 179.035 179.035 176.052 2.983 19522 10086 1 15 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.752 0.066 19522 10087 1 15 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.084 -1.271 19522 10088 1 15 . 1 1 186 186 GLN H H 186 8.374 8.374 8.003 0.371 19522 10089 1 15 . 1 1 187 187 GLU N N 187 118.764 118.764 118.969 -0.205 19522 10090 1 15 . 1 1 187 187 GLU C C 187 176.458 176.458 177.265 -0.807 19522 10091 1 15 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.699 0.320 19522 10092 1 15 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.877 -2.466 19522 10093 1 15 . 1 1 187 187 GLU H H 187 7.515 7.515 7.616 -0.101 19522 10094 1 15 . 1 1 188 188 ASN N N 188 116.561 116.561 117.690 -1.129 19522 10095 1 15 . 1 1 188 188 ASN C C 188 173.620 173.620 174.826 -1.206 19522 10096 1 15 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.272 -0.409 19522 10097 1 15 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.148 -2.427 19522 10098 1 15 . 1 1 188 188 ASN H H 188 7.092 7.092 7.882 -0.790 19522 10099 1 15 . 1 1 189 189 GLY N N 189 104.897 104.897 104.386 0.511 19522 10100 1 15 . 1 1 189 189 GLY C C 189 175.658 175.658 173.037 2.621 19522 10101 1 15 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.325 0.467 19522 10102 1 15 . 1 1 189 189 GLY H H 189 7.339 7.339 7.185 0.154 19522 10103 1 15 . 1 1 190 190 GLY N N 190 108.292 108.292 108.206 0.086 19522 10104 1 15 . 1 1 190 190 GLY C C 190 173.021 173.021 174.628 -1.607 19522 10105 1 15 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.970 -2.616 19522 10106 1 15 . 1 1 190 190 GLY H H 190 8.462 8.462 9.252 -0.790 19522 10107 1 15 . 1 1 191 191 TRP N N 191 118.031 118.031 121.693 -3.662 19522 10108 1 15 . 1 1 191 191 TRP C C 191 178.136 178.136 177.122 1.014 19522 10109 1 15 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.404 -0.988 19522 10110 1 15 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.979 -0.329 19522 10111 1 15 . 1 1 191 191 TRP H H 191 8.673 8.673 8.368 0.305 19522 10112 1 15 . 1 1 192 192 ASP N N 192 117.298 117.298 119.013 -1.715 19522 10113 1 15 . 1 1 192 192 ASP C C 192 179.058 179.058 177.857 1.201 19522 10114 1 15 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.349 0.510 19522 10115 1 15 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.232 0.047 19522 10116 1 15 . 1 1 192 192 ASP H H 192 8.846 8.846 7.871 0.975 19522 10117 1 15 . 1 1 193 193 THR N N 193 116.061 116.061 114.942 1.119 19522 10118 1 15 . 1 1 193 193 THR C C 193 174.979 174.979 176.042 -1.063 19522 10119 1 15 . 1 1 193 193 THR CA C 193 65.649 65.649 65.215 0.434 19522 10120 1 15 . 1 1 193 193 THR CB C 193 67.327 67.327 68.400 -1.073 19522 10121 1 15 . 1 1 193 193 THR H H 193 7.431 7.431 7.551 -0.120 19522 10122 1 15 . 1 1 194 194 PHE N N 194 121.789 121.789 122.252 -0.463 19522 10123 1 15 . 1 1 194 194 PHE C C 194 176.418 176.418 177.455 -1.037 19522 10124 1 15 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.819 0.195 19522 10125 1 15 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.101 -2.220 19522 10126 1 15 . 1 1 194 194 PHE H H 194 6.527 6.527 8.064 -1.537 19522 10127 1 15 . 1 1 195 195 VAL N N 195 116.988 116.988 119.104 -2.116 19522 10128 1 15 . 1 1 195 195 VAL C C 195 178.078 178.078 178.163 -0.085 19522 10129 1 15 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.156 -0.404 19522 10130 1 15 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.551 -0.063 19522 10131 1 15 . 1 1 195 195 VAL H H 195 7.747 7.747 8.418 -0.671 19522 10132 1 15 . 1 1 196 196 GLU N N 196 120.171 120.171 119.305 0.866 19522 10133 1 15 . 1 1 196 196 GLU C C 196 177.976 177.976 177.688 0.288 19522 10134 1 15 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.013 -0.693 19522 10135 1 15 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.213 -0.540 19522 10136 1 15 . 1 1 196 196 GLU H H 196 7.497 7.497 7.765 -0.268 19522 10137 1 15 . 1 1 197 197 LEU N N 197 117.210 117.210 113.313 3.897 19522 10138 1 15 . 1 1 197 197 LEU C C 197 178.376 178.376 176.326 2.050 19522 10139 1 15 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.905 0.995 19522 10140 1 15 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.971 0.424 19522 10141 1 15 . 1 1 197 197 LEU H H 197 7.626 7.626 7.290 0.336 19522 10142 1 15 . 1 1 198 198 TYR N N 198 115.681 115.681 120.259 -4.578 19522 10143 1 15 . 1 1 198 198 TYR C C 198 176.577 176.577 176.389 0.188 19522 10144 1 15 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.369 -0.992 19522 10145 1 15 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.761 -3.240 19522 10146 1 15 . 1 1 198 198 TYR H H 198 8.081 8.081 7.704 0.377 19522 10147 1 15 . 1 1 199 199 GLY N N 199 108.201 108.201 106.927 1.274 19522 10148 1 15 . 1 1 199 199 GLY C C 199 173.640 173.640 174.742 -1.102 19522 10149 1 15 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.358 -0.805 19522 10150 1 15 . 1 1 199 199 GLY H H 199 8.032 8.032 8.222 -0.190 19522 10151 1 15 . 1 1 200 200 ASN N N 200 118.385 118.385 118.651 -0.266 19522 10152 1 15 . 1 1 200 200 ASN C C 200 175.081 175.081 173.502 1.579 19522 10153 1 15 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.844 -0.060 19522 10154 1 15 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.113 -1.672 19522 10155 1 15 . 1 1 200 200 ASN H H 200 8.300 8.300 8.087 0.213 19522 10156 1 16 . 1 1 5 5 SER N N 5 116.171 116.171 121.516 -5.345 19522 10157 1 16 . 1 1 5 5 SER C C 5 174.320 174.320 174.705 -0.385 19522 10158 1 16 . 1 1 5 5 SER CA C 5 57.898 57.898 58.576 -0.678 19522 10159 1 16 . 1 1 5 5 SER CB C 5 62.533 62.533 63.492 -0.959 19522 10160 1 16 . 1 1 5 5 SER H H 5 8.224 8.224 8.756 -0.532 19522 10161 1 16 . 1 1 6 6 GLN N N 6 122.369 122.369 117.889 4.480 19522 10162 1 16 . 1 1 6 6 GLN C C 6 176.418 176.418 176.176 0.242 19522 10163 1 16 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.322 -0.422 19522 10164 1 16 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.085 1.725 19522 10165 1 16 . 1 1 6 6 GLN H H 6 8.337 8.337 8.655 -0.318 19522 10166 1 16 . 1 1 7 7 SER N N 7 116.584 116.584 115.555 1.029 19522 10167 1 16 . 1 1 7 7 SER C C 7 175.859 175.859 175.826 0.033 19522 10168 1 16 . 1 1 7 7 SER CA C 7 56.260 56.260 61.095 -4.835 19522 10169 1 16 . 1 1 7 7 SER CB C 7 61.916 61.916 62.767 -0.851 19522 10170 1 16 . 1 1 7 7 SER H H 7 8.221 8.221 8.891 -0.670 19522 10171 1 16 . 1 1 8 8 ASN N N 8 119.373 119.373 120.591 -1.218 19522 10172 1 16 . 1 1 8 8 ASN C C 8 177.259 177.259 177.192 0.067 19522 10173 1 16 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.956 -2.749 19522 10174 1 16 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.242 -1.578 19522 10175 1 16 . 1 1 8 8 ASN H H 8 8.375 8.375 7.893 0.482 19522 10176 1 16 . 1 1 9 9 ARG N N 9 119.039 119.039 121.405 -2.366 19522 10177 1 16 . 1 1 9 9 ARG C C 9 176.977 176.977 178.411 -1.434 19522 10178 1 16 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.094 -1.088 19522 10179 1 16 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.262 1.048 19522 10180 1 16 . 1 1 9 9 ARG H H 9 7.815 7.815 8.694 -0.879 19522 10181 1 16 . 1 1 10 10 GLU N N 10 117.158 117.158 120.115 -2.957 19522 10182 1 16 . 1 1 10 10 GLU C C 10 179.475 179.475 178.897 0.578 19522 10183 1 16 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.466 -3.969 19522 10184 1 16 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.112 -0.119 19522 10185 1 16 . 1 1 10 10 GLU H H 10 7.949 7.949 8.343 -0.394 19522 10186 1 16 . 1 1 11 11 LEU N N 11 119.880 119.880 120.378 -0.498 19522 10187 1 16 . 1 1 11 11 LEU C C 11 178.096 178.096 178.818 -0.722 19522 10188 1 16 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.978 -0.777 19522 10189 1 16 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.391 -1.473 19522 10190 1 16 . 1 1 11 11 LEU H H 11 7.807 7.807 7.618 0.189 19522 10191 1 16 . 1 1 12 12 VAL N N 12 117.702 117.702 119.317 -1.615 19522 10192 1 16 . 1 1 12 12 VAL C C 12 176.377 176.377 178.533 -2.156 19522 10193 1 16 . 1 1 12 12 VAL CA C 12 67.088 67.088 66.987 0.101 19522 10194 1 16 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.163 -0.195 19522 10195 1 16 . 1 1 12 12 VAL H H 12 7.690 7.690 7.818 -0.128 19522 10196 1 16 . 1 1 13 13 VAL N N 13 116.258 116.258 116.177 0.081 19522 10197 1 16 . 1 1 13 13 VAL C C 13 178.416 178.416 177.442 0.974 19522 10198 1 16 . 1 1 13 13 VAL CA C 13 65.912 65.912 66.107 -0.195 19522 10199 1 16 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.698 -2.105 19522 10200 1 16 . 1 1 13 13 VAL H H 13 8.225 8.225 8.143 0.082 19522 10201 1 16 . 1 1 14 14 ASP N N 14 120.362 120.362 122.021 -1.659 19522 10202 1 16 . 1 1 14 14 ASP C C 14 177.040 177.040 177.879 -0.839 19522 10203 1 16 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.469 0.509 19522 10204 1 16 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.205 1.053 19522 10205 1 16 . 1 1 14 14 ASP H H 14 7.967 7.967 8.282 -0.315 19522 10206 1 16 . 1 1 15 15 PHE N N 15 119.747 119.747 120.694 -0.947 19522 10207 1 16 . 1 1 15 15 PHE C C 15 177.876 177.876 177.351 0.525 19522 10208 1 16 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.391 1.084 19522 10209 1 16 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.244 -0.662 19522 10210 1 16 . 1 1 15 15 PHE H H 15 8.308 8.308 8.367 -0.059 19522 10211 1 16 . 1 1 16 16 LEU N N 16 116.203 116.203 119.803 -3.600 19522 10212 1 16 . 1 1 16 16 LEU C C 16 175.618 175.618 178.487 -2.869 19522 10213 1 16 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.222 -0.644 19522 10214 1 16 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.795 -1.455 19522 10215 1 16 . 1 1 16 16 LEU H H 16 8.718 8.718 8.249 0.469 19522 10216 1 16 . 1 1 17 17 SER N N 17 113.607 113.607 115.496 -1.889 19522 10217 1 16 . 1 1 17 17 SER C C 17 176.980 176.980 176.422 0.558 19522 10218 1 16 . 1 1 17 17 SER CA C 17 62.150 62.150 62.263 -0.113 19522 10219 1 16 . 1 1 17 17 SER CB C 17 60.854 60.854 62.849 -1.995 19522 10220 1 16 . 1 1 17 17 SER H H 17 8.338 8.338 7.993 0.345 19522 10221 1 16 . 1 1 18 18 TYR N N 18 124.591 124.591 123.048 1.543 19522 10222 1 16 . 1 1 18 18 TYR C C 18 177.996 177.996 176.979 1.017 19522 10223 1 16 . 1 1 18 18 TYR CA C 18 59.279 59.279 61.002 -1.723 19522 10224 1 16 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.446 -2.101 19522 10225 1 16 . 1 1 18 18 TYR H H 18 8.228 8.228 8.270 -0.042 19522 10226 1 16 . 1 1 19 19 LYS N N 19 119.761 119.761 117.949 1.812 19522 10227 1 16 . 1 1 19 19 LYS C C 19 179.841 179.841 178.467 1.374 19522 10228 1 16 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.558 -1.475 19522 10229 1 16 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.396 -3.746 19522 10230 1 16 . 1 1 19 19 LYS H H 19 8.230 8.230 7.400 0.830 19522 10231 1 16 . 1 1 20 20 LEU N N 20 118.077 118.077 119.418 -1.341 19522 10232 1 16 . 1 1 20 20 LEU C C 20 179.654 179.654 177.333 2.321 19522 10233 1 16 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.776 1.202 19522 10234 1 16 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.935 -2.498 19522 10235 1 16 . 1 1 20 20 LEU H H 20 8.534 8.534 8.009 0.525 19522 10236 1 16 . 1 1 21 21 SER N N 21 117.073 117.073 111.468 5.605 19522 10237 1 16 . 1 1 21 21 SER C C 21 178.204 178.204 173.950 4.254 19522 10238 1 16 . 1 1 21 21 SER CA C 21 60.375 60.375 58.187 2.188 19522 10239 1 16 . 1 1 21 21 SER CB C 21 61.836 61.836 62.202 -0.366 19522 10240 1 16 . 1 1 21 21 SER H H 21 8.239 8.239 7.409 0.830 19522 10241 1 16 . 1 1 22 22 GLN N N 22 122.767 122.767 121.275 1.492 19522 10242 1 16 . 1 1 22 22 GLN C C 22 176.997 176.997 175.466 1.531 19522 10243 1 16 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.002 0.576 19522 10244 1 16 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.736 -2.604 19522 10245 1 16 . 1 1 22 22 GLN H H 22 7.632 7.632 7.412 0.220 19522 10246 1 16 . 1 1 23 23 LYS N N 23 116.016 116.016 116.657 -0.641 19522 10247 1 16 . 1 1 23 23 LYS C C 23 175.419 175.419 174.991 0.428 19522 10248 1 16 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.298 -3.355 19522 10249 1 16 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.638 -3.590 19522 10250 1 16 . 1 1 23 23 LYS H H 23 7.167 7.167 8.114 -0.947 19522 10251 1 16 . 1 1 24 24 GLY N N 24 105.329 105.329 110.579 -5.250 19522 10252 1 16 . 1 1 24 24 GLY C C 24 173.680 173.680 172.046 1.634 19522 10253 1 16 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.971 -0.658 19522 10254 1 16 . 1 1 24 24 GLY H H 24 7.504 7.504 8.137 -0.633 19522 10255 1 16 . 1 1 25 25 TYR N N 25 119.528 119.528 115.514 4.014 19522 10256 1 16 . 1 1 25 25 TYR C C 25 174.779 174.779 174.203 0.576 19522 10257 1 16 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.511 2.250 19522 10258 1 16 . 1 1 25 25 TYR CB C 25 39.301 39.301 39.364 -0.063 19522 10259 1 16 . 1 1 25 25 TYR H H 25 7.817 7.817 6.980 0.837 19522 10260 1 16 . 1 1 26 26 SER N N 26 115.815 115.815 120.366 -4.551 19522 10261 1 16 . 1 1 26 26 SER C C 26 173.860 173.860 175.868 -2.008 19522 10262 1 16 . 1 1 26 26 SER CA C 26 56.083 56.083 57.345 -1.262 19522 10263 1 16 . 1 1 26 26 SER CB C 26 63.275 63.275 63.755 -0.480 19522 10264 1 16 . 1 1 26 26 SER H H 26 8.475 8.475 8.021 0.454 19522 10265 1 16 . 1 1 27 27 TRP N N 27 126.476 126.476 122.037 4.439 19522 10266 1 16 . 1 1 27 27 TRP C C 27 174.141 174.141 177.224 -3.083 19522 10267 1 16 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.811 -0.411 19522 10268 1 16 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.059 0.151 19522 10269 1 16 . 1 1 27 27 TRP H H 27 8.720 8.720 7.907 0.813 19522 10270 1 16 . 1 1 28 28 SER N N 28 114.011 114.011 114.601 -0.590 19522 10271 1 16 . 1 1 28 28 SER C C 28 172.859 172.859 175.580 -2.721 19522 10272 1 16 . 1 1 28 28 SER CA C 28 66.186 66.186 60.298 5.888 19522 10273 1 16 . 1 1 28 28 SER CB C 28 61.996 61.996 62.214 -0.218 19522 10274 1 16 . 1 1 28 28 SER H H 28 8.034 8.034 7.708 0.326 19522 10275 1 16 . 1 1 29 29 GLN N N 29 120.138 120.138 119.117 1.021 19522 10276 1 16 . 1 1 29 29 GLN C C 29 177.250 177.250 176.569 0.681 19522 10277 1 16 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.658 -2.489 19522 10278 1 16 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.158 -0.819 19522 10279 1 16 . 1 1 29 29 GLN H H 29 7.323 7.323 7.492 -0.169 19522 10280 1 16 . 1 1 30 30 PHE N N 30 113.775 113.775 119.027 -5.252 19522 10281 1 16 . 1 1 30 30 PHE C C 30 176.814 176.814 176.739 0.075 19522 10282 1 16 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.018 -2.855 19522 10283 1 16 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.620 -1.780 19522 10284 1 16 . 1 1 30 30 PHE H H 30 6.778 6.778 7.291 -0.513 19522 10285 1 16 . 1 1 87 87 ALA N N 87 124.732 124.732 125.187 -0.455 19522 10286 1 16 . 1 1 87 87 ALA C C 87 175.941 175.941 177.096 -1.155 19522 10287 1 16 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.092 -2.242 19522 10288 1 16 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.352 -1.786 19522 10289 1 16 . 1 1 87 87 ALA H H 87 8.079 8.079 8.572 -0.493 19522 10290 1 16 . 1 1 88 88 ALA N N 88 121.664 121.664 128.638 -6.974 19522 10291 1 16 . 1 1 88 88 ALA C C 88 177.523 177.523 177.799 -0.276 19522 10292 1 16 . 1 1 88 88 ALA CA C 88 56.151 56.151 51.873 4.278 19522 10293 1 16 . 1 1 88 88 ALA CB C 88 17.463 17.463 18.578 -1.115 19522 10294 1 16 . 1 1 88 88 ALA H H 88 7.951 7.951 8.700 -0.749 19522 10295 1 16 . 1 1 89 89 VAL N N 89 119.415 119.415 123.887 -4.472 19522 10296 1 16 . 1 1 89 89 VAL C C 89 176.857 176.857 176.657 0.200 19522 10297 1 16 . 1 1 89 89 VAL CA C 89 61.836 61.836 65.684 -3.848 19522 10298 1 16 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.672 -0.601 19522 10299 1 16 . 1 1 89 89 VAL H H 89 8.161 8.161 8.039 0.122 19522 10300 1 16 . 1 1 90 90 LYS N N 90 121.221 121.221 118.873 2.348 19522 10301 1 16 . 1 1 90 90 LYS C C 90 175.559 175.559 178.562 -3.003 19522 10302 1 16 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.607 -3.524 19522 10303 1 16 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.616 -2.703 19522 10304 1 16 . 1 1 90 90 LYS H H 90 8.529 8.529 8.123 0.406 19522 10305 1 16 . 1 1 91 91 GLN N N 91 115.879 115.879 118.463 -2.584 19522 10306 1 16 . 1 1 91 91 GLN C C 91 176.950 176.950 177.895 -0.945 19522 10307 1 16 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.520 -0.599 19522 10308 1 16 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.047 -0.812 19522 10309 1 16 . 1 1 91 91 GLN H H 91 7.973 7.973 7.496 0.477 19522 10310 1 16 . 1 1 92 92 ALA N N 92 119.538 119.538 123.088 -3.550 19522 10311 1 16 . 1 1 92 92 ALA C C 92 179.537 179.537 179.842 -0.305 19522 10312 1 16 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.244 -0.999 19522 10313 1 16 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.268 -1.501 19522 10314 1 16 . 1 1 92 92 ALA H H 92 7.661 7.661 7.651 0.010 19522 10315 1 16 . 1 1 93 93 LEU N N 93 120.236 120.236 118.925 1.311 19522 10316 1 16 . 1 1 93 93 LEU C C 93 179.075 179.075 179.137 -0.062 19522 10317 1 16 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.271 0.516 19522 10318 1 16 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.409 0.148 19522 10319 1 16 . 1 1 93 93 LEU H H 93 8.544 8.544 8.326 0.218 19522 10320 1 16 . 1 1 94 94 ARG N N 94 118.361 118.361 120.402 -2.041 19522 10321 1 16 . 1 1 94 94 ARG C C 94 178.396 178.396 178.497 -0.101 19522 10322 1 16 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.810 -0.074 19522 10323 1 16 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.703 -1.612 19522 10324 1 16 . 1 1 94 94 ARG H H 94 8.057 8.057 8.086 -0.029 19522 10325 1 16 . 1 1 95 95 GLU N N 95 115.851 115.851 119.247 -3.396 19522 10326 1 16 . 1 1 95 95 GLU C C 95 179.794 179.794 179.148 0.646 19522 10327 1 16 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.779 -1.562 19522 10328 1 16 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.346 -1.255 19522 10329 1 16 . 1 1 95 95 GLU H H 95 7.737 7.737 8.135 -0.398 19522 10330 1 16 . 1 1 96 96 ALA N N 96 122.958 122.958 121.297 1.661 19522 10331 1 16 . 1 1 96 96 ALA C C 96 181.313 181.313 180.082 1.231 19522 10332 1 16 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.176 -0.874 19522 10333 1 16 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.356 -0.653 19522 10334 1 16 . 1 1 96 96 ALA H H 96 8.824 8.824 7.966 0.858 19522 10335 1 16 . 1 1 97 97 GLY N N 97 108.363 108.363 107.167 1.196 19522 10336 1 16 . 1 1 97 97 GLY C C 97 178.177 178.177 176.323 1.854 19522 10337 1 16 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.407 -1.416 19522 10338 1 16 . 1 1 97 97 GLY H H 97 9.088 9.088 8.511 0.578 19522 10339 1 16 . 1 1 98 98 ASP N N 98 122.197 122.197 122.368 -0.171 19522 10340 1 16 . 1 1 98 98 ASP C C 98 178.715 178.715 178.899 -0.184 19522 10341 1 16 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.702 -0.683 19522 10342 1 16 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.904 -2.425 19522 10343 1 16 . 1 1 98 98 ASP H H 98 8.102 8.102 8.537 -0.435 19522 10344 1 16 . 1 1 99 99 GLU N N 99 120.103 120.103 119.387 0.716 19522 10345 1 16 . 1 1 99 99 GLU C C 99 179.513 179.513 179.194 0.319 19522 10346 1 16 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.178 -5.426 19522 10347 1 16 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.725 -1.234 19522 10348 1 16 . 1 1 99 99 GLU H H 99 8.115 8.115 8.009 0.106 19522 10349 1 16 . 1 1 100 100 PHE N N 100 120.218 120.218 118.627 1.591 19522 10350 1 16 . 1 1 100 100 PHE C C 100 178.618 178.618 177.786 0.832 19522 10351 1 16 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.160 -3.700 19522 10352 1 16 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.667 0.669 19522 10353 1 16 . 1 1 100 100 PHE H H 100 8.535 8.535 8.218 0.317 19522 10354 1 16 . 1 1 101 101 GLU N N 101 117.531 117.531 121.236 -3.705 19522 10355 1 16 . 1 1 101 101 GLU C C 101 177.339 177.339 179.066 -1.727 19522 10356 1 16 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.242 -2.641 19522 10357 1 16 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.837 -1.244 19522 10358 1 16 . 1 1 101 101 GLU H H 101 8.032 8.032 8.538 -0.506 19522 10359 1 16 . 1 1 102 102 LEU N N 102 116.641 116.641 115.812 0.829 19522 10360 1 16 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.858 -1.270 19522 10361 1 16 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.549 -0.776 19522 10362 1 16 . 1 1 102 102 LEU H H 102 7.369 7.369 7.768 -0.399 19522 10363 1 16 . 1 1 103 103 ARG N N 103 115.854 115.854 118.288 -2.434 19522 10364 1 16 . 1 1 103 103 ARG C C 103 177.605 177.605 177.620 -0.015 19522 10365 1 16 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.169 0.818 19522 10366 1 16 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.164 -0.014 19522 10367 1 16 . 1 1 103 103 ARG H H 103 7.472 7.472 7.743 -0.271 19522 10368 1 16 . 1 1 104 104 TYR N N 104 119.078 119.078 119.618 -0.540 19522 10369 1 16 . 1 1 104 104 TYR C C 104 174.962 174.962 177.353 -2.391 19522 10370 1 16 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.236 -0.395 19522 10371 1 16 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.987 -2.359 19522 10372 1 16 . 1 1 104 104 TYR H H 104 7.904 7.904 7.903 0.001 19522 10373 1 16 . 1 1 105 105 ARG N N 105 119.378 119.378 118.583 0.795 19522 10374 1 16 . 1 1 105 105 ARG C C 105 178.395 178.395 177.023 1.372 19522 10375 1 16 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.898 1.023 19522 10376 1 16 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.163 -1.369 19522 10377 1 16 . 1 1 105 105 ARG H H 105 7.195 7.195 8.618 -1.423 19522 10378 1 16 . 1 1 106 106 ARG N N 106 118.875 118.875 119.663 -0.788 19522 10379 1 16 . 1 1 106 106 ARG C C 106 177.257 177.257 176.309 0.948 19522 10380 1 16 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.530 1.385 19522 10381 1 16 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.276 -2.722 19522 10382 1 16 . 1 1 106 106 ARG H H 106 8.452 8.452 7.918 0.534 19522 10383 1 16 . 1 1 107 107 ALA N N 107 121.864 121.864 121.984 -0.120 19522 10384 1 16 . 1 1 107 107 ALA C C 107 175.701 175.701 176.553 -0.852 19522 10385 1 16 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.181 0.463 19522 10386 1 16 . 1 1 107 107 ALA CB C 107 17.063 17.063 17.247 -0.184 19522 10387 1 16 . 1 1 107 107 ALA H H 107 7.839 7.839 7.879 -0.040 19522 10388 1 16 . 1 1 108 108 PHE N N 108 121.984 121.984 119.823 2.161 19522 10389 1 16 . 1 1 108 108 PHE C C 108 174.982 174.982 174.481 0.501 19522 10390 1 16 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.669 0.373 19522 10391 1 16 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.149 1.689 19522 10392 1 16 . 1 1 108 108 PHE H H 108 8.392 8.392 7.800 0.592 19522 10393 1 16 . 1 1 109 109 SER N N 109 114.585 114.585 116.466 -1.881 19522 10394 1 16 . 1 1 109 109 SER C C 109 175.421 175.421 174.617 0.804 19522 10395 1 16 . 1 1 109 109 SER CA C 109 55.044 55.044 56.483 -1.439 19522 10396 1 16 . 1 1 109 109 SER CB C 109 63.241 63.241 66.168 -2.927 19522 10397 1 16 . 1 1 109 109 SER H H 109 7.810 7.810 8.230 -0.420 19522 10398 1 16 . 1 1 110 110 ASP N N 110 119.725 119.725 122.733 -3.008 19522 10399 1 16 . 1 1 110 110 ASP C C 110 178.196 178.196 178.568 -0.372 19522 10400 1 16 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.580 -1.599 19522 10401 1 16 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.470 -2.630 19522 10402 1 16 . 1 1 110 110 ASP H H 110 8.380 8.380 8.608 -0.228 19522 10403 1 16 . 1 1 111 111 LEU N N 111 120.827 120.827 119.913 0.914 19522 10404 1 16 . 1 1 111 111 LEU C C 111 178.804 178.804 178.418 0.386 19522 10405 1 16 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.177 -1.078 19522 10406 1 16 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.908 -1.111 19522 10407 1 16 . 1 1 111 111 LEU H H 111 7.783 7.783 8.244 -0.461 19522 10408 1 16 . 1 1 112 112 THR N N 112 109.101 109.101 114.601 -5.500 19522 10409 1 16 . 1 1 112 112 THR C C 112 177.157 177.157 177.334 -0.177 19522 10410 1 16 . 1 1 112 112 THR CA C 112 64.690 64.690 66.412 -1.722 19522 10411 1 16 . 1 1 112 112 THR CB C 112 67.407 67.407 68.406 -0.999 19522 10412 1 16 . 1 1 112 112 THR H H 112 8.331 8.331 7.830 0.501 19522 10413 1 16 . 1 1 113 113 SER N N 113 115.811 115.811 118.267 -2.456 19522 10414 1 16 . 1 1 113 113 SER C C 113 175.319 175.319 176.809 -1.490 19522 10415 1 16 . 1 1 113 113 SER CA C 113 59.736 59.736 61.149 -1.413 19522 10416 1 16 . 1 1 113 113 SER CB C 113 62.213 62.213 63.031 -0.818 19522 10417 1 16 . 1 1 113 113 SER H H 113 7.645 7.645 7.793 -0.148 19522 10418 1 16 . 1 1 114 114 GLN N N 114 118.421 118.421 122.913 -4.492 19522 10419 1 16 . 1 1 114 114 GLN C C 114 175.978 175.978 178.107 -2.129 19522 10420 1 16 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.405 -1.946 19522 10421 1 16 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.557 -0.546 19522 10422 1 16 . 1 1 114 114 GLN H H 114 7.614 7.614 8.226 -0.612 19522 10423 1 16 . 1 1 115 115 LEU N N 115 118.236 118.236 118.072 0.164 19522 10424 1 16 . 1 1 115 115 LEU C C 115 176.198 176.198 177.527 -1.329 19522 10425 1 16 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.190 -1.386 19522 10426 1 16 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.650 -0.095 19522 10427 1 16 . 1 1 115 115 LEU H H 115 7.383 7.383 8.253 -0.870 19522 10428 1 16 . 1 1 116 116 HIS N N 116 119.694 119.694 116.421 3.273 19522 10429 1 16 . 1 1 116 116 HIS C C 116 174.122 174.122 174.322 -0.200 19522 10430 1 16 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.486 -1.107 19522 10431 1 16 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.135 -0.884 19522 10432 1 16 . 1 1 116 116 HIS H H 116 8.158 8.158 7.884 0.274 19522 10433 1 16 . 1 1 117 117 ILE N N 117 122.347 122.347 113.662 8.685 19522 10434 1 16 . 1 1 117 117 ILE C C 117 176.377 176.377 175.415 0.962 19522 10435 1 16 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.945 -1.228 19522 10436 1 16 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.577 1.647 19522 10437 1 16 . 1 1 117 117 ILE H H 117 8.658 8.658 8.092 0.566 19522 10438 1 16 . 1 1 118 118 THR N N 118 115.798 115.798 118.036 -2.238 19522 10439 1 16 . 1 1 118 118 THR CA C 118 57.921 57.921 59.866 -1.945 19522 10440 1 16 . 1 1 118 118 THR CB C 118 63.434 63.434 68.642 -5.208 19522 10441 1 16 . 1 1 118 118 THR H H 118 8.227 8.227 8.148 0.079 19522 10442 1 16 . 1 1 120 120 GLY N N 120 109.574 109.574 107.798 1.776 19522 10443 1 16 . 1 1 120 120 GLY C C 120 180.495 180.495 173.594 6.901 19522 10444 1 16 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.633 -1.240 19522 10445 1 16 . 1 1 120 120 GLY H H 120 8.429 8.429 7.975 0.454 19522 10446 1 16 . 1 1 121 121 THR N N 121 113.419 113.419 116.612 -3.193 19522 10447 1 16 . 1 1 121 121 THR C C 121 178.096 178.096 173.694 4.402 19522 10448 1 16 . 1 1 121 121 THR CA C 121 62.041 62.041 62.366 -0.325 19522 10449 1 16 . 1 1 121 121 THR CB C 121 63.994 63.994 66.607 -2.613 19522 10450 1 16 . 1 1 121 121 THR H H 121 7.774 7.774 8.099 -0.325 19522 10451 1 16 . 1 1 122 122 ALA N N 122 121.876 121.876 125.730 -3.854 19522 10452 1 16 . 1 1 122 122 ALA C C 122 177.397 177.397 176.571 0.826 19522 10453 1 16 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.564 -0.940 19522 10454 1 16 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.562 -2.037 19522 10455 1 16 . 1 1 122 122 ALA H H 122 7.944 7.944 8.192 -0.248 19522 10456 1 16 . 1 1 123 123 TYR N N 123 120.931 120.931 115.396 5.535 19522 10457 1 16 . 1 1 123 123 TYR C C 123 176.060 176.060 177.340 -1.280 19522 10458 1 16 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.198 1.857 19522 10459 1 16 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.998 -2.515 19522 10460 1 16 . 1 1 123 123 TYR H H 123 8.748 8.748 7.397 1.351 19522 10461 1 16 . 1 1 124 124 GLN N N 124 115.002 115.002 120.922 -5.920 19522 10462 1 16 . 1 1 124 124 GLN C C 124 178.098 178.098 178.365 -0.267 19522 10463 1 16 . 1 1 124 124 GLN CA C 124 58.640 58.640 58.989 -0.349 19522 10464 1 16 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.422 -1.906 19522 10465 1 16 . 1 1 124 124 GLN H H 124 8.454 8.454 7.469 0.985 19522 10466 1 16 . 1 1 125 125 SER N N 125 114.135 114.135 115.493 -1.358 19522 10467 1 16 . 1 1 125 125 SER C C 125 179.557 179.557 176.165 3.392 19522 10468 1 16 . 1 1 125 125 SER CA C 125 61.357 61.357 61.497 -0.140 19522 10469 1 16 . 1 1 125 125 SER CB C 125 61.357 61.357 62.676 -1.319 19522 10470 1 16 . 1 1 125 125 SER H H 125 7.283 7.283 7.636 -0.353 19522 10471 1 16 . 1 1 126 126 PHE N N 126 113.327 113.327 123.577 -10.250 19522 10472 1 16 . 1 1 126 126 PHE C C 126 174.879 174.879 176.821 -1.942 19522 10473 1 16 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.752 0.365 19522 10474 1 16 . 1 1 126 126 PHE CB C 126 37.703 37.703 38.907 -1.204 19522 10475 1 16 . 1 1 126 126 PHE H H 126 6.606 6.606 7.937 -1.331 19522 10476 1 16 . 1 1 127 127 GLU N N 127 119.398 119.398 118.901 0.497 19522 10477 1 16 . 1 1 127 127 GLU C C 127 176.857 176.857 178.865 -2.008 19522 10478 1 16 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.753 -1.695 19522 10479 1 16 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.178 -0.288 19522 10480 1 16 . 1 1 127 127 GLU H H 127 8.546 8.546 7.830 0.716 19522 10481 1 16 . 1 1 128 128 GLN N N 128 114.754 114.754 119.542 -4.788 19522 10482 1 16 . 1 1 128 128 GLN C C 128 178.356 178.356 178.432 -0.076 19522 10483 1 16 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.643 -0.563 19522 10484 1 16 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.419 -1.424 19522 10485 1 16 . 1 1 128 128 GLN H H 128 7.525 7.525 8.174 -0.649 19522 10486 1 16 . 1 1 129 129 VAL N N 129 118.194 118.194 118.828 -0.634 19522 10487 1 16 . 1 1 129 129 VAL C C 129 177.756 177.756 178.856 -1.100 19522 10488 1 16 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.309 -1.219 19522 10489 1 16 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.396 -1.147 19522 10490 1 16 . 1 1 129 129 VAL H H 129 7.036 7.036 7.901 -0.865 19522 10491 1 16 . 1 1 130 130 VAL N N 130 119.459 119.459 120.247 -0.788 19522 10492 1 16 . 1 1 130 130 VAL C C 130 177.714 177.714 178.087 -0.373 19522 10493 1 16 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.340 -0.931 19522 10494 1 16 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.569 -1.097 19522 10495 1 16 . 1 1 130 130 VAL H H 130 7.831 7.831 8.381 -0.550 19522 10496 1 16 . 1 1 131 131 ASN N N 131 117.212 117.212 117.348 -0.136 19522 10497 1 16 . 1 1 131 131 ASN C C 131 178.775 178.775 177.161 1.614 19522 10498 1 16 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.467 -1.823 19522 10499 1 16 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.547 -2.282 19522 10500 1 16 . 1 1 131 131 ASN H H 131 8.374 8.374 8.576 -0.202 19522 10501 1 16 . 1 1 132 132 GLU N N 132 118.393 118.393 120.042 -1.649 19522 10502 1 16 . 1 1 132 132 GLU C C 132 179.097 179.097 178.425 0.672 19522 10503 1 16 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.846 -0.868 19522 10504 1 16 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.315 -1.943 19522 10505 1 16 . 1 1 132 132 GLU H H 132 7.226 7.226 7.546 -0.320 19522 10506 1 16 . 1 1 133 133 LEU N N 133 120.835 120.835 119.189 1.646 19522 10507 1 16 . 1 1 133 133 LEU C C 133 178.016 178.016 178.002 0.014 19522 10508 1 16 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.396 -0.594 19522 10509 1 16 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.419 -1.638 19522 10510 1 16 . 1 1 133 133 LEU H H 133 7.467 7.467 7.402 0.065 19522 10511 1 16 . 1 1 134 134 PHE N N 134 112.847 112.847 117.759 -4.912 19522 10512 1 16 . 1 1 134 134 PHE C C 134 176.258 176.258 177.578 -1.320 19522 10513 1 16 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.445 -3.906 19522 10514 1 16 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.263 -0.400 19522 10515 1 16 . 1 1 134 134 PHE H H 134 6.926 6.926 7.190 -0.264 19522 10516 1 16 . 1 1 135 135 ARG N N 135 123.664 123.664 117.641 6.023 19522 10517 1 16 . 1 1 135 135 ARG C C 135 176.957 176.957 177.068 -0.111 19522 10518 1 16 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.462 0.475 19522 10519 1 16 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.345 -2.334 19522 10520 1 16 . 1 1 135 135 ARG H H 135 7.144 7.144 7.891 -0.747 19522 10521 1 16 . 1 1 136 136 ASP N N 136 116.448 116.448 115.960 0.488 19522 10522 1 16 . 1 1 136 136 ASP C C 136 175.339 175.339 177.059 -1.720 19522 10523 1 16 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.242 -0.899 19522 10524 1 16 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.402 -4.804 19522 10525 1 16 . 1 1 136 136 ASP H H 136 8.607 8.607 7.477 1.130 19522 10526 1 16 . 1 1 137 137 GLY N N 137 108.506 108.506 108.981 -0.475 19522 10527 1 16 . 1 1 137 137 GLY C C 137 172.324 172.324 173.878 -1.554 19522 10528 1 16 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.782 -1.987 19522 10529 1 16 . 1 1 137 137 GLY H H 137 7.468 7.468 8.372 -0.904 19522 10530 1 16 . 1 1 138 138 VAL N N 138 120.519 120.519 124.520 -4.001 19522 10531 1 16 . 1 1 138 138 VAL C C 138 174.160 174.160 174.538 -0.378 19522 10532 1 16 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.520 0.373 19522 10533 1 16 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.910 0.898 19522 10534 1 16 . 1 1 138 138 VAL H H 138 8.181 8.181 8.403 -0.222 19522 10535 1 16 . 1 1 139 139 ASN N N 139 115.573 115.573 122.170 -6.597 19522 10536 1 16 . 1 1 139 139 ASN C C 139 174.959 174.959 175.531 -0.572 19522 10537 1 16 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.688 -0.663 19522 10538 1 16 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.115 -1.476 19522 10539 1 16 . 1 1 139 139 ASN H H 139 6.261 6.261 7.563 -1.302 19522 10540 1 16 . 1 1 140 140 TRP N N 140 118.231 118.231 126.722 -8.491 19522 10541 1 16 . 1 1 140 140 TRP C C 140 177.976 177.976 177.664 0.312 19522 10542 1 16 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.403 0.732 19522 10543 1 16 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.126 -0.517 19522 10544 1 16 . 1 1 140 140 TRP H H 140 8.413 8.413 9.289 -0.876 19522 10545 1 16 . 1 1 141 141 GLY N N 141 106.238 106.238 105.012 1.226 19522 10546 1 16 . 1 1 141 141 GLY C C 141 177.297 177.297 175.684 1.613 19522 10547 1 16 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.050 0.421 19522 10548 1 16 . 1 1 141 141 GLY H H 141 8.494 8.494 8.826 -0.332 19522 10549 1 16 . 1 1 142 142 ARG N N 142 121.156 121.156 121.857 -0.701 19522 10550 1 16 . 1 1 142 142 ARG C C 142 177.457 177.457 177.833 -0.376 19522 10551 1 16 . 1 1 142 142 ARG CA C 142 57.498 57.498 56.946 0.552 19522 10552 1 16 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.425 -0.816 19522 10553 1 16 . 1 1 142 142 ARG H H 142 8.104 8.104 7.650 0.454 19522 10554 1 16 . 1 1 143 143 ILE N N 143 120.888 120.888 120.827 0.061 19522 10555 1 16 . 1 1 143 143 ILE C C 143 177.756 177.756 177.304 0.452 19522 10556 1 16 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.331 1.558 19522 10557 1 16 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.866 -2.263 19522 10558 1 16 . 1 1 143 143 ILE H H 143 7.696 7.696 7.879 -0.183 19522 10559 1 16 . 1 1 144 144 VAL N N 144 120.958 120.958 118.707 2.251 19522 10560 1 16 . 1 1 144 144 VAL C C 144 177.557 177.557 177.647 -0.090 19522 10561 1 16 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.722 0.366 19522 10562 1 16 . 1 1 144 144 VAL CB C 144 30.089 30.089 29.973 0.116 19522 10563 1 16 . 1 1 144 144 VAL H H 144 8.229 8.229 7.480 0.749 19522 10564 1 16 . 1 1 145 145 ALA N N 145 121.229 121.229 122.802 -1.573 19522 10565 1 16 . 1 1 145 145 ALA C C 145 177.999 177.999 179.101 -1.102 19522 10566 1 16 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.981 -0.919 19522 10567 1 16 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.258 -1.275 19522 10568 1 16 . 1 1 145 145 ALA H H 145 7.579 7.579 7.617 -0.038 19522 10569 1 16 . 1 1 146 146 PHE N N 146 119.338 119.338 120.050 -0.712 19522 10570 1 16 . 1 1 146 146 PHE C C 146 179.432 179.432 177.137 2.295 19522 10571 1 16 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.764 -0.595 19522 10572 1 16 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.031 -1.168 19522 10573 1 16 . 1 1 146 146 PHE H H 146 7.985 7.985 8.381 -0.396 19522 10574 1 16 . 1 1 147 147 PHE N N 147 119.900 119.900 117.513 2.387 19522 10575 1 16 . 1 1 147 147 PHE C C 147 177.399 177.399 177.704 -0.305 19522 10576 1 16 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.192 -3.073 19522 10577 1 16 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.452 0.986 19522 10578 1 16 . 1 1 147 147 PHE H H 147 7.824 7.824 8.421 -0.597 19522 10579 1 16 . 1 1 148 148 SER N N 148 114.725 114.725 116.686 -1.961 19522 10580 1 16 . 1 1 148 148 SER C C 148 177.357 177.357 176.144 1.213 19522 10581 1 16 . 1 1 148 148 SER CA C 148 63.115 63.115 62.174 0.941 19522 10582 1 16 . 1 1 148 148 SER CB C 148 61.893 61.893 62.364 -0.471 19522 10583 1 16 . 1 1 148 148 SER H H 148 8.423 8.423 7.947 0.476 19522 10584 1 16 . 1 1 149 149 PHE N N 149 124.361 124.361 121.438 2.923 19522 10585 1 16 . 1 1 149 149 PHE C C 149 176.338 176.338 178.125 -1.787 19522 10586 1 16 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.589 -2.253 19522 10587 1 16 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.511 -1.230 19522 10588 1 16 . 1 1 149 149 PHE H H 149 9.097 9.097 8.369 0.728 19522 10589 1 16 . 1 1 150 150 GLY N N 150 105.935 105.935 105.659 0.276 19522 10590 1 16 . 1 1 150 150 GLY C C 150 176.398 176.398 176.135 0.263 19522 10591 1 16 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.499 0.531 19522 10592 1 16 . 1 1 150 150 GLY H H 150 7.937 7.937 7.874 0.063 19522 10593 1 16 . 1 1 151 151 GLY N N 151 107.449 107.449 109.965 -2.516 19522 10594 1 16 . 1 1 151 151 GLY C C 151 174.300 174.300 175.500 -1.200 19522 10595 1 16 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.616 0.334 19522 10596 1 16 . 1 1 151 151 GLY H H 151 8.803 8.803 8.175 0.628 19522 10597 1 16 . 1 1 152 152 ALA N N 152 124.384 124.384 123.951 0.433 19522 10598 1 16 . 1 1 152 152 ALA C C 152 177.636 177.636 179.427 -1.791 19522 10599 1 16 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.508 -0.366 19522 10600 1 16 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.437 -1.374 19522 10601 1 16 . 1 1 152 152 ALA H H 152 8.232 8.232 8.041 0.191 19522 10602 1 16 . 1 1 153 153 LEU N N 153 118.871 118.871 119.759 -0.888 19522 10603 1 16 . 1 1 153 153 LEU C C 153 179.937 179.937 178.528 1.409 19522 10604 1 16 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.295 -0.707 19522 10605 1 16 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.687 -1.027 19522 10606 1 16 . 1 1 153 153 LEU H H 153 8.159 8.159 7.572 0.587 19522 10607 1 16 . 1 1 154 154 CYS N N 154 118.554 118.554 118.185 0.369 19522 10608 1 16 . 1 1 154 154 CYS C C 154 177.332 177.332 176.623 0.709 19522 10609 1 16 . 1 1 154 154 CYS CA C 154 60.296 60.296 63.084 -2.788 19522 10610 1 16 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.398 -2.161 19522 10611 1 16 . 1 1 154 154 CYS H H 154 8.049 8.049 8.289 -0.240 19522 10612 1 16 . 1 1 155 155 VAL N N 155 118.474 118.474 121.280 -2.806 19522 10613 1 16 . 1 1 155 155 VAL C C 155 175.723 175.723 178.538 -2.815 19522 10614 1 16 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.562 -0.433 19522 10615 1 16 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.846 -0.118 19522 10616 1 16 . 1 1 155 155 VAL H H 155 8.016 8.016 7.525 0.491 19522 10617 1 16 . 1 1 156 156 GLU N N 156 119.114 119.114 118.678 0.436 19522 10618 1 16 . 1 1 156 156 GLU C C 156 178.036 178.036 179.031 -0.995 19522 10619 1 16 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.270 3.008 19522 10620 1 16 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.876 -1.424 19522 10621 1 16 . 1 1 156 156 GLU H H 156 8.025 8.025 7.908 0.117 19522 10622 1 16 . 1 1 157 157 SER N N 157 113.391 113.391 116.462 -3.071 19522 10623 1 16 . 1 1 157 157 SER C C 157 175.299 175.299 176.238 -0.939 19522 10624 1 16 . 1 1 157 157 SER CA C 157 62.373 62.373 62.372 0.001 19522 10625 1 16 . 1 1 157 157 SER CB C 157 60.854 60.854 63.243 -2.389 19522 10626 1 16 . 1 1 157 157 SER H H 157 7.629 7.629 7.997 -0.368 19522 10627 1 16 . 1 1 158 158 VAL N N 158 120.493 120.493 120.961 -0.468 19522 10628 1 16 . 1 1 158 158 VAL C C 158 173.977 173.977 177.575 -3.598 19522 10629 1 16 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.297 1.432 19522 10630 1 16 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.953 -1.344 19522 10631 1 16 . 1 1 158 158 VAL H H 158 7.374 7.374 7.529 -0.155 19522 10632 1 16 . 1 1 159 159 ASP N N 159 123.215 123.215 122.220 0.995 19522 10633 1 16 . 1 1 159 159 ASP C C 159 177.696 177.696 177.705 -0.009 19522 10634 1 16 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.720 -0.101 19522 10635 1 16 . 1 1 159 159 ASP CB C 159 39.918 39.918 41.001 -1.083 19522 10636 1 16 . 1 1 159 159 ASP H H 159 8.309 8.309 8.371 -0.062 19522 10637 1 16 . 1 1 160 160 LYS N N 160 115.648 115.648 118.046 -2.398 19522 10638 1 16 . 1 1 160 160 LYS C C 160 174.839 174.839 175.588 -0.749 19522 10639 1 16 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.852 -0.751 19522 10640 1 16 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.929 -2.442 19522 10641 1 16 . 1 1 160 160 LYS H H 160 7.541 7.541 7.547 -0.006 19522 10642 1 16 . 1 1 161 161 GLU N N 161 113.911 113.911 118.338 -4.427 19522 10643 1 16 . 1 1 161 161 GLU C C 161 175.781 175.781 176.481 -0.700 19522 10644 1 16 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.123 -1.345 19522 10645 1 16 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.078 -3.024 19522 10646 1 16 . 1 1 161 161 GLU H H 161 7.842 7.842 7.894 -0.052 19522 10647 1 16 . 1 1 162 162 MET N N 162 118.882 118.882 117.079 1.803 19522 10648 1 16 . 1 1 162 162 MET C C 162 176.597 176.597 177.338 -0.741 19522 10649 1 16 . 1 1 162 162 MET CA C 162 52.646 52.646 57.334 -4.688 19522 10650 1 16 . 1 1 162 162 MET CB C 162 30.488 30.488 33.964 -3.476 19522 10651 1 16 . 1 1 162 162 MET H H 162 8.420 8.420 8.672 -0.252 19522 10652 1 16 . 1 1 163 163 GLN N N 163 119.366 119.366 117.715 1.651 19522 10653 1 16 . 1 1 163 163 GLN C C 163 177.397 177.397 177.488 -0.091 19522 10654 1 16 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.537 0.639 19522 10655 1 16 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.188 -1.095 19522 10656 1 16 . 1 1 163 163 GLN H H 163 8.615 8.615 8.192 0.423 19522 10657 1 16 . 1 1 164 164 VAL N N 164 116.957 116.957 121.071 -4.114 19522 10658 1 16 . 1 1 164 164 VAL C C 164 175.459 175.459 177.226 -1.767 19522 10659 1 16 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.501 -2.649 19522 10660 1 16 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.414 -1.325 19522 10661 1 16 . 1 1 164 164 VAL H H 164 7.938 7.938 8.136 -0.198 19522 10662 1 16 . 1 1 165 165 LEU N N 165 117.124 117.124 119.908 -2.784 19522 10663 1 16 . 1 1 165 165 LEU C C 165 177.714 177.714 178.425 -0.711 19522 10664 1 16 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.090 -2.407 19522 10665 1 16 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.855 -2.177 19522 10666 1 16 . 1 1 165 165 LEU H H 165 7.741 7.741 7.719 0.022 19522 10667 1 16 . 1 1 166 166 VAL N N 166 119.434 119.434 117.594 1.840 19522 10668 1 16 . 1 1 166 166 VAL C C 166 176.817 176.817 178.061 -1.244 19522 10669 1 16 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.314 1.534 19522 10670 1 16 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.265 -1.895 19522 10671 1 16 . 1 1 166 166 VAL H H 166 7.342 7.342 8.257 -0.915 19522 10672 1 16 . 1 1 167 167 SER N N 167 110.775 110.775 116.090 -5.315 19522 10673 1 16 . 1 1 167 167 SER C C 167 176.737 176.737 176.252 0.485 19522 10674 1 16 . 1 1 167 167 SER CA C 167 60.215 60.215 61.777 -1.562 19522 10675 1 16 . 1 1 167 167 SER CB C 167 61.654 61.654 62.790 -1.136 19522 10676 1 16 . 1 1 167 167 SER H H 167 8.099 8.099 8.401 -0.302 19522 10677 1 16 . 1 1 168 168 ARG N N 168 122.916 122.916 120.068 2.848 19522 10678 1 16 . 1 1 168 168 ARG C C 168 175.439 175.439 177.716 -2.277 19522 10679 1 16 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.221 3.394 19522 10680 1 16 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.571 -2.560 19522 10681 1 16 . 1 1 168 168 ARG H H 168 6.596 6.596 7.519 -0.923 19522 10682 1 16 . 1 1 169 169 ILE N N 169 118.335 118.335 121.160 -2.825 19522 10683 1 16 . 1 1 169 169 ILE C C 169 177.779 177.779 177.686 0.093 19522 10684 1 16 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.678 -1.547 19522 10685 1 16 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.714 -0.753 19522 10686 1 16 . 1 1 169 169 ILE H H 169 7.928 7.928 7.824 0.104 19522 10687 1 16 . 1 1 170 170 ALA N N 170 119.271 119.271 121.294 -2.023 19522 10688 1 16 . 1 1 170 170 ALA C C 170 179.195 179.195 179.152 0.043 19522 10689 1 16 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.631 -1.729 19522 10690 1 16 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.828 -1.004 19522 10691 1 16 . 1 1 170 170 ALA H H 170 7.672 7.672 8.112 -0.440 19522 10692 1 16 . 1 1 171 171 ALA N N 171 120.393 120.393 121.732 -1.339 19522 10693 1 16 . 1 1 171 171 ALA C C 171 180.833 180.833 179.608 1.225 19522 10694 1 16 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.648 -0.506 19522 10695 1 16 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.858 -1.354 19522 10696 1 16 . 1 1 171 171 ALA H H 171 7.258 7.258 7.806 -0.548 19522 10697 1 16 . 1 1 172 172 TRP N N 172 121.501 121.501 118.801 2.700 19522 10698 1 16 . 1 1 172 172 TRP C C 172 179.350 179.350 178.565 0.785 19522 10699 1 16 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.772 -2.753 19522 10700 1 16 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.698 -1.406 19522 10701 1 16 . 1 1 172 172 TRP H H 172 8.936 8.936 7.620 1.316 19522 10702 1 16 . 1 1 173 173 MET N N 173 117.211 117.211 119.509 -2.298 19522 10703 1 16 . 1 1 173 173 MET C C 173 176.158 176.158 178.273 -2.115 19522 10704 1 16 . 1 1 173 173 MET CA C 173 60.238 60.238 59.374 0.864 19522 10705 1 16 . 1 1 173 173 MET CB C 173 28.833 28.833 32.917 -4.084 19522 10706 1 16 . 1 1 173 173 MET H H 173 8.885 8.885 8.789 0.096 19522 10707 1 16 . 1 1 174 174 ALA N N 174 120.901 120.901 120.859 0.042 19522 10708 1 16 . 1 1 174 174 ALA C C 174 178.875 178.875 179.530 -0.655 19522 10709 1 16 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.545 -0.684 19522 10710 1 16 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.024 -1.337 19522 10711 1 16 . 1 1 174 174 ALA H H 174 8.206 8.206 8.441 -0.235 19522 10712 1 16 . 1 1 175 175 THR N N 175 116.591 116.591 117.512 -0.921 19522 10713 1 16 . 1 1 175 175 THR C C 175 174.782 174.782 176.644 -1.862 19522 10714 1 16 . 1 1 175 175 THR CA C 175 66.209 66.209 67.056 -0.847 19522 10715 1 16 . 1 1 175 175 THR CB C 175 68.046 68.046 68.620 -0.574 19522 10716 1 16 . 1 1 175 175 THR H H 175 8.530 8.530 7.823 0.707 19522 10717 1 16 . 1 1 176 176 TYR N N 176 123.375 123.375 123.102 0.273 19522 10718 1 16 . 1 1 176 176 TYR C C 176 179.255 179.255 177.323 1.932 19522 10719 1 16 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.767 1.606 19522 10720 1 16 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.700 -0.837 19522 10721 1 16 . 1 1 176 176 TYR H H 176 8.822 8.822 8.449 0.373 19522 10722 1 16 . 1 1 177 177 LEU N N 177 119.511 119.511 121.484 -1.973 19522 10723 1 16 . 1 1 177 177 LEU C C 177 177.979 177.979 178.481 -0.502 19522 10724 1 16 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.638 -0.181 19522 10725 1 16 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.863 -0.587 19522 10726 1 16 . 1 1 177 177 LEU H H 177 8.759 8.759 8.751 0.008 19522 10727 1 16 . 1 1 178 178 ASN N N 178 117.233 117.233 116.878 0.355 19522 10728 1 16 . 1 1 178 178 ASN C C 178 176.021 176.021 176.942 -0.921 19522 10729 1 16 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.319 -0.476 19522 10730 1 16 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.433 -0.330 19522 10731 1 16 . 1 1 178 178 ASN H H 178 8.333 8.333 8.030 0.303 19522 10732 1 16 . 1 1 179 179 ASP N N 179 115.264 115.264 118.681 -3.417 19522 10733 1 16 . 1 1 179 179 ASP C C 179 177.557 177.557 177.048 0.509 19522 10734 1 16 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.617 -0.717 19522 10735 1 16 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.395 -2.116 19522 10736 1 16 . 1 1 179 179 ASP H H 179 8.451 8.451 8.052 0.399 19522 10737 1 16 . 1 1 180 180 HIS N N 180 111.728 111.728 115.822 -4.094 19522 10738 1 16 . 1 1 180 180 HIS C C 180 175.479 175.479 176.892 -1.413 19522 10739 1 16 . 1 1 180 180 HIS CA C 180 55.421 55.421 57.125 -1.704 19522 10740 1 16 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.312 -2.703 19522 10741 1 16 . 1 1 180 180 HIS H H 180 8.073 8.073 7.880 0.193 19522 10742 1 16 . 1 1 181 181 LEU N N 181 116.833 116.833 121.356 -4.523 19522 10743 1 16 . 1 1 181 181 LEU C C 181 176.160 176.160 178.681 -2.521 19522 10744 1 16 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.765 -3.744 19522 10745 1 16 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.932 -0.176 19522 10746 1 16 . 1 1 181 181 LEU H H 181 7.183 7.183 7.694 -0.511 19522 10747 1 16 . 1 1 182 182 GLU N N 182 121.364 121.364 118.708 2.656 19522 10748 1 16 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.732 -0.718 19522 10749 1 16 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.650 -1.694 19522 10750 1 16 . 1 1 182 182 GLU H H 182 8.596 8.596 8.828 -0.232 19522 10751 1 16 . 1 1 184 184 TRP N N 184 117.804 117.804 119.382 -1.578 19522 10752 1 16 . 1 1 184 184 TRP C C 184 179.217 179.217 177.582 1.635 19522 10753 1 16 . 1 1 184 184 TRP CA C 184 65.672 65.672 58.917 6.755 19522 10754 1 16 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.261 -1.188 19522 10755 1 16 . 1 1 184 184 TRP H H 184 7.070 7.070 7.616 -0.546 19522 10756 1 16 . 1 1 185 185 ILE N N 185 121.825 121.825 119.497 2.328 19522 10757 1 16 . 1 1 185 185 ILE C C 185 178.655 178.655 178.216 0.439 19522 10758 1 16 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.979 0.293 19522 10759 1 16 . 1 1 185 185 ILE CB C 185 35.945 35.945 38.007 -2.062 19522 10760 1 16 . 1 1 185 185 ILE H H 185 8.396 8.396 8.450 -0.054 19522 10761 1 16 . 1 1 186 186 GLN N N 186 116.489 116.489 116.819 -0.330 19522 10762 1 16 . 1 1 186 186 GLN C C 186 179.035 179.035 175.553 3.482 19522 10763 1 16 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.987 0.831 19522 10764 1 16 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.015 -0.202 19522 10765 1 16 . 1 1 186 186 GLN H H 186 8.374 8.374 7.974 0.400 19522 10766 1 16 . 1 1 187 187 GLU N N 187 118.764 118.764 118.362 0.402 19522 10767 1 16 . 1 1 187 187 GLU C C 187 176.458 176.458 176.946 -0.488 19522 10768 1 16 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.651 0.368 19522 10769 1 16 . 1 1 187 187 GLU CB C 187 28.411 28.411 31.037 -2.626 19522 10770 1 16 . 1 1 187 187 GLU H H 187 7.515 7.515 7.747 -0.232 19522 10771 1 16 . 1 1 188 188 ASN N N 188 116.561 116.561 117.875 -1.314 19522 10772 1 16 . 1 1 188 188 ASN C C 188 173.620 173.620 174.800 -1.180 19522 10773 1 16 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.413 -0.550 19522 10774 1 16 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.003 -2.282 19522 10775 1 16 . 1 1 188 188 ASN H H 188 7.092 7.092 7.840 -0.748 19522 10776 1 16 . 1 1 189 189 GLY N N 189 104.897 104.897 104.397 0.500 19522 10777 1 16 . 1 1 189 189 GLY C C 189 175.658 175.658 173.151 2.507 19522 10778 1 16 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.491 0.301 19522 10779 1 16 . 1 1 189 189 GLY H H 189 7.339 7.339 7.418 -0.079 19522 10780 1 16 . 1 1 190 190 GLY N N 190 108.292 108.292 109.853 -1.561 19522 10781 1 16 . 1 1 190 190 GLY C C 190 173.021 173.021 174.970 -1.949 19522 10782 1 16 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.027 -1.673 19522 10783 1 16 . 1 1 190 190 GLY H H 190 8.462 8.462 9.211 -0.749 19522 10784 1 16 . 1 1 191 191 TRP N N 191 118.031 118.031 121.311 -3.280 19522 10785 1 16 . 1 1 191 191 TRP C C 191 178.136 178.136 177.225 0.911 19522 10786 1 16 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.067 -0.651 19522 10787 1 16 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.996 -0.346 19522 10788 1 16 . 1 1 191 191 TRP H H 191 8.673 8.673 8.352 0.321 19522 10789 1 16 . 1 1 192 192 ASP N N 192 117.298 117.298 119.170 -1.872 19522 10790 1 16 . 1 1 192 192 ASP C C 192 179.058 179.058 177.835 1.223 19522 10791 1 16 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.400 0.459 19522 10792 1 16 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.257 0.022 19522 10793 1 16 . 1 1 192 192 ASP H H 192 8.846 8.846 7.916 0.930 19522 10794 1 16 . 1 1 193 193 THR N N 193 116.061 116.061 113.600 2.461 19522 10795 1 16 . 1 1 193 193 THR C C 193 174.979 174.979 176.282 -1.303 19522 10796 1 16 . 1 1 193 193 THR CA C 193 65.649 65.649 64.459 1.190 19522 10797 1 16 . 1 1 193 193 THR CB C 193 67.327 67.327 68.174 -0.847 19522 10798 1 16 . 1 1 193 193 THR H H 193 7.431 7.431 7.515 -0.084 19522 10799 1 16 . 1 1 194 194 PHE N N 194 121.789 121.789 122.897 -1.108 19522 10800 1 16 . 1 1 194 194 PHE C C 194 176.418 176.418 177.304 -0.886 19522 10801 1 16 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.068 -0.054 19522 10802 1 16 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.274 -2.393 19522 10803 1 16 . 1 1 194 194 PHE H H 194 6.527 6.527 7.966 -1.439 19522 10804 1 16 . 1 1 195 195 VAL N N 195 116.988 116.988 118.717 -1.729 19522 10805 1 16 . 1 1 195 195 VAL C C 195 178.078 178.078 177.913 0.165 19522 10806 1 16 . 1 1 195 195 VAL CA C 195 65.752 65.752 65.957 -0.205 19522 10807 1 16 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.602 -0.114 19522 10808 1 16 . 1 1 195 195 VAL H H 195 7.747 7.747 8.001 -0.254 19522 10809 1 16 . 1 1 196 196 GLU N N 196 120.171 120.171 119.526 0.645 19522 10810 1 16 . 1 1 196 196 GLU C C 196 177.976 177.976 177.683 0.293 19522 10811 1 16 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.401 -1.081 19522 10812 1 16 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.362 -0.689 19522 10813 1 16 . 1 1 196 196 GLU H H 196 7.497 7.497 7.767 -0.270 19522 10814 1 16 . 1 1 197 197 LEU N N 197 117.210 117.210 113.557 3.653 19522 10815 1 16 . 1 1 197 197 LEU C C 197 178.376 178.376 175.896 2.480 19522 10816 1 16 . 1 1 197 197 LEU CA C 197 55.900 55.900 54.633 1.267 19522 10817 1 16 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.308 1.087 19522 10818 1 16 . 1 1 197 197 LEU H H 197 7.626 7.626 7.206 0.420 19522 10819 1 16 . 1 1 198 198 TYR N N 198 115.681 115.681 120.035 -4.354 19522 10820 1 16 . 1 1 198 198 TYR C C 198 176.577 176.577 176.134 0.443 19522 10821 1 16 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.974 -0.597 19522 10822 1 16 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.202 -2.681 19522 10823 1 16 . 1 1 198 198 TYR H H 198 8.081 8.081 7.766 0.315 19522 10824 1 16 . 1 1 199 199 GLY N N 199 108.201 108.201 107.055 1.146 19522 10825 1 16 . 1 1 199 199 GLY C C 199 173.640 173.640 175.271 -1.631 19522 10826 1 16 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.557 -1.004 19522 10827 1 16 . 1 1 199 199 GLY H H 199 8.032 8.032 8.029 0.003 19522 10828 1 16 . 1 1 200 200 ASN N N 200 118.385 118.385 118.310 0.075 19522 10829 1 16 . 1 1 200 200 ASN C C 200 175.081 175.081 174.421 0.660 19522 10830 1 16 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.739 0.045 19522 10831 1 16 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.316 -1.875 19522 10832 1 16 . 1 1 200 200 ASN H H 200 8.300 8.300 8.324 -0.024 19522 10833 1 17 . 1 1 5 5 SER N N 5 116.171 116.171 121.189 -5.018 19522 10834 1 17 . 1 1 5 5 SER C C 5 174.320 174.320 174.714 -0.394 19522 10835 1 17 . 1 1 5 5 SER CA C 5 57.898 57.898 58.362 -0.464 19522 10836 1 17 . 1 1 5 5 SER CB C 5 62.533 62.533 63.545 -1.012 19522 10837 1 17 . 1 1 5 5 SER H H 5 8.224 8.224 8.635 -0.411 19522 10838 1 17 . 1 1 6 6 GLN N N 6 122.369 122.369 118.379 3.990 19522 10839 1 17 . 1 1 6 6 GLN C C 6 176.418 176.418 176.019 0.399 19522 10840 1 17 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.121 -0.221 19522 10841 1 17 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.445 1.365 19522 10842 1 17 . 1 1 6 6 GLN H H 6 8.337 8.337 8.530 -0.193 19522 10843 1 17 . 1 1 7 7 SER N N 7 116.584 116.584 115.417 1.167 19522 10844 1 17 . 1 1 7 7 SER C C 7 175.859 175.859 175.797 0.062 19522 10845 1 17 . 1 1 7 7 SER CA C 7 56.260 56.260 61.497 -5.237 19522 10846 1 17 . 1 1 7 7 SER CB C 7 61.916 61.916 62.791 -0.875 19522 10847 1 17 . 1 1 7 7 SER H H 7 8.221 8.221 8.964 -0.743 19522 10848 1 17 . 1 1 8 8 ASN N N 8 119.373 119.373 120.496 -1.123 19522 10849 1 17 . 1 1 8 8 ASN C C 8 177.259 177.259 177.129 0.130 19522 10850 1 17 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.822 -2.615 19522 10851 1 17 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.449 -1.785 19522 10852 1 17 . 1 1 8 8 ASN H H 8 8.375 8.375 7.842 0.533 19522 10853 1 17 . 1 1 9 9 ARG N N 9 119.039 119.039 121.478 -2.439 19522 10854 1 17 . 1 1 9 9 ARG C C 9 176.977 176.977 178.403 -1.426 19522 10855 1 17 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.061 -1.055 19522 10856 1 17 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.238 1.072 19522 10857 1 17 . 1 1 9 9 ARG H H 9 7.815 7.815 8.513 -0.698 19522 10858 1 17 . 1 1 10 10 GLU N N 10 117.158 117.158 119.710 -2.552 19522 10859 1 17 . 1 1 10 10 GLU C C 10 179.475 179.475 178.976 0.499 19522 10860 1 17 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.429 -3.932 19522 10861 1 17 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.040 -0.047 19522 10862 1 17 . 1 1 10 10 GLU H H 10 7.949 7.949 8.466 -0.517 19522 10863 1 17 . 1 1 11 11 LEU N N 11 119.880 119.880 120.112 -0.232 19522 10864 1 17 . 1 1 11 11 LEU C C 11 178.096 178.096 178.952 -0.856 19522 10865 1 17 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.769 -0.568 19522 10866 1 17 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.259 -1.341 19522 10867 1 17 . 1 1 11 11 LEU H H 11 7.807 7.807 7.464 0.343 19522 10868 1 17 . 1 1 12 12 VAL N N 12 117.702 117.702 119.594 -1.892 19522 10869 1 17 . 1 1 12 12 VAL C C 12 176.377 176.377 178.396 -2.019 19522 10870 1 17 . 1 1 12 12 VAL CA C 12 67.088 67.088 66.917 0.171 19522 10871 1 17 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.134 -0.165 19522 10872 1 17 . 1 1 12 12 VAL H H 12 7.690 7.690 7.702 -0.012 19522 10873 1 17 . 1 1 13 13 VAL N N 13 116.258 116.258 116.140 0.118 19522 10874 1 17 . 1 1 13 13 VAL C C 13 178.416 178.416 177.401 1.015 19522 10875 1 17 . 1 1 13 13 VAL CA C 13 65.912 65.912 66.020 -0.108 19522 10876 1 17 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.746 -2.153 19522 10877 1 17 . 1 1 13 13 VAL H H 13 8.225 8.225 8.043 0.182 19522 10878 1 17 . 1 1 14 14 ASP N N 14 120.362 120.362 122.050 -1.688 19522 10879 1 17 . 1 1 14 14 ASP C C 14 177.040 177.040 177.940 -0.900 19522 10880 1 17 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.725 0.253 19522 10881 1 17 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.183 1.075 19522 10882 1 17 . 1 1 14 14 ASP H H 14 7.967 7.967 8.206 -0.239 19522 10883 1 17 . 1 1 15 15 PHE N N 15 119.747 119.747 120.228 -0.481 19522 10884 1 17 . 1 1 15 15 PHE C C 15 177.876 177.876 177.214 0.662 19522 10885 1 17 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.011 1.464 19522 10886 1 17 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.166 -0.584 19522 10887 1 17 . 1 1 15 15 PHE H H 15 8.308 8.308 8.196 0.112 19522 10888 1 17 . 1 1 16 16 LEU N N 16 116.203 116.203 119.967 -3.764 19522 10889 1 17 . 1 1 16 16 LEU C C 16 175.618 175.618 178.439 -2.821 19522 10890 1 17 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.088 -0.510 19522 10891 1 17 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.777 -1.437 19522 10892 1 17 . 1 1 16 16 LEU H H 16 8.718 8.718 8.191 0.527 19522 10893 1 17 . 1 1 17 17 SER N N 17 113.607 113.607 115.353 -1.746 19522 10894 1 17 . 1 1 17 17 SER C C 17 176.980 176.980 176.450 0.530 19522 10895 1 17 . 1 1 17 17 SER CA C 17 62.150 62.150 62.284 -0.134 19522 10896 1 17 . 1 1 17 17 SER CB C 17 60.854 60.854 62.823 -1.969 19522 10897 1 17 . 1 1 17 17 SER H H 17 8.338 8.338 8.375 -0.037 19522 10898 1 17 . 1 1 18 18 TYR N N 18 124.591 124.591 121.806 2.785 19522 10899 1 17 . 1 1 18 18 TYR C C 18 177.996 177.996 176.516 1.480 19522 10900 1 17 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.620 -1.341 19522 10901 1 17 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.462 -2.117 19522 10902 1 17 . 1 1 18 18 TYR H H 18 8.228 8.228 7.833 0.395 19522 10903 1 17 . 1 1 19 19 LYS N N 19 119.761 119.761 118.309 1.452 19522 10904 1 17 . 1 1 19 19 LYS C C 19 179.841 179.841 178.377 1.464 19522 10905 1 17 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.010 -0.927 19522 10906 1 17 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.734 -4.084 19522 10907 1 17 . 1 1 19 19 LYS H H 19 8.230 8.230 7.330 0.900 19522 10908 1 17 . 1 1 20 20 LEU N N 20 118.077 118.077 120.361 -2.284 19522 10909 1 17 . 1 1 20 20 LEU C C 20 179.654 179.654 177.689 1.965 19522 10910 1 17 . 1 1 20 20 LEU CA C 20 57.978 57.978 57.160 0.818 19522 10911 1 17 . 1 1 20 20 LEU CB C 20 39.438 39.438 42.029 -2.591 19522 10912 1 17 . 1 1 20 20 LEU H H 20 8.534 8.534 8.173 0.361 19522 10913 1 17 . 1 1 21 21 SER N N 21 117.073 117.073 111.809 5.264 19522 10914 1 17 . 1 1 21 21 SER C C 21 178.204 178.204 174.273 3.931 19522 10915 1 17 . 1 1 21 21 SER CA C 21 60.375 60.375 58.686 1.689 19522 10916 1 17 . 1 1 21 21 SER CB C 21 61.836 61.836 62.253 -0.417 19522 10917 1 17 . 1 1 21 21 SER H H 21 8.239 8.239 7.500 0.739 19522 10918 1 17 . 1 1 22 22 GLN N N 22 122.767 122.767 121.326 1.441 19522 10919 1 17 . 1 1 22 22 GLN C C 22 176.997 176.997 175.421 1.576 19522 10920 1 17 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.307 0.271 19522 10921 1 17 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.554 -2.422 19522 10922 1 17 . 1 1 22 22 GLN H H 22 7.632 7.632 7.557 0.075 19522 10923 1 17 . 1 1 23 23 LYS N N 23 116.016 116.016 116.586 -0.570 19522 10924 1 17 . 1 1 23 23 LYS C C 23 175.419 175.419 174.759 0.660 19522 10925 1 17 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.260 -3.317 19522 10926 1 17 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.966 -2.918 19522 10927 1 17 . 1 1 23 23 LYS H H 23 7.167 7.167 8.263 -1.096 19522 10928 1 17 . 1 1 24 24 GLY N N 24 105.329 105.329 109.401 -4.072 19522 10929 1 17 . 1 1 24 24 GLY C C 24 173.680 173.680 172.482 1.198 19522 10930 1 17 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.038 -0.725 19522 10931 1 17 . 1 1 24 24 GLY H H 24 7.504 7.504 8.098 -0.594 19522 10932 1 17 . 1 1 25 25 TYR N N 25 119.528 119.528 116.387 3.141 19522 10933 1 17 . 1 1 25 25 TYR C C 25 174.779 174.779 174.473 0.306 19522 10934 1 17 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.821 1.940 19522 10935 1 17 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.581 0.720 19522 10936 1 17 . 1 1 25 25 TYR H H 25 7.817 7.817 7.133 0.684 19522 10937 1 17 . 1 1 26 26 SER N N 26 115.815 115.815 121.828 -6.013 19522 10938 1 17 . 1 1 26 26 SER C C 26 173.860 173.860 176.270 -2.410 19522 10939 1 17 . 1 1 26 26 SER CA C 26 56.083 56.083 57.505 -1.422 19522 10940 1 17 . 1 1 26 26 SER CB C 26 63.275 63.275 63.656 -0.381 19522 10941 1 17 . 1 1 26 26 SER H H 26 8.475 8.475 8.128 0.347 19522 10942 1 17 . 1 1 27 27 TRP N N 27 126.476 126.476 122.092 4.384 19522 10943 1 17 . 1 1 27 27 TRP C C 27 174.141 174.141 177.458 -3.317 19522 10944 1 17 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.855 -0.455 19522 10945 1 17 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.059 0.151 19522 10946 1 17 . 1 1 27 27 TRP H H 27 8.720 8.720 7.730 0.990 19522 10947 1 17 . 1 1 28 28 SER N N 28 114.011 114.011 114.696 -0.685 19522 10948 1 17 . 1 1 28 28 SER C C 28 172.859 172.859 175.654 -2.795 19522 10949 1 17 . 1 1 28 28 SER CA C 28 66.186 66.186 60.454 5.732 19522 10950 1 17 . 1 1 28 28 SER CB C 28 61.996 61.996 62.360 -0.364 19522 10951 1 17 . 1 1 28 28 SER H H 28 8.034 8.034 7.897 0.137 19522 10952 1 17 . 1 1 29 29 GLN N N 29 120.138 120.138 119.838 0.300 19522 10953 1 17 . 1 1 29 29 GLN C C 29 177.250 177.250 176.484 0.766 19522 10954 1 17 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.804 -2.634 19522 10955 1 17 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.032 -0.693 19522 10956 1 17 . 1 1 29 29 GLN H H 29 7.323 7.323 7.631 -0.308 19522 10957 1 17 . 1 1 30 30 PHE N N 30 113.775 113.775 118.383 -4.608 19522 10958 1 17 . 1 1 30 30 PHE C C 30 176.814 176.814 176.483 0.331 19522 10959 1 17 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.505 -3.342 19522 10960 1 17 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.195 -2.355 19522 10961 1 17 . 1 1 30 30 PHE H H 30 6.778 6.778 7.738 -0.960 19522 10962 1 17 . 1 1 87 87 ALA N N 87 124.732 124.732 125.001 -0.269 19522 10963 1 17 . 1 1 87 87 ALA C C 87 175.941 175.941 177.012 -1.071 19522 10964 1 17 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.222 -2.372 19522 10965 1 17 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.314 -1.748 19522 10966 1 17 . 1 1 87 87 ALA H H 87 8.079 8.079 8.745 -0.666 19522 10967 1 17 . 1 1 88 88 ALA N N 88 121.664 121.664 119.880 1.784 19522 10968 1 17 . 1 1 88 88 ALA C C 88 177.523 177.523 177.993 -0.470 19522 10969 1 17 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.476 3.675 19522 10970 1 17 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.278 0.185 19522 10971 1 17 . 1 1 88 88 ALA H H 88 7.951 7.951 7.547 0.404 19522 10972 1 17 . 1 1 89 89 VAL N N 89 119.415 119.415 119.141 0.274 19522 10973 1 17 . 1 1 89 89 VAL C C 89 176.857 176.857 176.706 0.151 19522 10974 1 17 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.313 -4.477 19522 10975 1 17 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.432 -0.361 19522 10976 1 17 . 1 1 89 89 VAL H H 89 8.161 8.161 8.259 -0.098 19522 10977 1 17 . 1 1 90 90 LYS N N 90 121.221 121.221 118.950 2.271 19522 10978 1 17 . 1 1 90 90 LYS C C 90 175.559 175.559 178.488 -2.929 19522 10979 1 17 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.265 -3.182 19522 10980 1 17 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.641 -2.728 19522 10981 1 17 . 1 1 90 90 LYS H H 90 8.529 8.529 8.349 0.180 19522 10982 1 17 . 1 1 91 91 GLN N N 91 115.879 115.879 119.052 -3.173 19522 10983 1 17 . 1 1 91 91 GLN C C 91 176.950 176.950 178.078 -1.128 19522 10984 1 17 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.497 -0.576 19522 10985 1 17 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.014 -0.779 19522 10986 1 17 . 1 1 91 91 GLN H H 91 7.973 7.973 7.837 0.136 19522 10987 1 17 . 1 1 92 92 ALA N N 92 119.538 119.538 123.056 -3.518 19522 10988 1 17 . 1 1 92 92 ALA C C 92 179.537 179.537 179.883 -0.346 19522 10989 1 17 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.318 -1.073 19522 10990 1 17 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.318 -1.551 19522 10991 1 17 . 1 1 92 92 ALA H H 92 7.661 7.661 8.512 -0.851 19522 10992 1 17 . 1 1 93 93 LEU N N 93 120.236 120.236 118.670 1.566 19522 10993 1 17 . 1 1 93 93 LEU C C 93 179.075 179.075 179.185 -0.110 19522 10994 1 17 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.340 0.447 19522 10995 1 17 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.529 0.028 19522 10996 1 17 . 1 1 93 93 LEU H H 93 8.544 8.544 8.296 0.248 19522 10997 1 17 . 1 1 94 94 ARG N N 94 118.361 118.361 120.451 -2.090 19522 10998 1 17 . 1 1 94 94 ARG C C 94 178.396 178.396 178.452 -0.056 19522 10999 1 17 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.661 0.075 19522 11000 1 17 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.675 -1.584 19522 11001 1 17 . 1 1 94 94 ARG H H 94 8.057 8.057 7.842 0.215 19522 11002 1 17 . 1 1 95 95 GLU N N 95 115.851 115.851 119.365 -3.514 19522 11003 1 17 . 1 1 95 95 GLU C C 95 179.794 179.794 179.178 0.616 19522 11004 1 17 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.752 -1.535 19522 11005 1 17 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.347 -1.256 19522 11006 1 17 . 1 1 95 95 GLU H H 95 7.737 7.737 8.126 -0.389 19522 11007 1 17 . 1 1 96 96 ALA N N 96 122.958 122.958 121.058 1.900 19522 11008 1 17 . 1 1 96 96 ALA C C 96 181.313 181.313 180.022 1.291 19522 11009 1 17 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.021 -0.719 19522 11010 1 17 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.319 -0.616 19522 11011 1 17 . 1 1 96 96 ALA H H 96 8.824 8.824 7.969 0.855 19522 11012 1 17 . 1 1 97 97 GLY N N 97 108.363 108.363 107.553 0.810 19522 11013 1 17 . 1 1 97 97 GLY C C 97 178.177 178.177 176.360 1.817 19522 11014 1 17 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.485 -1.494 19522 11015 1 17 . 1 1 97 97 GLY H H 97 9.088 9.088 8.393 0.695 19522 11016 1 17 . 1 1 98 98 ASP N N 98 122.197 122.197 122.480 -0.283 19522 11017 1 17 . 1 1 98 98 ASP C C 98 178.715 178.715 178.973 -0.258 19522 11018 1 17 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.787 -0.768 19522 11019 1 17 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.748 -2.269 19522 11020 1 17 . 1 1 98 98 ASP H H 98 8.102 8.102 8.643 -0.541 19522 11021 1 17 . 1 1 99 99 GLU N N 99 120.103 120.103 119.368 0.735 19522 11022 1 17 . 1 1 99 99 GLU C C 99 179.513 179.513 179.153 0.360 19522 11023 1 17 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.234 -5.482 19522 11024 1 17 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.741 -1.250 19522 11025 1 17 . 1 1 99 99 GLU H H 99 8.115 8.115 8.001 0.114 19522 11026 1 17 . 1 1 100 100 PHE N N 100 120.218 120.218 118.251 1.967 19522 11027 1 17 . 1 1 100 100 PHE C C 100 178.618 178.618 177.718 0.900 19522 11028 1 17 . 1 1 100 100 PHE CA C 100 57.460 57.460 60.545 -3.085 19522 11029 1 17 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.718 0.619 19522 11030 1 17 . 1 1 100 100 PHE H H 100 8.535 8.535 8.129 0.406 19522 11031 1 17 . 1 1 101 101 GLU N N 101 117.531 117.531 121.455 -3.924 19522 11032 1 17 . 1 1 101 101 GLU C C 101 177.339 177.339 179.090 -1.751 19522 11033 1 17 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.296 -2.695 19522 11034 1 17 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.847 -1.254 19522 11035 1 17 . 1 1 101 101 GLU H H 101 8.032 8.032 8.611 -0.579 19522 11036 1 17 . 1 1 102 102 LEU N N 102 116.641 116.641 116.006 0.635 19522 11037 1 17 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.956 -1.368 19522 11038 1 17 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.541 -0.768 19522 11039 1 17 . 1 1 102 102 LEU H H 102 7.369 7.369 7.856 -0.487 19522 11040 1 17 . 1 1 103 103 ARG N N 103 115.854 115.854 118.615 -2.761 19522 11041 1 17 . 1 1 103 103 ARG C C 103 177.605 177.605 178.170 -0.565 19522 11042 1 17 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.372 0.615 19522 11043 1 17 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.260 -0.110 19522 11044 1 17 . 1 1 103 103 ARG H H 103 7.472 7.472 7.757 -0.285 19522 11045 1 17 . 1 1 104 104 TYR N N 104 119.078 119.078 119.645 -0.567 19522 11046 1 17 . 1 1 104 104 TYR C C 104 174.962 174.962 177.516 -2.554 19522 11047 1 17 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.304 -0.463 19522 11048 1 17 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.723 -2.095 19522 11049 1 17 . 1 1 104 104 TYR H H 104 7.904 7.904 8.067 -0.163 19522 11050 1 17 . 1 1 105 105 ARG N N 105 119.378 119.378 118.414 0.964 19522 11051 1 17 . 1 1 105 105 ARG C C 105 178.395 178.395 177.054 1.341 19522 11052 1 17 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.861 1.060 19522 11053 1 17 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.234 -1.440 19522 11054 1 17 . 1 1 105 105 ARG H H 105 7.195 7.195 8.553 -1.358 19522 11055 1 17 . 1 1 106 106 ARG N N 106 118.875 118.875 119.614 -0.739 19522 11056 1 17 . 1 1 106 106 ARG C C 106 177.257 177.257 175.941 1.316 19522 11057 1 17 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.369 1.546 19522 11058 1 17 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.377 -2.823 19522 11059 1 17 . 1 1 106 106 ARG H H 106 8.452 8.452 7.852 0.600 19522 11060 1 17 . 1 1 107 107 ALA N N 107 121.864 121.864 122.473 -0.609 19522 11061 1 17 . 1 1 107 107 ALA C C 107 175.701 175.701 177.914 -2.213 19522 11062 1 17 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.233 0.410 19522 11063 1 17 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.784 0.279 19522 11064 1 17 . 1 1 107 107 ALA H H 107 7.839 7.839 7.766 0.073 19522 11065 1 17 . 1 1 108 108 PHE N N 108 121.984 121.984 121.369 0.615 19522 11066 1 17 . 1 1 108 108 PHE C C 108 174.982 174.982 174.783 0.199 19522 11067 1 17 . 1 1 108 108 PHE CA C 108 57.042 57.042 58.168 -1.126 19522 11068 1 17 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.508 2.330 19522 11069 1 17 . 1 1 108 108 PHE H H 108 8.392 8.392 8.028 0.364 19522 11070 1 17 . 1 1 109 109 SER N N 109 114.585 114.585 117.016 -2.431 19522 11071 1 17 . 1 1 109 109 SER C C 109 175.421 175.421 174.204 1.217 19522 11072 1 17 . 1 1 109 109 SER CA C 109 55.044 55.044 56.959 -1.915 19522 11073 1 17 . 1 1 109 109 SER CB C 109 63.241 63.241 65.470 -2.229 19522 11074 1 17 . 1 1 109 109 SER H H 109 7.810 7.810 7.870 -0.060 19522 11075 1 17 . 1 1 110 110 ASP N N 110 119.725 119.725 122.278 -2.553 19522 11076 1 17 . 1 1 110 110 ASP C C 110 178.196 178.196 178.223 -0.027 19522 11077 1 17 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.201 -1.221 19522 11078 1 17 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.568 -2.728 19522 11079 1 17 . 1 1 110 110 ASP H H 110 8.380 8.380 8.575 -0.195 19522 11080 1 17 . 1 1 111 111 LEU N N 111 120.827 120.827 120.014 0.813 19522 11081 1 17 . 1 1 111 111 LEU C C 111 178.804 178.804 178.508 0.296 19522 11082 1 17 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.291 -1.192 19522 11083 1 17 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.874 -1.077 19522 11084 1 17 . 1 1 111 111 LEU H H 111 7.783 7.783 8.274 -0.491 19522 11085 1 17 . 1 1 112 112 THR N N 112 109.101 109.101 110.570 -1.469 19522 11086 1 17 . 1 1 112 112 THR C C 112 177.157 177.157 176.657 0.500 19522 11087 1 17 . 1 1 112 112 THR CA C 112 64.690 64.690 65.551 -0.861 19522 11088 1 17 . 1 1 112 112 THR CB C 112 67.407 67.407 68.420 -1.013 19522 11089 1 17 . 1 1 112 112 THR H H 112 8.331 8.331 8.007 0.324 19522 11090 1 17 . 1 1 113 113 SER N N 113 115.811 115.811 117.160 -1.349 19522 11091 1 17 . 1 1 113 113 SER C C 113 175.319 175.319 176.073 -0.754 19522 11092 1 17 . 1 1 113 113 SER CA C 113 59.736 59.736 60.627 -0.891 19522 11093 1 17 . 1 1 113 113 SER CB C 113 62.213 62.213 63.279 -1.067 19522 11094 1 17 . 1 1 113 113 SER H H 113 7.645 7.645 7.812 -0.167 19522 11095 1 17 . 1 1 114 114 GLN N N 114 118.421 118.421 121.774 -3.353 19522 11096 1 17 . 1 1 114 114 GLN C C 114 175.978 175.978 177.627 -1.649 19522 11097 1 17 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.153 -1.694 19522 11098 1 17 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.701 -0.691 19522 11099 1 17 . 1 1 114 114 GLN H H 114 7.614 7.614 8.161 -0.547 19522 11100 1 17 . 1 1 115 115 LEU N N 115 118.236 118.236 118.581 -0.345 19522 11101 1 17 . 1 1 115 115 LEU C C 115 176.198 176.198 177.429 -1.231 19522 11102 1 17 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.426 -1.622 19522 11103 1 17 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.537 0.018 19522 11104 1 17 . 1 1 115 115 LEU H H 115 7.383 7.383 8.193 -0.810 19522 11105 1 17 . 1 1 116 116 HIS N N 116 119.694 119.694 116.358 3.336 19522 11106 1 17 . 1 1 116 116 HIS C C 116 174.122 174.122 174.191 -0.069 19522 11107 1 17 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.762 -0.383 19522 11108 1 17 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.217 -0.966 19522 11109 1 17 . 1 1 116 116 HIS H H 116 8.158 8.158 7.715 0.443 19522 11110 1 17 . 1 1 117 117 ILE N N 117 122.347 122.347 114.740 7.607 19522 11111 1 17 . 1 1 117 117 ILE C C 117 176.377 176.377 175.392 0.985 19522 11112 1 17 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.976 -1.259 19522 11113 1 17 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.714 1.510 19522 11114 1 17 . 1 1 117 117 ILE H H 117 8.658 8.658 8.228 0.430 19522 11115 1 17 . 1 1 118 118 THR N N 118 115.798 115.798 117.910 -2.112 19522 11116 1 17 . 1 1 118 118 THR CA C 118 57.921 57.921 59.788 -1.867 19522 11117 1 17 . 1 1 118 118 THR CB C 118 63.434 63.434 68.780 -5.346 19522 11118 1 17 . 1 1 118 118 THR H H 118 8.227 8.227 8.044 0.183 19522 11119 1 17 . 1 1 120 120 GLY N N 120 109.574 109.574 107.009 2.565 19522 11120 1 17 . 1 1 120 120 GLY C C 120 180.495 180.495 173.476 7.019 19522 11121 1 17 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.652 -1.259 19522 11122 1 17 . 1 1 120 120 GLY H H 120 8.429 8.429 8.137 0.292 19522 11123 1 17 . 1 1 121 121 THR N N 121 113.419 113.419 116.196 -2.777 19522 11124 1 17 . 1 1 121 121 THR C C 121 178.096 178.096 173.657 4.439 19522 11125 1 17 . 1 1 121 121 THR CA C 121 62.041 62.041 62.063 -0.022 19522 11126 1 17 . 1 1 121 121 THR CB C 121 63.994 63.994 66.649 -2.655 19522 11127 1 17 . 1 1 121 121 THR H H 121 7.774 7.774 8.002 -0.228 19522 11128 1 17 . 1 1 122 122 ALA N N 122 121.876 121.876 125.367 -3.491 19522 11129 1 17 . 1 1 122 122 ALA C C 122 177.397 177.397 176.762 0.635 19522 11130 1 17 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.429 -0.805 19522 11131 1 17 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.773 -2.248 19522 11132 1 17 . 1 1 122 122 ALA H H 122 7.944 7.944 8.188 -0.244 19522 11133 1 17 . 1 1 123 123 TYR N N 123 120.931 120.931 115.688 5.243 19522 11134 1 17 . 1 1 123 123 TYR C C 123 176.060 176.060 177.376 -1.316 19522 11135 1 17 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.747 1.308 19522 11136 1 17 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.401 -1.919 19522 11137 1 17 . 1 1 123 123 TYR H H 123 8.748 8.748 7.249 1.499 19522 11138 1 17 . 1 1 124 124 GLN N N 124 115.002 115.002 121.276 -6.274 19522 11139 1 17 . 1 1 124 124 GLN C C 124 178.098 178.098 178.405 -0.307 19522 11140 1 17 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.233 -0.593 19522 11141 1 17 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.550 -2.034 19522 11142 1 17 . 1 1 124 124 GLN H H 124 8.454 8.454 7.556 0.898 19522 11143 1 17 . 1 1 125 125 SER N N 125 114.135 114.135 115.871 -1.736 19522 11144 1 17 . 1 1 125 125 SER C C 125 179.557 179.557 176.213 3.344 19522 11145 1 17 . 1 1 125 125 SER CA C 125 61.357 61.357 61.480 -0.123 19522 11146 1 17 . 1 1 125 125 SER CB C 125 61.357 61.357 62.858 -1.500 19522 11147 1 17 . 1 1 125 125 SER H H 125 7.283 7.283 7.837 -0.554 19522 11148 1 17 . 1 1 126 126 PHE N N 126 113.327 113.327 123.646 -10.319 19522 11149 1 17 . 1 1 126 126 PHE C C 126 174.879 174.879 176.838 -1.959 19522 11150 1 17 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.442 0.675 19522 11151 1 17 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.321 -1.618 19522 11152 1 17 . 1 1 126 126 PHE H H 126 6.606 6.606 7.427 -0.821 19522 11153 1 17 . 1 1 127 127 GLU N N 127 119.398 119.398 119.239 0.159 19522 11154 1 17 . 1 1 127 127 GLU C C 127 176.857 176.857 178.551 -1.694 19522 11155 1 17 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.667 -1.609 19522 11156 1 17 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.368 -0.478 19522 11157 1 17 . 1 1 127 127 GLU H H 127 8.546 8.546 7.883 0.663 19522 11158 1 17 . 1 1 128 128 GLN N N 128 114.754 114.754 119.250 -4.496 19522 11159 1 17 . 1 1 128 128 GLN C C 128 178.356 178.356 178.611 -0.255 19522 11160 1 17 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.557 -0.477 19522 11161 1 17 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.419 -1.423 19522 11162 1 17 . 1 1 128 128 GLN H H 128 7.525 7.525 8.150 -0.625 19522 11163 1 17 . 1 1 129 129 VAL N N 129 118.194 118.194 119.590 -1.396 19522 11164 1 17 . 1 1 129 129 VAL C C 129 177.756 177.756 178.305 -0.549 19522 11165 1 17 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.403 -1.313 19522 11166 1 17 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.351 -1.102 19522 11167 1 17 . 1 1 129 129 VAL H H 129 7.036 7.036 7.706 -0.670 19522 11168 1 17 . 1 1 130 130 VAL N N 130 119.459 119.459 119.257 0.202 19522 11169 1 17 . 1 1 130 130 VAL C C 130 177.714 177.714 177.928 -0.214 19522 11170 1 17 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.319 -0.910 19522 11171 1 17 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.549 -1.077 19522 11172 1 17 . 1 1 130 130 VAL H H 130 7.831 7.831 8.060 -0.229 19522 11173 1 17 . 1 1 131 131 ASN N N 131 117.212 117.212 117.509 -0.297 19522 11174 1 17 . 1 1 131 131 ASN C C 131 178.775 178.775 177.388 1.387 19522 11175 1 17 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.785 -2.140 19522 11176 1 17 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.513 -2.248 19522 11177 1 17 . 1 1 131 131 ASN H H 131 8.374 8.374 8.585 -0.211 19522 11178 1 17 . 1 1 132 132 GLU N N 132 118.393 118.393 119.478 -1.085 19522 11179 1 17 . 1 1 132 132 GLU C C 132 179.097 179.097 178.890 0.207 19522 11180 1 17 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.845 -0.867 19522 11181 1 17 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.361 -1.989 19522 11182 1 17 . 1 1 132 132 GLU H H 132 7.226 7.226 7.626 -0.400 19522 11183 1 17 . 1 1 133 133 LEU N N 133 120.835 120.835 120.348 0.487 19522 11184 1 17 . 1 1 133 133 LEU C C 133 178.016 178.016 177.784 0.232 19522 11185 1 17 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.471 -0.669 19522 11186 1 17 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.995 -2.214 19522 11187 1 17 . 1 1 133 133 LEU H H 133 7.467 7.467 7.584 -0.117 19522 11188 1 17 . 1 1 134 134 PHE N N 134 112.847 112.847 118.285 -5.438 19522 11189 1 17 . 1 1 134 134 PHE C C 134 176.258 176.258 177.219 -0.961 19522 11190 1 17 . 1 1 134 134 PHE CA C 134 56.539 56.539 60.577 -4.038 19522 11191 1 17 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.779 -0.916 19522 11192 1 17 . 1 1 134 134 PHE H H 134 6.926 6.926 7.864 -0.938 19522 11193 1 17 . 1 1 135 135 ARG N N 135 123.664 123.664 117.547 6.117 19522 11194 1 17 . 1 1 135 135 ARG C C 135 176.957 176.957 176.005 0.952 19522 11195 1 17 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.656 1.281 19522 11196 1 17 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.283 -2.272 19522 11197 1 17 . 1 1 135 135 ARG H H 135 7.144 7.144 7.872 -0.728 19522 11198 1 17 . 1 1 136 136 ASP N N 136 116.448 116.448 116.142 0.306 19522 11199 1 17 . 1 1 136 136 ASP C C 136 175.339 175.339 176.673 -1.334 19522 11200 1 17 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.446 -1.103 19522 11201 1 17 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.520 -4.922 19522 11202 1 17 . 1 1 136 136 ASP H H 136 8.607 8.607 7.529 1.078 19522 11203 1 17 . 1 1 137 137 GLY N N 137 108.506 108.506 109.309 -0.803 19522 11204 1 17 . 1 1 137 137 GLY C C 137 172.324 172.324 173.633 -1.309 19522 11205 1 17 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.606 -1.811 19522 11206 1 17 . 1 1 137 137 GLY H H 137 7.468 7.468 8.271 -0.803 19522 11207 1 17 . 1 1 138 138 VAL N N 138 120.519 120.519 124.067 -3.548 19522 11208 1 17 . 1 1 138 138 VAL C C 138 174.160 174.160 174.750 -0.590 19522 11209 1 17 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.754 0.139 19522 11210 1 17 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.655 1.153 19522 11211 1 17 . 1 1 138 138 VAL H H 138 8.181 8.181 8.305 -0.124 19522 11212 1 17 . 1 1 139 139 ASN N N 139 115.573 115.573 123.450 -7.877 19522 11213 1 17 . 1 1 139 139 ASN C C 139 174.959 174.959 175.323 -0.364 19522 11214 1 17 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.608 -0.583 19522 11215 1 17 . 1 1 139 139 ASN CB C 139 38.639 38.639 39.937 -1.298 19522 11216 1 17 . 1 1 139 139 ASN H H 139 6.261 6.261 7.571 -1.310 19522 11217 1 17 . 1 1 140 140 TRP N N 140 118.231 118.231 126.096 -7.865 19522 11218 1 17 . 1 1 140 140 TRP C C 140 177.976 177.976 176.934 1.042 19522 11219 1 17 . 1 1 140 140 TRP CA C 140 60.135 60.135 58.285 1.850 19522 11220 1 17 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.673 -0.064 19522 11221 1 17 . 1 1 140 140 TRP H H 140 8.413 8.413 8.744 -0.331 19522 11222 1 17 . 1 1 141 141 GLY N N 141 106.238 106.238 106.778 -0.540 19522 11223 1 17 . 1 1 141 141 GLY C C 141 177.297 177.297 174.999 2.298 19522 11224 1 17 . 1 1 141 141 GLY CA C 141 46.471 46.471 45.623 0.848 19522 11225 1 17 . 1 1 141 141 GLY H H 141 8.494 8.494 8.900 -0.406 19522 11226 1 17 . 1 1 142 142 ARG N N 142 121.156 121.156 122.113 -0.957 19522 11227 1 17 . 1 1 142 142 ARG C C 142 177.457 177.457 177.961 -0.504 19522 11228 1 17 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.894 -0.396 19522 11229 1 17 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.528 -0.919 19522 11230 1 17 . 1 1 142 142 ARG H H 142 8.104 8.104 8.134 -0.030 19522 11231 1 17 . 1 1 143 143 ILE N N 143 120.888 120.888 119.984 0.904 19522 11232 1 17 . 1 1 143 143 ILE C C 143 177.756 177.756 176.887 0.869 19522 11233 1 17 . 1 1 143 143 ILE CA C 143 65.889 65.889 63.865 2.024 19522 11234 1 17 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.773 -2.170 19522 11235 1 17 . 1 1 143 143 ILE H H 143 7.696 7.696 7.824 -0.128 19522 11236 1 17 . 1 1 144 144 VAL N N 144 120.958 120.958 118.778 2.180 19522 11237 1 17 . 1 1 144 144 VAL C C 144 177.557 177.557 177.642 -0.085 19522 11238 1 17 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.242 0.846 19522 11239 1 17 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.198 -0.109 19522 11240 1 17 . 1 1 144 144 VAL H H 144 8.229 8.229 7.309 0.920 19522 11241 1 17 . 1 1 145 145 ALA N N 145 121.229 121.229 122.801 -1.572 19522 11242 1 17 . 1 1 145 145 ALA C C 145 177.999 177.999 178.985 -0.986 19522 11243 1 17 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.013 -0.951 19522 11244 1 17 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.227 -1.244 19522 11245 1 17 . 1 1 145 145 ALA H H 145 7.579 7.579 7.536 0.043 19522 11246 1 17 . 1 1 146 146 PHE N N 146 119.338 119.338 120.053 -0.715 19522 11247 1 17 . 1 1 146 146 PHE C C 146 179.432 179.432 177.157 2.275 19522 11248 1 17 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.931 -0.762 19522 11249 1 17 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.025 -1.162 19522 11250 1 17 . 1 1 146 146 PHE H H 146 7.985 7.985 8.101 -0.116 19522 11251 1 17 . 1 1 147 147 PHE N N 147 119.900 119.900 117.328 2.572 19522 11252 1 17 . 1 1 147 147 PHE C C 147 177.399 177.399 177.865 -0.466 19522 11253 1 17 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.107 -1.988 19522 11254 1 17 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.027 1.411 19522 11255 1 17 . 1 1 147 147 PHE H H 147 7.824 7.824 8.217 -0.393 19522 11256 1 17 . 1 1 148 148 SER N N 148 114.725 114.725 116.892 -2.167 19522 11257 1 17 . 1 1 148 148 SER C C 148 177.357 177.357 176.294 1.063 19522 11258 1 17 . 1 1 148 148 SER CA C 148 63.115 63.115 62.227 0.888 19522 11259 1 17 . 1 1 148 148 SER CB C 148 61.893 61.893 62.284 -0.391 19522 11260 1 17 . 1 1 148 148 SER H H 148 8.423 8.423 8.146 0.277 19522 11261 1 17 . 1 1 149 149 PHE N N 149 124.361 124.361 121.357 3.004 19522 11262 1 17 . 1 1 149 149 PHE C C 149 176.338 176.338 178.141 -1.803 19522 11263 1 17 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.548 -2.212 19522 11264 1 17 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.466 -1.185 19522 11265 1 17 . 1 1 149 149 PHE H H 149 9.097 9.097 8.458 0.639 19522 11266 1 17 . 1 1 150 150 GLY N N 150 105.935 105.935 106.180 -0.245 19522 11267 1 17 . 1 1 150 150 GLY C C 150 176.398 176.398 176.263 0.135 19522 11268 1 17 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.812 0.218 19522 11269 1 17 . 1 1 150 150 GLY H H 150 7.937 7.937 7.931 0.006 19522 11270 1 17 . 1 1 151 151 GLY N N 151 107.449 107.449 110.170 -2.721 19522 11271 1 17 . 1 1 151 151 GLY C C 151 174.300 174.300 175.945 -1.645 19522 11272 1 17 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.693 0.257 19522 11273 1 17 . 1 1 151 151 GLY H H 151 8.803 8.803 8.528 0.275 19522 11274 1 17 . 1 1 152 152 ALA N N 152 124.384 124.384 125.149 -0.765 19522 11275 1 17 . 1 1 152 152 ALA C C 152 177.636 177.636 179.349 -1.713 19522 11276 1 17 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.784 -0.642 19522 11277 1 17 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.435 -1.372 19522 11278 1 17 . 1 1 152 152 ALA H H 152 8.232 8.232 8.322 -0.090 19522 11279 1 17 . 1 1 153 153 LEU N N 153 118.871 118.871 120.045 -1.174 19522 11280 1 17 . 1 1 153 153 LEU C C 153 179.937 179.937 178.698 1.239 19522 11281 1 17 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.582 -0.994 19522 11282 1 17 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.709 -1.049 19522 11283 1 17 . 1 1 153 153 LEU H H 153 8.159 8.159 8.036 0.123 19522 11284 1 17 . 1 1 154 154 CYS N N 154 118.554 118.554 118.959 -0.405 19522 11285 1 17 . 1 1 154 154 CYS C C 154 177.332 177.332 176.956 0.376 19522 11286 1 17 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.884 -2.588 19522 11287 1 17 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.171 -0.934 19522 11288 1 17 . 1 1 154 154 CYS H H 154 8.049 8.049 8.577 -0.528 19522 11289 1 17 . 1 1 155 155 VAL N N 155 118.474 118.474 121.993 -3.519 19522 11290 1 17 . 1 1 155 155 VAL C C 155 175.723 175.723 178.454 -2.731 19522 11291 1 17 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.993 -0.864 19522 11292 1 17 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.800 -0.073 19522 11293 1 17 . 1 1 155 155 VAL H H 155 8.016 8.016 7.505 0.511 19522 11294 1 17 . 1 1 156 156 GLU N N 156 119.114 119.114 118.683 0.431 19522 11295 1 17 . 1 1 156 156 GLU C C 156 178.036 178.036 179.061 -1.025 19522 11296 1 17 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.262 3.016 19522 11297 1 17 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.915 -1.463 19522 11298 1 17 . 1 1 156 156 GLU H H 156 8.025 8.025 7.967 0.058 19522 11299 1 17 . 1 1 157 157 SER N N 157 113.391 113.391 116.356 -2.965 19522 11300 1 17 . 1 1 157 157 SER C C 157 175.299 175.299 176.241 -0.942 19522 11301 1 17 . 1 1 157 157 SER CA C 157 62.373 62.373 62.295 0.078 19522 11302 1 17 . 1 1 157 157 SER CB C 157 60.854 60.854 63.295 -2.441 19522 11303 1 17 . 1 1 157 157 SER H H 157 7.629 7.629 7.964 -0.335 19522 11304 1 17 . 1 1 158 158 VAL N N 158 120.493 120.493 121.264 -0.771 19522 11305 1 17 . 1 1 158 158 VAL C C 158 173.977 173.977 177.528 -3.551 19522 11306 1 17 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.470 1.259 19522 11307 1 17 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.006 -1.397 19522 11308 1 17 . 1 1 158 158 VAL H H 158 7.374 7.374 7.554 -0.180 19522 11309 1 17 . 1 1 159 159 ASP N N 159 123.215 123.215 121.859 1.356 19522 11310 1 17 . 1 1 159 159 ASP C C 159 177.696 177.696 177.619 0.077 19522 11311 1 17 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.664 -0.045 19522 11312 1 17 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.991 -1.073 19522 11313 1 17 . 1 1 159 159 ASP H H 159 8.309 8.309 8.451 -0.142 19522 11314 1 17 . 1 1 160 160 LYS N N 160 115.648 115.648 118.019 -2.371 19522 11315 1 17 . 1 1 160 160 LYS C C 160 174.839 174.839 175.551 -0.712 19522 11316 1 17 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.755 -0.654 19522 11317 1 17 . 1 1 160 160 LYS CB C 160 30.488 30.488 33.033 -2.546 19522 11318 1 17 . 1 1 160 160 LYS H H 160 7.541 7.541 7.489 0.052 19522 11319 1 17 . 1 1 161 161 GLU N N 161 113.911 113.911 117.824 -3.913 19522 11320 1 17 . 1 1 161 161 GLU C C 161 175.781 175.781 176.711 -0.930 19522 11321 1 17 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.247 -1.468 19522 11322 1 17 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.088 -3.034 19522 11323 1 17 . 1 1 161 161 GLU H H 161 7.842 7.842 8.002 -0.160 19522 11324 1 17 . 1 1 162 162 MET N N 162 118.882 118.882 116.363 2.519 19522 11325 1 17 . 1 1 162 162 MET C C 162 176.597 176.597 177.382 -0.785 19522 11326 1 17 . 1 1 162 162 MET CA C 162 52.646 52.646 57.655 -5.009 19522 11327 1 17 . 1 1 162 162 MET CB C 162 30.488 30.488 33.688 -3.200 19522 11328 1 17 . 1 1 162 162 MET H H 162 8.420 8.420 8.516 -0.096 19522 11329 1 17 . 1 1 163 163 GLN N N 163 119.366 119.366 117.401 1.965 19522 11330 1 17 . 1 1 163 163 GLN C C 163 177.397 177.397 176.888 0.509 19522 11331 1 17 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.465 0.710 19522 11332 1 17 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.115 -1.022 19522 11333 1 17 . 1 1 163 163 GLN H H 163 8.615 8.615 8.114 0.501 19522 11334 1 17 . 1 1 164 164 VAL N N 164 116.957 116.957 120.520 -3.563 19522 11335 1 17 . 1 1 164 164 VAL C C 164 175.459 175.459 177.557 -2.098 19522 11336 1 17 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.746 -2.894 19522 11337 1 17 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.371 -1.282 19522 11338 1 17 . 1 1 164 164 VAL H H 164 7.938 7.938 8.004 -0.066 19522 11339 1 17 . 1 1 165 165 LEU N N 165 117.124 117.124 119.338 -2.214 19522 11340 1 17 . 1 1 165 165 LEU C C 165 177.714 177.714 178.351 -0.637 19522 11341 1 17 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.067 -2.384 19522 11342 1 17 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.851 -2.173 19522 11343 1 17 . 1 1 165 165 LEU H H 165 7.741 7.741 7.689 0.052 19522 11344 1 17 . 1 1 166 166 VAL N N 166 119.434 119.434 118.444 0.990 19522 11345 1 17 . 1 1 166 166 VAL C C 166 176.817 176.817 178.104 -1.287 19522 11346 1 17 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.563 1.285 19522 11347 1 17 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.118 -1.748 19522 11348 1 17 . 1 1 166 166 VAL H H 166 7.342 7.342 7.921 -0.579 19522 11349 1 17 . 1 1 167 167 SER N N 167 110.775 110.775 115.657 -4.882 19522 11350 1 17 . 1 1 167 167 SER C C 167 176.737 176.737 176.638 0.099 19522 11351 1 17 . 1 1 167 167 SER CA C 167 60.215 60.215 61.962 -1.747 19522 11352 1 17 . 1 1 167 167 SER CB C 167 61.654 61.654 62.640 -0.986 19522 11353 1 17 . 1 1 167 167 SER H H 167 8.099 8.099 8.625 -0.526 19522 11354 1 17 . 1 1 168 168 ARG N N 168 122.916 122.916 120.309 2.607 19522 11355 1 17 . 1 1 168 168 ARG C C 168 175.439 175.439 177.954 -2.515 19522 11356 1 17 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.946 3.669 19522 11357 1 17 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.283 -2.272 19522 11358 1 17 . 1 1 168 168 ARG H H 168 6.596 6.596 7.615 -1.019 19522 11359 1 17 . 1 1 169 169 ILE N N 169 118.335 118.335 121.363 -3.028 19522 11360 1 17 . 1 1 169 169 ILE C C 169 177.779 177.779 177.731 0.048 19522 11361 1 17 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.754 -1.623 19522 11362 1 17 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.744 -0.783 19522 11363 1 17 . 1 1 169 169 ILE H H 169 7.928 7.928 8.114 -0.186 19522 11364 1 17 . 1 1 170 170 ALA N N 170 119.271 119.271 121.102 -1.831 19522 11365 1 17 . 1 1 170 170 ALA C C 170 179.195 179.195 179.099 0.096 19522 11366 1 17 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.531 -1.629 19522 11367 1 17 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.850 -1.026 19522 11368 1 17 . 1 1 170 170 ALA H H 170 7.672 7.672 8.272 -0.600 19522 11369 1 17 . 1 1 171 171 ALA N N 171 120.393 120.393 121.995 -1.602 19522 11370 1 17 . 1 1 171 171 ALA C C 171 180.833 180.833 179.570 1.263 19522 11371 1 17 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.618 -0.476 19522 11372 1 17 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.801 -1.297 19522 11373 1 17 . 1 1 171 171 ALA H H 171 7.258 7.258 7.495 -0.237 19522 11374 1 17 . 1 1 172 172 TRP N N 172 121.501 121.501 118.786 2.715 19522 11375 1 17 . 1 1 172 172 TRP C C 172 179.350 179.350 178.384 0.966 19522 11376 1 17 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.283 -2.264 19522 11377 1 17 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.617 -1.325 19522 11378 1 17 . 1 1 172 172 TRP H H 172 8.936 8.936 8.009 0.927 19522 11379 1 17 . 1 1 173 173 MET N N 173 117.211 117.211 119.653 -2.442 19522 11380 1 17 . 1 1 173 173 MET C C 173 176.158 176.158 178.215 -2.057 19522 11381 1 17 . 1 1 173 173 MET CA C 173 60.238 60.238 59.378 0.860 19522 11382 1 17 . 1 1 173 173 MET CB C 173 28.833 28.833 32.925 -4.092 19522 11383 1 17 . 1 1 173 173 MET H H 173 8.885 8.885 8.545 0.340 19522 11384 1 17 . 1 1 174 174 ALA N N 174 120.901 120.901 120.632 0.269 19522 11385 1 17 . 1 1 174 174 ALA C C 174 178.875 178.875 179.587 -0.712 19522 11386 1 17 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.592 -0.731 19522 11387 1 17 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.020 -1.333 19522 11388 1 17 . 1 1 174 174 ALA H H 174 8.206 8.206 8.441 -0.235 19522 11389 1 17 . 1 1 175 175 THR N N 175 116.591 116.591 117.153 -0.562 19522 11390 1 17 . 1 1 175 175 THR C C 175 174.782 174.782 176.814 -2.032 19522 11391 1 17 . 1 1 175 175 THR CA C 175 66.209 66.209 66.888 -0.679 19522 11392 1 17 . 1 1 175 175 THR CB C 175 68.046 68.046 68.667 -0.621 19522 11393 1 17 . 1 1 175 175 THR H H 175 8.530 8.530 7.897 0.633 19522 11394 1 17 . 1 1 176 176 TYR N N 176 123.375 123.375 122.950 0.425 19522 11395 1 17 . 1 1 176 176 TYR C C 176 179.255 179.255 177.150 2.105 19522 11396 1 17 . 1 1 176 176 TYR CA C 176 62.373 62.373 59.565 2.808 19522 11397 1 17 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.678 -0.816 19522 11398 1 17 . 1 1 176 176 TYR H H 176 8.822 8.822 8.312 0.510 19522 11399 1 17 . 1 1 177 177 LEU N N 177 119.511 119.511 121.898 -2.387 19522 11400 1 17 . 1 1 177 177 LEU C C 177 177.979 177.979 178.303 -0.324 19522 11401 1 17 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.345 0.112 19522 11402 1 17 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.919 -0.643 19522 11403 1 17 . 1 1 177 177 LEU H H 177 8.759 8.759 8.721 0.038 19522 11404 1 17 . 1 1 178 178 ASN N N 178 117.233 117.233 116.578 0.655 19522 11405 1 17 . 1 1 178 178 ASN C C 178 176.021 176.021 176.671 -0.650 19522 11406 1 17 . 1 1 178 178 ASN CA C 178 55.843 55.843 55.941 -0.098 19522 11407 1 17 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.441 -0.338 19522 11408 1 17 . 1 1 178 178 ASN H H 178 8.333 8.333 7.953 0.380 19522 11409 1 17 . 1 1 179 179 ASP N N 179 115.264 115.264 119.128 -3.864 19522 11410 1 17 . 1 1 179 179 ASP C C 179 177.557 177.557 176.805 0.752 19522 11411 1 17 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.959 -1.059 19522 11412 1 17 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.501 -2.222 19522 11413 1 17 . 1 1 179 179 ASP H H 179 8.451 8.451 7.831 0.620 19522 11414 1 17 . 1 1 180 180 HIS N N 180 111.728 111.728 115.607 -3.879 19522 11415 1 17 . 1 1 180 180 HIS C C 180 175.479 175.479 176.990 -1.511 19522 11416 1 17 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.540 -1.119 19522 11417 1 17 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.686 -3.077 19522 11418 1 17 . 1 1 180 180 HIS H H 180 8.073 8.073 7.656 0.417 19522 11419 1 17 . 1 1 181 181 LEU N N 181 116.833 116.833 121.931 -5.098 19522 11420 1 17 . 1 1 181 181 LEU C C 181 176.160 176.160 178.478 -2.318 19522 11421 1 17 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.887 -3.866 19522 11422 1 17 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.808 -0.052 19522 11423 1 17 . 1 1 181 181 LEU H H 181 7.183 7.183 7.561 -0.378 19522 11424 1 17 . 1 1 182 182 GLU N N 182 121.364 121.364 118.537 2.827 19522 11425 1 17 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.670 -0.656 19522 11426 1 17 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.668 -1.712 19522 11427 1 17 . 1 1 182 182 GLU H H 182 8.596 8.596 8.751 -0.155 19522 11428 1 17 . 1 1 184 184 TRP N N 184 117.804 117.804 120.075 -2.271 19522 11429 1 17 . 1 1 184 184 TRP C C 184 179.217 179.217 177.685 1.532 19522 11430 1 17 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.565 6.107 19522 11431 1 17 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.067 -0.994 19522 11432 1 17 . 1 1 184 184 TRP H H 184 7.070 7.070 7.663 -0.593 19522 11433 1 17 . 1 1 185 185 ILE N N 185 121.825 121.825 119.497 2.328 19522 11434 1 17 . 1 1 185 185 ILE C C 185 178.655 178.655 178.338 0.317 19522 11435 1 17 . 1 1 185 185 ILE CA C 185 65.272 65.272 64.914 0.358 19522 11436 1 17 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.886 -1.941 19522 11437 1 17 . 1 1 185 185 ILE H H 185 8.396 8.396 8.282 0.114 19522 11438 1 17 . 1 1 186 186 GLN N N 186 116.489 116.489 115.895 0.594 19522 11439 1 17 . 1 1 186 186 GLN C C 186 179.035 179.035 176.467 2.568 19522 11440 1 17 . 1 1 186 186 GLN CA C 186 57.818 57.818 56.905 0.913 19522 11441 1 17 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.851 -1.038 19522 11442 1 17 . 1 1 186 186 GLN H H 186 8.374 8.374 7.774 0.600 19522 11443 1 17 . 1 1 187 187 GLU N N 187 118.764 118.764 120.002 -1.238 19522 11444 1 17 . 1 1 187 187 GLU C C 187 176.458 176.458 177.454 -0.996 19522 11445 1 17 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.161 -0.142 19522 11446 1 17 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.550 -2.139 19522 11447 1 17 . 1 1 187 187 GLU H H 187 7.515 7.515 7.678 -0.163 19522 11448 1 17 . 1 1 188 188 ASN N N 188 116.561 116.561 116.103 0.458 19522 11449 1 17 . 1 1 188 188 ASN C C 188 173.620 173.620 174.622 -1.002 19522 11450 1 17 . 1 1 188 188 ASN CA C 188 52.863 52.863 52.843 0.020 19522 11451 1 17 . 1 1 188 188 ASN CB C 188 36.721 36.721 40.022 -3.301 19522 11452 1 17 . 1 1 188 188 ASN H H 188 7.092 7.092 7.696 -0.604 19522 11453 1 17 . 1 1 189 189 GLY N N 189 104.897 104.897 105.174 -0.277 19522 11454 1 17 . 1 1 189 189 GLY C C 189 175.658 175.658 173.050 2.608 19522 11455 1 17 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.347 0.445 19522 11456 1 17 . 1 1 189 189 GLY H H 189 7.339 7.339 7.171 0.168 19522 11457 1 17 . 1 1 190 190 GLY N N 190 108.292 108.292 109.749 -1.457 19522 11458 1 17 . 1 1 190 190 GLY C C 190 173.021 173.021 174.425 -1.404 19522 11459 1 17 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.169 -1.815 19522 11460 1 17 . 1 1 190 190 GLY H H 190 8.462 8.462 9.267 -0.805 19522 11461 1 17 . 1 1 191 191 TRP N N 191 118.031 118.031 121.411 -3.380 19522 11462 1 17 . 1 1 191 191 TRP C C 191 178.136 178.136 177.268 0.868 19522 11463 1 17 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.445 -1.029 19522 11464 1 17 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.871 -0.221 19522 11465 1 17 . 1 1 191 191 TRP H H 191 8.673 8.673 8.418 0.255 19522 11466 1 17 . 1 1 192 192 ASP N N 192 117.298 117.298 118.233 -0.935 19522 11467 1 17 . 1 1 192 192 ASP C C 192 179.058 179.058 177.612 1.446 19522 11468 1 17 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.215 0.644 19522 11469 1 17 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.598 -0.319 19522 11470 1 17 . 1 1 192 192 ASP H H 192 8.846 8.846 7.821 1.025 19522 11471 1 17 . 1 1 193 193 THR N N 193 116.061 116.061 115.301 0.760 19522 11472 1 17 . 1 1 193 193 THR C C 193 174.979 174.979 175.762 -0.783 19522 11473 1 17 . 1 1 193 193 THR CA C 193 65.649 65.649 64.410 1.239 19522 11474 1 17 . 1 1 193 193 THR CB C 193 67.327 67.327 68.008 -0.681 19522 11475 1 17 . 1 1 193 193 THR H H 193 7.431 7.431 7.239 0.192 19522 11476 1 17 . 1 1 194 194 PHE N N 194 121.789 121.789 122.577 -0.788 19522 11477 1 17 . 1 1 194 194 PHE C C 194 176.418 176.418 177.208 -0.790 19522 11478 1 17 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.820 0.194 19522 11479 1 17 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.225 -2.344 19522 11480 1 17 . 1 1 194 194 PHE H H 194 6.527 6.527 7.983 -1.456 19522 11481 1 17 . 1 1 195 195 VAL N N 195 116.988 116.988 118.476 -1.488 19522 11482 1 17 . 1 1 195 195 VAL C C 195 178.078 178.078 177.752 0.326 19522 11483 1 17 . 1 1 195 195 VAL CA C 195 65.752 65.752 65.641 0.111 19522 11484 1 17 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.166 0.322 19522 11485 1 17 . 1 1 195 195 VAL H H 195 7.747 7.747 8.273 -0.526 19522 11486 1 17 . 1 1 196 196 GLU N N 196 120.171 120.171 119.828 0.343 19522 11487 1 17 . 1 1 196 196 GLU C C 196 177.976 177.976 177.798 0.178 19522 11488 1 17 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.204 -0.884 19522 11489 1 17 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.204 -0.531 19522 11490 1 17 . 1 1 196 196 GLU H H 196 7.497 7.497 7.862 -0.365 19522 11491 1 17 . 1 1 197 197 LEU N N 197 117.210 117.210 113.405 3.805 19522 11492 1 17 . 1 1 197 197 LEU C C 197 178.376 178.376 176.480 1.896 19522 11493 1 17 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.118 0.782 19522 11494 1 17 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.950 0.445 19522 11495 1 17 . 1 1 197 197 LEU H H 197 7.626 7.626 7.343 0.283 19522 11496 1 17 . 1 1 198 198 TYR N N 198 115.681 115.681 120.602 -4.921 19522 11497 1 17 . 1 1 198 198 TYR C C 198 176.577 176.577 177.263 -0.686 19522 11498 1 17 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.942 -1.565 19522 11499 1 17 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.309 -2.788 19522 11500 1 17 . 1 1 198 198 TYR H H 198 8.081 8.081 7.651 0.430 19522 11501 1 17 . 1 1 199 199 GLY N N 199 108.201 108.201 107.509 0.692 19522 11502 1 17 . 1 1 199 199 GLY C C 199 173.640 173.640 175.387 -1.747 19522 11503 1 17 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.997 -1.444 19522 11504 1 17 . 1 1 199 199 GLY H H 199 8.032 8.032 7.995 0.037 19522 11505 1 17 . 1 1 200 200 ASN N N 200 118.385 118.385 118.347 0.038 19522 11506 1 17 . 1 1 200 200 ASN C C 200 175.081 175.081 173.914 1.167 19522 11507 1 17 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.660 0.124 19522 11508 1 17 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.242 -1.801 19522 11509 1 17 . 1 1 200 200 ASN H H 200 8.300 8.300 8.335 -0.035 19522 11510 1 18 . 1 1 5 5 SER N N 5 116.171 116.171 121.088 -4.917 19522 11511 1 18 . 1 1 5 5 SER C C 5 174.320 174.320 174.811 -0.491 19522 11512 1 18 . 1 1 5 5 SER CA C 5 57.898 57.898 58.630 -0.732 19522 11513 1 18 . 1 1 5 5 SER CB C 5 62.533 62.533 63.868 -1.335 19522 11514 1 18 . 1 1 5 5 SER H H 5 8.224 8.224 8.729 -0.505 19522 11515 1 18 . 1 1 6 6 GLN N N 6 122.369 122.369 118.802 3.567 19522 11516 1 18 . 1 1 6 6 GLN C C 6 176.418 176.418 176.206 0.212 19522 11517 1 18 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.147 -0.247 19522 11518 1 18 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.264 1.546 19522 11519 1 18 . 1 1 6 6 GLN H H 6 8.337 8.337 8.616 -0.279 19522 11520 1 18 . 1 1 7 7 SER N N 7 116.584 116.584 115.912 0.672 19522 11521 1 18 . 1 1 7 7 SER C C 7 175.859 175.859 175.930 -0.071 19522 11522 1 18 . 1 1 7 7 SER CA C 7 56.260 56.260 61.075 -4.815 19522 11523 1 18 . 1 1 7 7 SER CB C 7 61.916 61.916 62.912 -0.996 19522 11524 1 18 . 1 1 7 7 SER H H 7 8.221 8.221 8.992 -0.771 19522 11525 1 18 . 1 1 8 8 ASN N N 8 119.373 119.373 120.468 -1.095 19522 11526 1 18 . 1 1 8 8 ASN C C 8 177.259 177.259 177.154 0.105 19522 11527 1 18 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.905 -2.698 19522 11528 1 18 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.351 -1.687 19522 11529 1 18 . 1 1 8 8 ASN H H 8 8.375 8.375 7.888 0.487 19522 11530 1 18 . 1 1 9 9 ARG N N 9 119.039 119.039 121.468 -2.429 19522 11531 1 18 . 1 1 9 9 ARG C C 9 176.977 176.977 178.503 -1.526 19522 11532 1 18 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.353 -1.347 19522 11533 1 18 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.180 1.130 19522 11534 1 18 . 1 1 9 9 ARG H H 9 7.815 7.815 8.513 -0.698 19522 11535 1 18 . 1 1 10 10 GLU N N 10 117.158 117.158 119.588 -2.430 19522 11536 1 18 . 1 1 10 10 GLU C C 10 179.475 179.475 179.225 0.250 19522 11537 1 18 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.335 -3.838 19522 11538 1 18 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.138 -0.145 19522 11539 1 18 . 1 1 10 10 GLU H H 10 7.949 7.949 8.385 -0.436 19522 11540 1 18 . 1 1 11 11 LEU N N 11 119.880 119.880 120.385 -0.505 19522 11541 1 18 . 1 1 11 11 LEU C C 11 178.096 178.096 178.991 -0.895 19522 11542 1 18 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.791 -0.590 19522 11543 1 18 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.352 -1.435 19522 11544 1 18 . 1 1 11 11 LEU H H 11 7.807 7.807 7.556 0.251 19522 11545 1 18 . 1 1 12 12 VAL N N 12 117.702 117.702 119.849 -2.147 19522 11546 1 18 . 1 1 12 12 VAL C C 12 176.377 176.377 178.569 -2.192 19522 11547 1 18 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.234 -0.146 19522 11548 1 18 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.262 -0.294 19522 11549 1 18 . 1 1 12 12 VAL H H 12 7.690 7.690 8.239 -0.549 19522 11550 1 18 . 1 1 13 13 VAL N N 13 116.258 116.258 115.211 1.047 19522 11551 1 18 . 1 1 13 13 VAL C C 13 178.416 178.416 177.217 1.199 19522 11552 1 18 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.783 0.129 19522 11553 1 18 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.674 -2.081 19522 11554 1 18 . 1 1 13 13 VAL H H 13 8.225 8.225 7.890 0.335 19522 11555 1 18 . 1 1 14 14 ASP N N 14 120.362 120.362 122.784 -2.422 19522 11556 1 18 . 1 1 14 14 ASP C C 14 177.040 177.040 177.819 -0.779 19522 11557 1 18 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.920 0.058 19522 11558 1 18 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.062 1.196 19522 11559 1 18 . 1 1 14 14 ASP H H 14 7.967 7.967 8.018 -0.051 19522 11560 1 18 . 1 1 15 15 PHE N N 15 119.747 119.747 120.811 -1.064 19522 11561 1 18 . 1 1 15 15 PHE C C 15 177.876 177.876 177.519 0.357 19522 11562 1 18 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.089 1.386 19522 11563 1 18 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.087 -0.505 19522 11564 1 18 . 1 1 15 15 PHE H H 15 8.308 8.308 8.354 -0.046 19522 11565 1 18 . 1 1 16 16 LEU N N 16 116.203 116.203 119.977 -3.774 19522 11566 1 18 . 1 1 16 16 LEU C C 16 175.618 175.618 178.438 -2.820 19522 11567 1 18 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.211 -0.633 19522 11568 1 18 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.763 -1.423 19522 11569 1 18 . 1 1 16 16 LEU H H 16 8.718 8.718 7.848 0.870 19522 11570 1 18 . 1 1 17 17 SER N N 17 113.607 113.607 115.347 -1.740 19522 11571 1 18 . 1 1 17 17 SER C C 17 176.980 176.980 176.445 0.535 19522 11572 1 18 . 1 1 17 17 SER CA C 17 62.150 62.150 62.153 -0.003 19522 11573 1 18 . 1 1 17 17 SER CB C 17 60.854 60.854 62.768 -1.914 19522 11574 1 18 . 1 1 17 17 SER H H 17 8.338 8.338 8.325 0.013 19522 11575 1 18 . 1 1 18 18 TYR N N 18 124.591 124.591 122.784 1.807 19522 11576 1 18 . 1 1 18 18 TYR C C 18 177.996 177.996 176.834 1.162 19522 11577 1 18 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.888 -1.609 19522 11578 1 18 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.438 -2.093 19522 11579 1 18 . 1 1 18 18 TYR H H 18 8.228 8.228 8.046 0.182 19522 11580 1 18 . 1 1 19 19 LYS N N 19 119.761 119.761 118.206 1.555 19522 11581 1 18 . 1 1 19 19 LYS C C 19 179.841 179.841 178.400 1.441 19522 11582 1 18 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.211 -1.128 19522 11583 1 18 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.481 -3.831 19522 11584 1 18 . 1 1 19 19 LYS H H 19 8.230 8.230 7.323 0.907 19522 11585 1 18 . 1 1 20 20 LEU N N 20 118.077 118.077 120.205 -2.128 19522 11586 1 18 . 1 1 20 20 LEU C C 20 179.654 179.654 177.365 2.289 19522 11587 1 18 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.887 1.091 19522 11588 1 18 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.764 -2.326 19522 11589 1 18 . 1 1 20 20 LEU H H 20 8.534 8.534 8.158 0.376 19522 11590 1 18 . 1 1 21 21 SER N N 21 117.073 117.073 111.998 5.075 19522 11591 1 18 . 1 1 21 21 SER C C 21 178.204 178.204 174.384 3.820 19522 11592 1 18 . 1 1 21 21 SER CA C 21 60.375 60.375 58.662 1.713 19522 11593 1 18 . 1 1 21 21 SER CB C 21 61.836 61.836 62.469 -0.633 19522 11594 1 18 . 1 1 21 21 SER H H 21 8.239 8.239 7.455 0.784 19522 11595 1 18 . 1 1 22 22 GLN N N 22 122.767 122.767 121.362 1.405 19522 11596 1 18 . 1 1 22 22 GLN C C 22 176.997 176.997 175.546 1.451 19522 11597 1 18 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.414 0.164 19522 11598 1 18 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.407 -2.275 19522 11599 1 18 . 1 1 22 22 GLN H H 22 7.632 7.632 7.473 0.159 19522 11600 1 18 . 1 1 23 23 LYS N N 23 116.016 116.016 116.215 -0.199 19522 11601 1 18 . 1 1 23 23 LYS C C 23 175.419 175.419 175.091 0.328 19522 11602 1 18 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.002 -3.059 19522 11603 1 18 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.431 -3.383 19522 11604 1 18 . 1 1 23 23 LYS H H 23 7.167 7.167 8.163 -0.996 19522 11605 1 18 . 1 1 24 24 GLY N N 24 105.329 105.329 108.185 -2.856 19522 11606 1 18 . 1 1 24 24 GLY C C 24 173.680 173.680 172.682 0.998 19522 11607 1 18 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.380 -1.067 19522 11608 1 18 . 1 1 24 24 GLY H H 24 7.504 7.504 8.287 -0.783 19522 11609 1 18 . 1 1 25 25 TYR N N 25 119.528 119.528 117.129 2.399 19522 11610 1 18 . 1 1 25 25 TYR C C 25 174.779 174.779 174.382 0.397 19522 11611 1 18 . 1 1 25 25 TYR CA C 25 57.761 57.761 56.010 1.751 19522 11612 1 18 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.437 0.864 19522 11613 1 18 . 1 1 25 25 TYR H H 25 7.817 7.817 7.462 0.355 19522 11614 1 18 . 1 1 26 26 SER N N 26 115.815 115.815 121.586 -5.771 19522 11615 1 18 . 1 1 26 26 SER C C 26 173.860 173.860 175.493 -1.633 19522 11616 1 18 . 1 1 26 26 SER CA C 26 56.083 56.083 57.499 -1.416 19522 11617 1 18 . 1 1 26 26 SER CB C 26 63.275 63.275 63.848 -0.573 19522 11618 1 18 . 1 1 26 26 SER H H 26 8.475 8.475 7.886 0.589 19522 11619 1 18 . 1 1 27 27 TRP N N 27 126.476 126.476 121.383 5.093 19522 11620 1 18 . 1 1 27 27 TRP C C 27 174.141 174.141 177.450 -3.309 19522 11621 1 18 . 1 1 27 27 TRP CA C 27 58.400 58.400 57.925 0.475 19522 11622 1 18 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.272 -0.062 19522 11623 1 18 . 1 1 27 27 TRP H H 27 8.720 8.720 7.816 0.904 19522 11624 1 18 . 1 1 28 28 SER N N 28 114.011 114.011 115.366 -1.355 19522 11625 1 18 . 1 1 28 28 SER C C 28 172.859 172.859 175.504 -2.645 19522 11626 1 18 . 1 1 28 28 SER CA C 28 66.186 66.186 60.632 5.554 19522 11627 1 18 . 1 1 28 28 SER CB C 28 61.996 61.996 62.398 -0.402 19522 11628 1 18 . 1 1 28 28 SER H H 28 8.034 8.034 7.787 0.247 19522 11629 1 18 . 1 1 29 29 GLN N N 29 120.138 120.138 119.479 0.659 19522 11630 1 18 . 1 1 29 29 GLN C C 29 177.250 177.250 177.044 0.206 19522 11631 1 18 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.482 -2.312 19522 11632 1 18 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.390 -1.050 19522 11633 1 18 . 1 1 29 29 GLN H H 29 7.323 7.323 7.393 -0.070 19522 11634 1 18 . 1 1 30 30 PHE N N 30 113.775 113.775 118.360 -4.585 19522 11635 1 18 . 1 1 30 30 PHE C C 30 176.814 176.814 175.912 0.902 19522 11636 1 18 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.045 -2.882 19522 11637 1 18 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.225 -1.385 19522 11638 1 18 . 1 1 30 30 PHE H H 30 6.778 6.778 7.679 -0.901 19522 11639 1 18 . 1 1 87 87 ALA N N 87 124.732 124.732 123.331 1.401 19522 11640 1 18 . 1 1 87 87 ALA C C 87 175.941 175.941 177.132 -1.191 19522 11641 1 18 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.165 -2.315 19522 11642 1 18 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.336 -1.770 19522 11643 1 18 . 1 1 87 87 ALA H H 87 8.079 8.079 8.632 -0.553 19522 11644 1 18 . 1 1 88 88 ALA N N 88 121.664 121.664 120.968 0.696 19522 11645 1 18 . 1 1 88 88 ALA C C 88 177.523 177.523 177.948 -0.425 19522 11646 1 18 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.329 3.822 19522 11647 1 18 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.247 0.216 19522 11648 1 18 . 1 1 88 88 ALA H H 88 7.951 7.951 7.643 0.308 19522 11649 1 18 . 1 1 89 89 VAL N N 89 119.415 119.415 118.989 0.426 19522 11650 1 18 . 1 1 89 89 VAL C C 89 176.857 176.857 176.560 0.297 19522 11651 1 18 . 1 1 89 89 VAL CA C 89 61.836 61.836 65.933 -4.098 19522 11652 1 18 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.483 -0.412 19522 11653 1 18 . 1 1 89 89 VAL H H 89 8.161 8.161 8.245 -0.084 19522 11654 1 18 . 1 1 90 90 LYS N N 90 121.221 121.221 119.520 1.701 19522 11655 1 18 . 1 1 90 90 LYS C C 90 175.559 175.559 178.289 -2.730 19522 11656 1 18 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.441 -3.358 19522 11657 1 18 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.701 -2.788 19522 11658 1 18 . 1 1 90 90 LYS H H 90 8.529 8.529 8.311 0.218 19522 11659 1 18 . 1 1 91 91 GLN N N 91 115.879 115.879 118.990 -3.111 19522 11660 1 18 . 1 1 91 91 GLN C C 91 176.950 176.950 178.039 -1.089 19522 11661 1 18 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.340 -0.419 19522 11662 1 18 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.843 -0.608 19522 11663 1 18 . 1 1 91 91 GLN H H 91 7.973 7.973 7.778 0.195 19522 11664 1 18 . 1 1 92 92 ALA N N 92 119.538 119.538 123.244 -3.706 19522 11665 1 18 . 1 1 92 92 ALA C C 92 179.537 179.537 179.799 -0.262 19522 11666 1 18 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.306 -1.061 19522 11667 1 18 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.274 -1.507 19522 11668 1 18 . 1 1 92 92 ALA H H 92 7.661 7.661 8.244 -0.583 19522 11669 1 18 . 1 1 93 93 LEU N N 93 120.236 120.236 118.311 1.925 19522 11670 1 18 . 1 1 93 93 LEU C C 93 179.075 179.075 179.208 -0.133 19522 11671 1 18 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.185 0.601 19522 11672 1 18 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.443 0.114 19522 11673 1 18 . 1 1 93 93 LEU H H 93 8.544 8.544 8.193 0.351 19522 11674 1 18 . 1 1 94 94 ARG N N 94 118.361 118.361 120.341 -1.980 19522 11675 1 18 . 1 1 94 94 ARG C C 94 178.396 178.396 178.491 -0.095 19522 11676 1 18 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.478 0.258 19522 11677 1 18 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.625 -1.534 19522 11678 1 18 . 1 1 94 94 ARG H H 94 8.057 8.057 7.706 0.351 19522 11679 1 18 . 1 1 95 95 GLU N N 95 115.851 115.851 119.387 -3.536 19522 11680 1 18 . 1 1 95 95 GLU C C 95 179.794 179.794 179.127 0.667 19522 11681 1 18 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.596 -1.379 19522 11682 1 18 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.279 -1.188 19522 11683 1 18 . 1 1 95 95 GLU H H 95 7.737 7.737 8.156 -0.419 19522 11684 1 18 . 1 1 96 96 ALA N N 96 122.958 122.958 120.861 2.097 19522 11685 1 18 . 1 1 96 96 ALA C C 96 181.313 181.313 180.022 1.291 19522 11686 1 18 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.926 -0.624 19522 11687 1 18 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.275 -0.572 19522 11688 1 18 . 1 1 96 96 ALA H H 96 8.824 8.824 7.758 1.066 19522 11689 1 18 . 1 1 97 97 GLY N N 97 108.363 108.363 107.189 1.174 19522 11690 1 18 . 1 1 97 97 GLY C C 97 178.177 178.177 176.402 1.775 19522 11691 1 18 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.444 -1.452 19522 11692 1 18 . 1 1 97 97 GLY H H 97 9.088 9.088 8.164 0.924 19522 11693 1 18 . 1 1 98 98 ASP N N 98 122.197 122.197 122.154 0.043 19522 11694 1 18 . 1 1 98 98 ASP C C 98 178.715 178.715 178.911 -0.196 19522 11695 1 18 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.333 -0.314 19522 11696 1 18 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.931 -2.452 19522 11697 1 18 . 1 1 98 98 ASP H H 98 8.102 8.102 8.391 -0.289 19522 11698 1 18 . 1 1 99 99 GLU N N 99 120.103 120.103 119.336 0.767 19522 11699 1 18 . 1 1 99 99 GLU C C 99 179.513 179.513 178.732 0.781 19522 11700 1 18 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.056 -5.304 19522 11701 1 18 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.730 -1.239 19522 11702 1 18 . 1 1 99 99 GLU H H 99 8.115 8.115 8.067 0.048 19522 11703 1 18 . 1 1 100 100 PHE N N 100 120.218 120.218 117.928 2.290 19522 11704 1 18 . 1 1 100 100 PHE C C 100 178.618 178.618 177.494 1.124 19522 11705 1 18 . 1 1 100 100 PHE CA C 100 57.460 57.460 60.014 -2.554 19522 11706 1 18 . 1 1 100 100 PHE CB C 100 40.336 40.336 40.106 0.230 19522 11707 1 18 . 1 1 100 100 PHE H H 100 8.535 8.535 8.014 0.521 19522 11708 1 18 . 1 1 101 101 GLU N N 101 117.531 117.531 121.636 -4.105 19522 11709 1 18 . 1 1 101 101 GLU C C 101 177.339 177.339 179.065 -1.726 19522 11710 1 18 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.227 -2.626 19522 11711 1 18 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.848 -1.255 19522 11712 1 18 . 1 1 101 101 GLU H H 101 8.032 8.032 8.507 -0.475 19522 11713 1 18 . 1 1 102 102 LEU N N 102 116.641 116.641 116.419 0.222 19522 11714 1 18 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.989 -1.401 19522 11715 1 18 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.544 -0.771 19522 11716 1 18 . 1 1 102 102 LEU H H 102 7.369 7.369 7.819 -0.450 19522 11717 1 18 . 1 1 103 103 ARG N N 103 115.854 115.854 118.754 -2.900 19522 11718 1 18 . 1 1 103 103 ARG C C 103 177.605 177.605 178.127 -0.522 19522 11719 1 18 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.346 0.641 19522 11720 1 18 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.269 -0.119 19522 11721 1 18 . 1 1 103 103 ARG H H 103 7.472 7.472 7.758 -0.286 19522 11722 1 18 . 1 1 104 104 TYR N N 104 119.078 119.078 119.936 -0.858 19522 11723 1 18 . 1 1 104 104 TYR C C 104 174.962 174.962 177.638 -2.676 19522 11724 1 18 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.572 -0.731 19522 11725 1 18 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.594 -1.966 19522 11726 1 18 . 1 1 104 104 TYR H H 104 7.904 7.904 8.014 -0.110 19522 11727 1 18 . 1 1 105 105 ARG N N 105 119.378 119.378 118.241 1.137 19522 11728 1 18 . 1 1 105 105 ARG C C 105 178.395 178.395 176.809 1.586 19522 11729 1 18 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.935 0.986 19522 11730 1 18 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.130 -1.336 19522 11731 1 18 . 1 1 105 105 ARG H H 105 7.195 7.195 8.562 -1.367 19522 11732 1 18 . 1 1 106 106 ARG N N 106 118.875 118.875 119.558 -0.683 19522 11733 1 18 . 1 1 106 106 ARG C C 106 177.257 177.257 175.979 1.278 19522 11734 1 18 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.348 1.567 19522 11735 1 18 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.388 -2.834 19522 11736 1 18 . 1 1 106 106 ARG H H 106 8.452 8.452 7.688 0.764 19522 11737 1 18 . 1 1 107 107 ALA N N 107 121.864 121.864 122.558 -0.694 19522 11738 1 18 . 1 1 107 107 ALA C C 107 175.701 175.701 177.911 -2.210 19522 11739 1 18 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.209 0.435 19522 11740 1 18 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.755 0.308 19522 11741 1 18 . 1 1 107 107 ALA H H 107 7.839 7.839 7.674 0.165 19522 11742 1 18 . 1 1 108 108 PHE N N 108 121.984 121.984 121.620 0.364 19522 11743 1 18 . 1 1 108 108 PHE C C 108 174.982 174.982 174.736 0.246 19522 11744 1 18 . 1 1 108 108 PHE CA C 108 57.042 57.042 58.416 -1.374 19522 11745 1 18 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.281 2.557 19522 11746 1 18 . 1 1 108 108 PHE H H 108 8.392 8.392 8.027 0.365 19522 11747 1 18 . 1 1 109 109 SER N N 109 114.585 114.585 117.007 -2.422 19522 11748 1 18 . 1 1 109 109 SER C C 109 175.421 175.421 174.561 0.860 19522 11749 1 18 . 1 1 109 109 SER CA C 109 55.044 55.044 56.778 -1.734 19522 11750 1 18 . 1 1 109 109 SER CB C 109 63.241 63.241 65.374 -2.133 19522 11751 1 18 . 1 1 109 109 SER H H 109 7.810 7.810 7.900 -0.090 19522 11752 1 18 . 1 1 110 110 ASP N N 110 119.725 119.725 123.096 -3.371 19522 11753 1 18 . 1 1 110 110 ASP C C 110 178.196 178.196 178.177 0.019 19522 11754 1 18 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.250 -1.270 19522 11755 1 18 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.530 -2.690 19522 11756 1 18 . 1 1 110 110 ASP H H 110 8.380 8.380 8.533 -0.153 19522 11757 1 18 . 1 1 111 111 LEU N N 111 120.827 120.827 119.693 1.134 19522 11758 1 18 . 1 1 111 111 LEU C C 111 178.804 178.804 178.840 -0.036 19522 11759 1 18 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.285 -1.186 19522 11760 1 18 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.732 -0.935 19522 11761 1 18 . 1 1 111 111 LEU H H 111 7.783 7.783 8.365 -0.582 19522 11762 1 18 . 1 1 112 112 THR N N 112 109.101 109.101 111.918 -2.817 19522 11763 1 18 . 1 1 112 112 THR C C 112 177.157 177.157 177.446 -0.289 19522 11764 1 18 . 1 1 112 112 THR CA C 112 64.690 64.690 65.638 -0.948 19522 11765 1 18 . 1 1 112 112 THR CB C 112 67.407 67.407 68.257 -0.850 19522 11766 1 18 . 1 1 112 112 THR H H 112 8.331 8.331 7.904 0.427 19522 11767 1 18 . 1 1 113 113 SER N N 113 115.811 115.811 118.767 -2.956 19522 11768 1 18 . 1 1 113 113 SER C C 113 175.319 175.319 176.673 -1.354 19522 11769 1 18 . 1 1 113 113 SER CA C 113 59.736 59.736 61.506 -1.770 19522 11770 1 18 . 1 1 113 113 SER CB C 113 62.213 62.213 62.896 -0.683 19522 11771 1 18 . 1 1 113 113 SER H H 113 7.645 7.645 7.604 0.041 19522 11772 1 18 . 1 1 114 114 GLN N N 114 118.421 118.421 122.607 -4.186 19522 11773 1 18 . 1 1 114 114 GLN C C 114 175.978 175.978 178.147 -2.169 19522 11774 1 18 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.369 -1.910 19522 11775 1 18 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.420 -0.409 19522 11776 1 18 . 1 1 114 114 GLN H H 114 7.614 7.614 8.237 -0.623 19522 11777 1 18 . 1 1 115 115 LEU N N 115 118.236 118.236 117.695 0.541 19522 11778 1 18 . 1 1 115 115 LEU C C 115 176.198 176.198 177.355 -1.157 19522 11779 1 18 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.951 -1.147 19522 11780 1 18 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.638 -0.083 19522 11781 1 18 . 1 1 115 115 LEU H H 115 7.383 7.383 8.143 -0.760 19522 11782 1 18 . 1 1 116 116 HIS N N 116 119.694 119.694 115.762 3.932 19522 11783 1 18 . 1 1 116 116 HIS C C 116 174.122 174.122 174.268 -0.146 19522 11784 1 18 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.301 -0.922 19522 11785 1 18 . 1 1 116 116 HIS CB C 116 28.251 28.251 28.924 -0.673 19522 11786 1 18 . 1 1 116 116 HIS H H 116 8.158 8.158 7.654 0.504 19522 11787 1 18 . 1 1 117 117 ILE N N 117 122.347 122.347 114.679 7.668 19522 11788 1 18 . 1 1 117 117 ILE C C 117 176.377 176.377 175.587 0.790 19522 11789 1 18 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.716 -0.999 19522 11790 1 18 . 1 1 117 117 ILE CB C 117 37.224 37.224 36.232 0.992 19522 11791 1 18 . 1 1 117 117 ILE H H 117 8.658 8.658 8.019 0.639 19522 11792 1 18 . 1 1 118 118 THR N N 118 115.798 115.798 119.426 -3.628 19522 11793 1 18 . 1 1 118 118 THR CA C 118 57.921 57.921 60.208 -2.287 19522 11794 1 18 . 1 1 118 118 THR CB C 118 63.434 63.434 68.848 -5.414 19522 11795 1 18 . 1 1 118 118 THR H H 118 8.227 8.227 8.192 0.035 19522 11796 1 18 . 1 1 120 120 GLY N N 120 109.574 109.574 107.944 1.630 19522 11797 1 18 . 1 1 120 120 GLY C C 120 180.495 180.495 173.556 6.939 19522 11798 1 18 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.651 -1.258 19522 11799 1 18 . 1 1 120 120 GLY H H 120 8.429 8.429 7.997 0.432 19522 11800 1 18 . 1 1 121 121 THR N N 121 113.419 113.419 116.464 -3.045 19522 11801 1 18 . 1 1 121 121 THR C C 121 178.096 178.096 173.655 4.441 19522 11802 1 18 . 1 1 121 121 THR CA C 121 62.041 62.041 62.211 -0.170 19522 11803 1 18 . 1 1 121 121 THR CB C 121 63.994 63.994 66.658 -2.664 19522 11804 1 18 . 1 1 121 121 THR H H 121 7.774 7.774 8.202 -0.428 19522 11805 1 18 . 1 1 122 122 ALA N N 122 121.876 121.876 126.329 -4.453 19522 11806 1 18 . 1 1 122 122 ALA C C 122 177.397 177.397 176.645 0.752 19522 11807 1 18 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.590 -0.966 19522 11808 1 18 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.637 -2.112 19522 11809 1 18 . 1 1 122 122 ALA H H 122 7.944 7.944 8.285 -0.341 19522 11810 1 18 . 1 1 123 123 TYR N N 123 120.931 120.931 115.494 5.437 19522 11811 1 18 . 1 1 123 123 TYR C C 123 176.060 176.060 177.425 -1.365 19522 11812 1 18 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.465 1.590 19522 11813 1 18 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.759 -2.277 19522 11814 1 18 . 1 1 123 123 TYR H H 123 8.748 8.748 7.378 1.370 19522 11815 1 18 . 1 1 124 124 GLN N N 124 115.002 115.002 121.210 -6.208 19522 11816 1 18 . 1 1 124 124 GLN C C 124 178.098 178.098 178.397 -0.299 19522 11817 1 18 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.156 -0.516 19522 11818 1 18 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.408 -1.892 19522 11819 1 18 . 1 1 124 124 GLN H H 124 8.454 8.454 7.289 1.165 19522 11820 1 18 . 1 1 125 125 SER N N 125 114.135 114.135 115.462 -1.327 19522 11821 1 18 . 1 1 125 125 SER C C 125 179.557 179.557 176.169 3.388 19522 11822 1 18 . 1 1 125 125 SER CA C 125 61.357 61.357 61.543 -0.186 19522 11823 1 18 . 1 1 125 125 SER CB C 125 61.357 61.357 62.721 -1.364 19522 11824 1 18 . 1 1 125 125 SER H H 125 7.283 7.283 7.615 -0.332 19522 11825 1 18 . 1 1 126 126 PHE N N 126 113.327 113.327 123.572 -10.245 19522 11826 1 18 . 1 1 126 126 PHE C C 126 174.879 174.879 176.872 -1.993 19522 11827 1 18 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.798 0.319 19522 11828 1 18 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.038 -1.335 19522 11829 1 18 . 1 1 126 126 PHE H H 126 6.606 6.606 8.088 -1.482 19522 11830 1 18 . 1 1 127 127 GLU N N 127 119.398 119.398 118.700 0.698 19522 11831 1 18 . 1 1 127 127 GLU C C 127 176.857 176.857 178.981 -2.124 19522 11832 1 18 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.603 -1.545 19522 11833 1 18 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.015 -0.125 19522 11834 1 18 . 1 1 127 127 GLU H H 127 8.546 8.546 8.026 0.520 19522 11835 1 18 . 1 1 128 128 GLN N N 128 114.754 114.754 119.443 -4.689 19522 11836 1 18 . 1 1 128 128 GLN C C 128 178.356 178.356 178.663 -0.307 19522 11837 1 18 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.536 -0.456 19522 11838 1 18 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.389 -1.394 19522 11839 1 18 . 1 1 128 128 GLN H H 128 7.525 7.525 8.110 -0.585 19522 11840 1 18 . 1 1 129 129 VAL N N 129 118.194 118.194 119.598 -1.404 19522 11841 1 18 . 1 1 129 129 VAL C C 129 177.756 177.756 178.200 -0.444 19522 11842 1 18 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.355 -1.265 19522 11843 1 18 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.416 -1.167 19522 11844 1 18 . 1 1 129 129 VAL H H 129 7.036 7.036 7.722 -0.686 19522 11845 1 18 . 1 1 130 130 VAL N N 130 119.459 119.459 119.076 0.383 19522 11846 1 18 . 1 1 130 130 VAL C C 130 177.714 177.714 177.555 0.159 19522 11847 1 18 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.098 -0.689 19522 11848 1 18 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.418 -0.946 19522 11849 1 18 . 1 1 130 130 VAL H H 130 7.831 7.831 8.056 -0.225 19522 11850 1 18 . 1 1 131 131 ASN N N 131 117.212 117.212 117.356 -0.144 19522 11851 1 18 . 1 1 131 131 ASN C C 131 178.775 178.775 177.147 1.628 19522 11852 1 18 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.595 -1.951 19522 11853 1 18 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.604 -2.339 19522 11854 1 18 . 1 1 131 131 ASN H H 131 8.374 8.374 8.436 -0.062 19522 11855 1 18 . 1 1 132 132 GLU N N 132 118.393 118.393 119.570 -1.177 19522 11856 1 18 . 1 1 132 132 GLU C C 132 179.097 179.097 178.263 0.834 19522 11857 1 18 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.879 -0.901 19522 11858 1 18 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.217 -1.845 19522 11859 1 18 . 1 1 132 132 GLU H H 132 7.226 7.226 7.421 -0.195 19522 11860 1 18 . 1 1 133 133 LEU N N 133 120.835 120.835 119.135 1.700 19522 11861 1 18 . 1 1 133 133 LEU C C 133 178.016 178.016 178.168 -0.152 19522 11862 1 18 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.494 -0.692 19522 11863 1 18 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.494 -1.713 19522 11864 1 18 . 1 1 133 133 LEU H H 133 7.467 7.467 7.274 0.193 19522 11865 1 18 . 1 1 134 134 PHE N N 134 112.847 112.847 117.850 -5.003 19522 11866 1 18 . 1 1 134 134 PHE C C 134 176.258 176.258 177.714 -1.456 19522 11867 1 18 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.719 -3.180 19522 11868 1 18 . 1 1 134 134 PHE CB C 134 37.863 37.863 37.908 -0.045 19522 11869 1 18 . 1 1 134 134 PHE H H 134 6.926 6.926 7.203 -0.277 19522 11870 1 18 . 1 1 135 135 ARG N N 135 123.664 123.664 117.803 5.861 19522 11871 1 18 . 1 1 135 135 ARG C C 135 176.957 176.957 177.278 -0.321 19522 11872 1 18 . 1 1 135 135 ARG CA C 135 58.937 58.937 58.533 0.404 19522 11873 1 18 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.377 -2.366 19522 11874 1 18 . 1 1 135 135 ARG H H 135 7.144 7.144 7.855 -0.711 19522 11875 1 18 . 1 1 136 136 ASP N N 136 116.448 116.448 116.185 0.263 19522 11876 1 18 . 1 1 136 136 ASP C C 136 175.339 175.339 177.019 -1.680 19522 11877 1 18 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.423 -1.080 19522 11878 1 18 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.572 -4.974 19522 11879 1 18 . 1 1 136 136 ASP H H 136 8.607 8.607 7.652 0.956 19522 11880 1 18 . 1 1 137 137 GLY N N 137 108.506 108.506 108.728 -0.222 19522 11881 1 18 . 1 1 137 137 GLY C C 137 172.324 172.324 173.724 -1.400 19522 11882 1 18 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.593 -1.798 19522 11883 1 18 . 1 1 137 137 GLY H H 137 7.468 7.468 8.374 -0.906 19522 11884 1 18 . 1 1 138 138 VAL N N 138 120.519 120.519 123.104 -2.585 19522 11885 1 18 . 1 1 138 138 VAL C C 138 174.160 174.160 174.919 -0.759 19522 11886 1 18 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.729 0.164 19522 11887 1 18 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.447 1.361 19522 11888 1 18 . 1 1 138 138 VAL H H 138 8.181 8.181 8.430 -0.249 19522 11889 1 18 . 1 1 139 139 ASN N N 139 115.573 115.573 121.978 -6.405 19522 11890 1 18 . 1 1 139 139 ASN C C 139 174.959 174.959 175.691 -0.732 19522 11891 1 18 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.373 -0.348 19522 11892 1 18 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.553 -1.914 19522 11893 1 18 . 1 1 139 139 ASN H H 139 6.261 6.261 7.854 -1.593 19522 11894 1 18 . 1 1 140 140 TRP N N 140 118.231 118.231 126.728 -8.497 19522 11895 1 18 . 1 1 140 140 TRP C C 140 177.976 177.976 177.645 0.331 19522 11896 1 18 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.452 0.683 19522 11897 1 18 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.171 -0.562 19522 11898 1 18 . 1 1 140 140 TRP H H 140 8.413 8.413 9.223 -0.810 19522 11899 1 18 . 1 1 141 141 GLY N N 141 106.238 106.238 106.476 -0.238 19522 11900 1 18 . 1 1 141 141 GLY C C 141 177.297 177.297 175.448 1.849 19522 11901 1 18 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.321 0.150 19522 11902 1 18 . 1 1 141 141 GLY H H 141 8.494 8.494 9.145 -0.651 19522 11903 1 18 . 1 1 142 142 ARG N N 142 121.156 121.156 122.268 -1.112 19522 11904 1 18 . 1 1 142 142 ARG C C 142 177.457 177.457 178.148 -0.691 19522 11905 1 18 . 1 1 142 142 ARG CA C 142 57.498 57.498 58.030 -0.532 19522 11906 1 18 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.008 -0.399 19522 11907 1 18 . 1 1 142 142 ARG H H 142 8.104 8.104 7.653 0.451 19522 11908 1 18 . 1 1 143 143 ILE N N 143 120.888 120.888 119.634 1.254 19522 11909 1 18 . 1 1 143 143 ILE C C 143 177.756 177.756 177.209 0.547 19522 11910 1 18 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.274 1.615 19522 11911 1 18 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.858 -2.255 19522 11912 1 18 . 1 1 143 143 ILE H H 143 7.696 7.696 8.063 -0.367 19522 11913 1 18 . 1 1 144 144 VAL N N 144 120.958 120.958 119.151 1.807 19522 11914 1 18 . 1 1 144 144 VAL C C 144 177.557 177.557 177.718 -0.161 19522 11915 1 18 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.176 0.912 19522 11916 1 18 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.225 -0.136 19522 11917 1 18 . 1 1 144 144 VAL H H 144 8.229 8.229 7.213 1.016 19522 11918 1 18 . 1 1 145 145 ALA N N 145 121.229 121.229 123.006 -1.777 19522 11919 1 18 . 1 1 145 145 ALA C C 145 177.999 177.999 178.956 -0.957 19522 11920 1 18 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.121 -1.059 19522 11921 1 18 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.234 -1.251 19522 11922 1 18 . 1 1 145 145 ALA H H 145 7.579 7.579 7.472 0.107 19522 11923 1 18 . 1 1 146 146 PHE N N 146 119.338 119.338 119.966 -0.628 19522 11924 1 18 . 1 1 146 146 PHE C C 146 179.432 179.432 177.151 2.281 19522 11925 1 18 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.688 -0.519 19522 11926 1 18 . 1 1 146 146 PHE CB C 146 37.863 37.863 38.981 -1.118 19522 11927 1 18 . 1 1 146 146 PHE H H 146 7.985 7.985 8.266 -0.281 19522 11928 1 18 . 1 1 147 147 PHE N N 147 119.900 119.900 117.549 2.351 19522 11929 1 18 . 1 1 147 147 PHE C C 147 177.399 177.399 177.700 -0.301 19522 11930 1 18 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.123 -3.004 19522 11931 1 18 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.348 1.090 19522 11932 1 18 . 1 1 147 147 PHE H H 147 7.824 7.824 8.278 -0.454 19522 11933 1 18 . 1 1 148 148 SER N N 148 114.725 114.725 116.629 -1.904 19522 11934 1 18 . 1 1 148 148 SER C C 148 177.357 177.357 176.253 1.104 19522 11935 1 18 . 1 1 148 148 SER CA C 148 63.115 63.115 62.245 0.870 19522 11936 1 18 . 1 1 148 148 SER CB C 148 61.893 61.893 62.375 -0.482 19522 11937 1 18 . 1 1 148 148 SER H H 148 8.423 8.423 8.105 0.318 19522 11938 1 18 . 1 1 149 149 PHE N N 149 124.361 124.361 121.220 3.141 19522 11939 1 18 . 1 1 149 149 PHE C C 149 176.338 176.338 178.113 -1.775 19522 11940 1 18 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.190 -1.854 19522 11941 1 18 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.383 -1.102 19522 11942 1 18 . 1 1 149 149 PHE H H 149 9.097 9.097 8.290 0.807 19522 11943 1 18 . 1 1 150 150 GLY N N 150 105.935 105.935 105.967 -0.032 19522 11944 1 18 . 1 1 150 150 GLY C C 150 176.398 176.398 176.189 0.209 19522 11945 1 18 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.624 0.406 19522 11946 1 18 . 1 1 150 150 GLY H H 150 7.937 7.937 7.867 0.070 19522 11947 1 18 . 1 1 151 151 GLY N N 151 107.449 107.449 109.891 -2.442 19522 11948 1 18 . 1 1 151 151 GLY C C 151 174.300 174.300 175.501 -1.201 19522 11949 1 18 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.637 0.313 19522 11950 1 18 . 1 1 151 151 GLY H H 151 8.803 8.803 8.333 0.470 19522 11951 1 18 . 1 1 152 152 ALA N N 152 124.384 124.384 123.968 0.416 19522 11952 1 18 . 1 1 152 152 ALA C C 152 177.636 177.636 179.358 -1.722 19522 11953 1 18 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.431 -0.289 19522 11954 1 18 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.480 -1.417 19522 11955 1 18 . 1 1 152 152 ALA H H 152 8.232 8.232 7.983 0.249 19522 11956 1 18 . 1 1 153 153 LEU N N 153 118.871 118.871 120.104 -1.233 19522 11957 1 18 . 1 1 153 153 LEU C C 153 179.937 179.937 178.635 1.302 19522 11958 1 18 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.477 -0.888 19522 11959 1 18 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.721 -1.061 19522 11960 1 18 . 1 1 153 153 LEU H H 153 8.159 8.159 7.757 0.402 19522 11961 1 18 . 1 1 154 154 CYS N N 154 118.554 118.554 117.921 0.633 19522 11962 1 18 . 1 1 154 154 CYS C C 154 177.332 177.332 176.772 0.560 19522 11963 1 18 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.765 -2.469 19522 11964 1 18 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.039 -1.802 19522 11965 1 18 . 1 1 154 154 CYS H H 154 8.049 8.049 8.403 -0.354 19522 11966 1 18 . 1 1 155 155 VAL N N 155 118.474 118.474 121.757 -3.283 19522 11967 1 18 . 1 1 155 155 VAL C C 155 175.723 175.723 178.381 -2.658 19522 11968 1 18 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.786 -0.657 19522 11969 1 18 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.945 -0.216 19522 11970 1 18 . 1 1 155 155 VAL H H 155 8.016 8.016 7.511 0.505 19522 11971 1 18 . 1 1 156 156 GLU N N 156 119.114 119.114 117.807 1.307 19522 11972 1 18 . 1 1 156 156 GLU C C 156 178.036 178.036 178.838 -0.802 19522 11973 1 18 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.302 2.976 19522 11974 1 18 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.907 -1.455 19522 11975 1 18 . 1 1 156 156 GLU H H 156 8.025 8.025 7.927 0.098 19522 11976 1 18 . 1 1 157 157 SER N N 157 113.391 113.391 116.019 -2.628 19522 11977 1 18 . 1 1 157 157 SER C C 157 175.299 175.299 175.851 -0.552 19522 11978 1 18 . 1 1 157 157 SER CA C 157 62.373 62.373 62.049 0.324 19522 11979 1 18 . 1 1 157 157 SER CB C 157 60.854 60.854 63.218 -2.364 19522 11980 1 18 . 1 1 157 157 SER H H 157 7.629 7.629 7.370 0.259 19522 11981 1 18 . 1 1 158 158 VAL N N 158 120.493 120.493 121.157 -0.664 19522 11982 1 18 . 1 1 158 158 VAL C C 158 173.977 173.977 177.481 -3.504 19522 11983 1 18 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.171 1.558 19522 11984 1 18 . 1 1 158 158 VAL CB C 158 29.609 29.609 30.905 -1.296 19522 11985 1 18 . 1 1 158 158 VAL H H 158 7.374 7.374 7.476 -0.102 19522 11986 1 18 . 1 1 159 159 ASP N N 159 123.215 123.215 121.966 1.249 19522 11987 1 18 . 1 1 159 159 ASP C C 159 177.696 177.696 177.537 0.159 19522 11988 1 18 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.688 -0.069 19522 11989 1 18 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.989 -1.071 19522 11990 1 18 . 1 1 159 159 ASP H H 159 8.309 8.309 8.441 -0.132 19522 11991 1 18 . 1 1 160 160 LYS N N 160 115.648 115.648 118.075 -2.427 19522 11992 1 18 . 1 1 160 160 LYS C C 160 174.839 174.839 175.401 -0.562 19522 11993 1 18 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.641 -0.540 19522 11994 1 18 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.946 -2.458 19522 11995 1 18 . 1 1 160 160 LYS H H 160 7.541 7.541 7.412 0.129 19522 11996 1 18 . 1 1 161 161 GLU N N 161 113.911 113.911 119.191 -5.280 19522 11997 1 18 . 1 1 161 161 GLU C C 161 175.781 175.781 176.190 -0.409 19522 11998 1 18 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.007 -1.228 19522 11999 1 18 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.262 -3.208 19522 12000 1 18 . 1 1 161 161 GLU H H 161 7.842 7.842 7.777 0.065 19522 12001 1 18 . 1 1 162 162 MET N N 162 118.882 118.882 118.487 0.395 19522 12002 1 18 . 1 1 162 162 MET C C 162 176.597 176.597 176.947 -0.350 19522 12003 1 18 . 1 1 162 162 MET CA C 162 52.646 52.646 56.087 -3.441 19522 12004 1 18 . 1 1 162 162 MET CB C 162 30.488 30.488 33.766 -3.278 19522 12005 1 18 . 1 1 162 162 MET H H 162 8.420 8.420 8.592 -0.172 19522 12006 1 18 . 1 1 163 163 GLN N N 163 119.366 119.366 117.633 1.733 19522 12007 1 18 . 1 1 163 163 GLN C C 163 177.397 177.397 177.514 -0.117 19522 12008 1 18 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.520 0.656 19522 12009 1 18 . 1 1 163 163 GLN CB C 163 26.093 26.093 26.785 -0.692 19522 12010 1 18 . 1 1 163 163 GLN H H 163 8.615 8.615 8.357 0.258 19522 12011 1 18 . 1 1 164 164 VAL N N 164 116.957 116.957 120.956 -3.999 19522 12012 1 18 . 1 1 164 164 VAL C C 164 175.459 175.459 177.242 -1.783 19522 12013 1 18 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.437 -2.585 19522 12014 1 18 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.494 -1.405 19522 12015 1 18 . 1 1 164 164 VAL H H 164 7.938 7.938 7.969 -0.031 19522 12016 1 18 . 1 1 165 165 LEU N N 165 117.124 117.124 120.170 -3.046 19522 12017 1 18 . 1 1 165 165 LEU C C 165 177.714 177.714 178.458 -0.744 19522 12018 1 18 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.232 -2.549 19522 12019 1 18 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.781 -2.103 19522 12020 1 18 . 1 1 165 165 LEU H H 165 7.741 7.741 7.470 0.271 19522 12021 1 18 . 1 1 166 166 VAL N N 166 119.434 119.434 117.274 2.160 19522 12022 1 18 . 1 1 166 166 VAL C C 166 176.817 176.817 177.984 -1.167 19522 12023 1 18 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.277 1.571 19522 12024 1 18 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.139 -1.769 19522 12025 1 18 . 1 1 166 166 VAL H H 166 7.342 7.342 8.373 -1.031 19522 12026 1 18 . 1 1 167 167 SER N N 167 110.775 110.775 116.743 -5.968 19522 12027 1 18 . 1 1 167 167 SER C C 167 176.737 176.737 176.649 0.088 19522 12028 1 18 . 1 1 167 167 SER CA C 167 60.215 60.215 62.377 -2.162 19522 12029 1 18 . 1 1 167 167 SER CB C 167 61.654 61.654 62.657 -1.002 19522 12030 1 18 . 1 1 167 167 SER H H 167 8.099 8.099 7.876 0.223 19522 12031 1 18 . 1 1 168 168 ARG N N 168 122.916 122.916 120.729 2.187 19522 12032 1 18 . 1 1 168 168 ARG C C 168 175.439 175.439 178.059 -2.620 19522 12033 1 18 . 1 1 168 168 ARG CA C 168 60.615 60.615 58.016 2.599 19522 12034 1 18 . 1 1 168 168 ARG CB C 168 28.011 28.011 29.893 -1.882 19522 12035 1 18 . 1 1 168 168 ARG H H 168 6.596 6.596 7.823 -1.227 19522 12036 1 18 . 1 1 169 169 ILE N N 169 118.335 118.335 120.405 -2.070 19522 12037 1 18 . 1 1 169 169 ILE C C 169 177.779 177.779 177.722 0.057 19522 12038 1 18 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.295 -1.164 19522 12039 1 18 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.617 -0.656 19522 12040 1 18 . 1 1 169 169 ILE H H 169 7.928 7.928 7.545 0.383 19522 12041 1 18 . 1 1 170 170 ALA N N 170 119.271 119.271 121.104 -1.833 19522 12042 1 18 . 1 1 170 170 ALA C C 170 179.195 179.195 179.243 -0.048 19522 12043 1 18 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.308 -1.406 19522 12044 1 18 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.857 -1.033 19522 12045 1 18 . 1 1 170 170 ALA H H 170 7.672 7.672 8.261 -0.589 19522 12046 1 18 . 1 1 171 171 ALA N N 171 120.393 120.393 121.597 -1.204 19522 12047 1 18 . 1 1 171 171 ALA C C 171 180.833 180.833 179.653 1.180 19522 12048 1 18 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.616 -0.474 19522 12049 1 18 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.791 -1.287 19522 12050 1 18 . 1 1 171 171 ALA H H 171 7.258 7.258 7.306 -0.048 19522 12051 1 18 . 1 1 172 172 TRP N N 172 121.501 121.501 118.571 2.930 19522 12052 1 18 . 1 1 172 172 TRP C C 172 179.350 179.350 178.479 0.871 19522 12053 1 18 . 1 1 172 172 TRP CA C 172 57.019 57.019 58.748 -1.729 19522 12054 1 18 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.756 -1.464 19522 12055 1 18 . 1 1 172 172 TRP H H 172 8.936 8.936 7.802 1.134 19522 12056 1 18 . 1 1 173 173 MET N N 173 117.211 117.211 119.640 -2.429 19522 12057 1 18 . 1 1 173 173 MET C C 173 176.158 176.158 178.198 -2.040 19522 12058 1 18 . 1 1 173 173 MET CA C 173 60.238 60.238 59.270 0.968 19522 12059 1 18 . 1 1 173 173 MET CB C 173 28.833 28.833 33.024 -4.191 19522 12060 1 18 . 1 1 173 173 MET H H 173 8.885 8.885 8.548 0.337 19522 12061 1 18 . 1 1 174 174 ALA N N 174 120.901 120.901 120.043 0.858 19522 12062 1 18 . 1 1 174 174 ALA C C 174 178.875 178.875 179.504 -0.629 19522 12063 1 18 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.452 -0.591 19522 12064 1 18 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.231 -1.544 19522 12065 1 18 . 1 1 174 174 ALA H H 174 8.206 8.206 8.490 -0.284 19522 12066 1 18 . 1 1 175 175 THR N N 175 116.591 116.591 113.473 3.118 19522 12067 1 18 . 1 1 175 175 THR C C 175 174.782 174.782 176.674 -1.892 19522 12068 1 18 . 1 1 175 175 THR CA C 175 66.209 66.209 65.340 0.869 19522 12069 1 18 . 1 1 175 175 THR CB C 175 68.046 68.046 68.619 -0.573 19522 12070 1 18 . 1 1 175 175 THR H H 175 8.530 8.530 7.845 0.685 19522 12071 1 18 . 1 1 176 176 TYR N N 176 123.375 123.375 123.946 -0.571 19522 12072 1 18 . 1 1 176 176 TYR C C 176 179.255 179.255 176.961 2.294 19522 12073 1 18 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.501 1.872 19522 12074 1 18 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.885 -1.022 19522 12075 1 18 . 1 1 176 176 TYR H H 176 8.822 8.822 7.998 0.824 19522 12076 1 18 . 1 1 177 177 LEU N N 177 119.511 119.511 121.675 -2.164 19522 12077 1 18 . 1 1 177 177 LEU C C 177 177.979 177.979 178.138 -0.159 19522 12078 1 18 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.717 -0.260 19522 12079 1 18 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.880 -0.604 19522 12080 1 18 . 1 1 177 177 LEU H H 177 8.759 8.759 8.746 0.013 19522 12081 1 18 . 1 1 178 178 ASN N N 178 117.233 117.233 116.395 0.838 19522 12082 1 18 . 1 1 178 178 ASN C C 178 176.021 176.021 176.422 -0.401 19522 12083 1 18 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.040 -0.197 19522 12084 1 18 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.396 -0.293 19522 12085 1 18 . 1 1 178 178 ASN H H 178 8.333 8.333 7.844 0.489 19522 12086 1 18 . 1 1 179 179 ASP N N 179 115.264 115.264 118.694 -3.430 19522 12087 1 18 . 1 1 179 179 ASP C C 179 177.557 177.557 176.737 0.820 19522 12088 1 18 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.422 -0.522 19522 12089 1 18 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.554 -2.275 19522 12090 1 18 . 1 1 179 179 ASP H H 179 8.451 8.451 7.754 0.697 19522 12091 1 18 . 1 1 180 180 HIS N N 180 111.728 111.728 117.708 -5.980 19522 12092 1 18 . 1 1 180 180 HIS C C 180 175.479 175.479 177.004 -1.525 19522 12093 1 18 . 1 1 180 180 HIS CA C 180 55.421 55.421 57.402 -1.981 19522 12094 1 18 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.322 -2.713 19522 12095 1 18 . 1 1 180 180 HIS H H 180 8.073 8.073 7.929 0.144 19522 12096 1 18 . 1 1 181 181 LEU N N 181 116.833 116.833 121.175 -4.342 19522 12097 1 18 . 1 1 181 181 LEU C C 181 176.160 176.160 178.799 -2.639 19522 12098 1 18 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.511 -3.490 19522 12099 1 18 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.928 -0.172 19522 12100 1 18 . 1 1 181 181 LEU H H 181 7.183 7.183 7.440 -0.257 19522 12101 1 18 . 1 1 182 182 GLU N N 182 121.364 121.364 118.396 2.968 19522 12102 1 18 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.673 -0.659 19522 12103 1 18 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.668 -1.712 19522 12104 1 18 . 1 1 182 182 GLU H H 182 8.596 8.596 8.772 -0.176 19522 12105 1 18 . 1 1 184 184 TRP N N 184 117.804 117.804 120.176 -2.372 19522 12106 1 18 . 1 1 184 184 TRP C C 184 179.217 179.217 177.706 1.511 19522 12107 1 18 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.326 6.346 19522 12108 1 18 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.443 -1.370 19522 12109 1 18 . 1 1 184 184 TRP H H 184 7.070 7.070 7.507 -0.437 19522 12110 1 18 . 1 1 185 185 ILE N N 185 121.825 121.825 120.128 1.697 19522 12111 1 18 . 1 1 185 185 ILE C C 185 178.655 178.655 178.404 0.251 19522 12112 1 18 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.389 -0.117 19522 12113 1 18 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.905 -1.960 19522 12114 1 18 . 1 1 185 185 ILE H H 185 8.396 8.396 8.644 -0.248 19522 12115 1 18 . 1 1 186 186 GLN N N 186 116.489 116.489 116.304 0.185 19522 12116 1 18 . 1 1 186 186 GLN C C 186 179.035 179.035 176.771 2.264 19522 12117 1 18 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.572 0.246 19522 12118 1 18 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.051 -1.238 19522 12119 1 18 . 1 1 186 186 GLN H H 186 8.374 8.374 7.736 0.638 19522 12120 1 18 . 1 1 187 187 GLU N N 187 118.764 118.764 119.707 -0.943 19522 12121 1 18 . 1 1 187 187 GLU C C 187 176.458 176.458 177.466 -1.008 19522 12122 1 18 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.071 -0.051 19522 12123 1 18 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.442 -2.031 19522 12124 1 18 . 1 1 187 187 GLU H H 187 7.515 7.515 7.595 -0.080 19522 12125 1 18 . 1 1 188 188 ASN N N 188 116.561 116.561 115.942 0.619 19522 12126 1 18 . 1 1 188 188 ASN C C 188 173.620 173.620 174.713 -1.093 19522 12127 1 18 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.053 -0.190 19522 12128 1 18 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.742 -3.021 19522 12129 1 18 . 1 1 188 188 ASN H H 188 7.092 7.092 7.857 -0.765 19522 12130 1 18 . 1 1 189 189 GLY N N 189 104.897 104.897 104.572 0.325 19522 12131 1 18 . 1 1 189 189 GLY C C 189 175.658 175.658 173.017 2.641 19522 12132 1 18 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.478 0.314 19522 12133 1 18 . 1 1 189 189 GLY H H 189 7.339 7.339 7.432 -0.093 19522 12134 1 18 . 1 1 190 190 GLY N N 190 108.292 108.292 109.908 -1.616 19522 12135 1 18 . 1 1 190 190 GLY C C 190 173.021 173.021 174.875 -1.854 19522 12136 1 18 . 1 1 190 190 GLY CA C 190 43.354 43.354 44.923 -1.569 19522 12137 1 18 . 1 1 190 190 GLY H H 190 8.462 8.462 9.324 -0.862 19522 12138 1 18 . 1 1 191 191 TRP N N 191 118.031 118.031 121.225 -3.194 19522 12139 1 18 . 1 1 191 191 TRP C C 191 178.136 178.136 177.325 0.811 19522 12140 1 18 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.072 -0.656 19522 12141 1 18 . 1 1 191 191 TRP CB C 191 28.650 28.650 28.941 -0.291 19522 12142 1 18 . 1 1 191 191 TRP H H 191 8.673 8.673 8.386 0.287 19522 12143 1 18 . 1 1 192 192 ASP N N 192 117.298 117.298 118.767 -1.469 19522 12144 1 18 . 1 1 192 192 ASP C C 192 179.058 179.058 177.772 1.286 19522 12145 1 18 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.438 0.421 19522 12146 1 18 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.720 -0.441 19522 12147 1 18 . 1 1 192 192 ASP H H 192 8.846 8.846 8.015 0.831 19522 12148 1 18 . 1 1 193 193 THR N N 193 116.061 116.061 113.002 3.059 19522 12149 1 18 . 1 1 193 193 THR C C 193 174.979 174.979 176.136 -1.157 19522 12150 1 18 . 1 1 193 193 THR CA C 193 65.649 65.649 64.098 1.551 19522 12151 1 18 . 1 1 193 193 THR CB C 193 67.327 67.327 68.402 -1.075 19522 12152 1 18 . 1 1 193 193 THR H H 193 7.431 7.431 7.587 -0.156 19522 12153 1 18 . 1 1 194 194 PHE N N 194 121.789 121.789 123.354 -1.565 19522 12154 1 18 . 1 1 194 194 PHE C C 194 176.418 176.418 176.645 -0.227 19522 12155 1 18 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.110 -0.096 19522 12156 1 18 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.293 -2.412 19522 12157 1 18 . 1 1 194 194 PHE H H 194 6.527 6.527 8.029 -1.502 19522 12158 1 18 . 1 1 195 195 VAL N N 195 116.988 116.988 117.267 -0.279 19522 12159 1 18 . 1 1 195 195 VAL C C 195 178.078 178.078 178.179 -0.101 19522 12160 1 18 . 1 1 195 195 VAL CA C 195 65.752 65.752 65.687 0.065 19522 12161 1 18 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.846 -0.358 19522 12162 1 18 . 1 1 195 195 VAL H H 195 7.747 7.747 8.122 -0.375 19522 12163 1 18 . 1 1 196 196 GLU N N 196 120.171 120.171 119.728 0.443 19522 12164 1 18 . 1 1 196 196 GLU C C 196 177.976 177.976 178.388 -0.412 19522 12165 1 18 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.200 -0.880 19522 12166 1 18 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.147 -0.474 19522 12167 1 18 . 1 1 196 196 GLU H H 196 7.497 7.497 7.757 -0.260 19522 12168 1 18 . 1 1 197 197 LEU N N 197 117.210 117.210 114.388 2.822 19522 12169 1 18 . 1 1 197 197 LEU C C 197 178.376 178.376 176.472 1.904 19522 12170 1 18 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.588 0.312 19522 12171 1 18 . 1 1 197 197 LEU CB C 197 42.395 42.395 40.287 2.108 19522 12172 1 18 . 1 1 197 197 LEU H H 197 7.626 7.626 7.426 0.200 19522 12173 1 18 . 1 1 198 198 TYR N N 198 115.681 115.681 119.717 -4.036 19522 12174 1 18 . 1 1 198 198 TYR C C 198 176.577 176.577 176.054 0.523 19522 12175 1 18 . 1 1 198 198 TYR CA C 198 58.377 58.377 58.689 -0.312 19522 12176 1 18 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.490 -2.969 19522 12177 1 18 . 1 1 198 198 TYR H H 198 8.081 8.081 7.574 0.507 19522 12178 1 18 . 1 1 199 199 GLY N N 199 108.201 108.201 106.177 2.024 19522 12179 1 18 . 1 1 199 199 GLY C C 199 173.640 173.640 175.044 -1.404 19522 12180 1 18 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.407 -0.854 19522 12181 1 18 . 1 1 199 199 GLY H H 199 8.032 8.032 8.424 -0.392 19522 12182 1 18 . 1 1 200 200 ASN N N 200 118.385 118.385 120.244 -1.859 19522 12183 1 18 . 1 1 200 200 ASN C C 200 175.081 175.081 175.862 -0.781 19522 12184 1 18 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.678 -0.894 19522 12185 1 18 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.610 -2.169 19522 12186 1 18 . 1 1 200 200 ASN H H 200 8.300 8.300 7.961 0.339 19522 12187 1 19 . 1 1 5 5 SER N N 5 116.171 116.171 120.900 -4.729 19522 12188 1 19 . 1 1 5 5 SER C C 5 174.320 174.320 174.567 -0.247 19522 12189 1 19 . 1 1 5 5 SER CA C 5 57.898 57.898 58.543 -0.645 19522 12190 1 19 . 1 1 5 5 SER CB C 5 62.533 62.533 63.718 -1.185 19522 12191 1 19 . 1 1 5 5 SER H H 5 8.224 8.224 8.683 -0.459 19522 12192 1 19 . 1 1 6 6 GLN N N 6 122.369 122.369 118.310 4.059 19522 12193 1 19 . 1 1 6 6 GLN C C 6 176.418 176.418 176.273 0.145 19522 12194 1 19 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.060 -0.160 19522 12195 1 19 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.307 1.503 19522 12196 1 19 . 1 1 6 6 GLN H H 6 8.337 8.337 8.481 -0.144 19522 12197 1 19 . 1 1 7 7 SER N N 7 116.584 116.584 115.206 1.378 19522 12198 1 19 . 1 1 7 7 SER C C 7 175.859 175.859 175.483 0.376 19522 12199 1 19 . 1 1 7 7 SER CA C 7 56.260 56.260 60.972 -4.712 19522 12200 1 19 . 1 1 7 7 SER CB C 7 61.916 61.916 62.858 -0.942 19522 12201 1 19 . 1 1 7 7 SER H H 7 8.221 8.221 9.012 -0.791 19522 12202 1 19 . 1 1 8 8 ASN N N 8 119.373 119.373 119.930 -0.557 19522 12203 1 19 . 1 1 8 8 ASN C C 8 177.259 177.259 176.886 0.373 19522 12204 1 19 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.410 -2.203 19522 12205 1 19 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.696 -2.032 19522 12206 1 19 . 1 1 8 8 ASN H H 8 8.375 8.375 7.814 0.561 19522 12207 1 19 . 1 1 9 9 ARG N N 9 119.039 119.039 121.739 -2.700 19522 12208 1 19 . 1 1 9 9 ARG C C 9 176.977 176.977 178.517 -1.540 19522 12209 1 19 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.249 -1.243 19522 12210 1 19 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.216 1.094 19522 12211 1 19 . 1 1 9 9 ARG H H 9 7.815 7.815 8.787 -0.972 19522 12212 1 19 . 1 1 10 10 GLU N N 10 117.158 117.158 119.211 -2.053 19522 12213 1 19 . 1 1 10 10 GLU C C 10 179.475 179.475 179.189 0.286 19522 12214 1 19 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.119 -3.622 19522 12215 1 19 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.093 -0.100 19522 12216 1 19 . 1 1 10 10 GLU H H 10 7.949 7.949 8.341 -0.392 19522 12217 1 19 . 1 1 11 11 LEU N N 11 119.880 119.880 120.231 -0.351 19522 12218 1 19 . 1 1 11 11 LEU C C 11 178.096 178.096 178.737 -0.641 19522 12219 1 19 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.715 -0.514 19522 12220 1 19 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.460 -1.542 19522 12221 1 19 . 1 1 11 11 LEU H H 11 7.807 7.807 7.324 0.483 19522 12222 1 19 . 1 1 12 12 VAL N N 12 117.702 117.702 119.705 -2.003 19522 12223 1 19 . 1 1 12 12 VAL C C 12 176.377 176.377 178.526 -2.149 19522 12224 1 19 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.197 -0.109 19522 12225 1 19 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.067 -0.099 19522 12226 1 19 . 1 1 12 12 VAL H H 12 7.690 7.690 8.080 -0.390 19522 12227 1 19 . 1 1 13 13 VAL N N 13 116.258 116.258 115.580 0.678 19522 12228 1 19 . 1 1 13 13 VAL C C 13 178.416 178.416 177.295 1.121 19522 12229 1 19 . 1 1 13 13 VAL CA C 13 65.912 65.912 66.164 -0.252 19522 12230 1 19 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.815 -2.222 19522 12231 1 19 . 1 1 13 13 VAL H H 13 8.225 8.225 7.983 0.242 19522 12232 1 19 . 1 1 14 14 ASP N N 14 120.362 120.362 121.885 -1.523 19522 12233 1 19 . 1 1 14 14 ASP C C 14 177.040 177.040 177.926 -0.886 19522 12234 1 19 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.651 0.327 19522 12235 1 19 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.193 1.065 19522 12236 1 19 . 1 1 14 14 ASP H H 14 7.967 7.967 7.669 0.298 19522 12237 1 19 . 1 1 15 15 PHE N N 15 119.747 119.747 120.613 -0.866 19522 12238 1 19 . 1 1 15 15 PHE C C 15 177.876 177.876 177.209 0.667 19522 12239 1 19 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.377 1.098 19522 12240 1 19 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.328 -0.746 19522 12241 1 19 . 1 1 15 15 PHE H H 15 8.308 8.308 8.289 0.019 19522 12242 1 19 . 1 1 16 16 LEU N N 16 116.203 116.203 120.098 -3.895 19522 12243 1 19 . 1 1 16 16 LEU C C 16 175.618 175.618 178.501 -2.883 19522 12244 1 19 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.262 -0.684 19522 12245 1 19 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.864 -1.524 19522 12246 1 19 . 1 1 16 16 LEU H H 16 8.718 8.718 8.312 0.406 19522 12247 1 19 . 1 1 17 17 SER N N 17 113.607 113.607 115.051 -1.444 19522 12248 1 19 . 1 1 17 17 SER C C 17 176.980 176.980 176.377 0.603 19522 12249 1 19 . 1 1 17 17 SER CA C 17 62.150 62.150 62.200 -0.050 19522 12250 1 19 . 1 1 17 17 SER CB C 17 60.854 60.854 62.911 -2.057 19522 12251 1 19 . 1 1 17 17 SER H H 17 8.338 8.338 8.179 0.159 19522 12252 1 19 . 1 1 18 18 TYR N N 18 124.591 124.591 122.473 2.118 19522 12253 1 19 . 1 1 18 18 TYR C C 18 177.996 177.996 177.582 0.414 19522 12254 1 19 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.927 -1.648 19522 12255 1 19 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.299 -1.954 19522 12256 1 19 . 1 1 18 18 TYR H H 18 8.228 8.228 8.048 0.180 19522 12257 1 19 . 1 1 19 19 LYS N N 19 119.761 119.761 118.851 0.910 19522 12258 1 19 . 1 1 19 19 LYS C C 19 179.841 179.841 178.747 1.094 19522 12259 1 19 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.774 -1.691 19522 12260 1 19 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.087 -3.437 19522 12261 1 19 . 1 1 19 19 LYS H H 19 8.230 8.230 7.478 0.752 19522 12262 1 19 . 1 1 20 20 LEU N N 20 118.077 118.077 118.892 -0.815 19522 12263 1 19 . 1 1 20 20 LEU C C 20 179.654 179.654 176.897 2.757 19522 12264 1 19 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.272 1.706 19522 12265 1 19 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.782 -2.344 19522 12266 1 19 . 1 1 20 20 LEU H H 20 8.534 8.534 7.640 0.894 19522 12267 1 19 . 1 1 21 21 SER N N 21 117.073 117.073 111.455 5.618 19522 12268 1 19 . 1 1 21 21 SER C C 21 178.204 178.204 174.429 3.775 19522 12269 1 19 . 1 1 21 21 SER CA C 21 60.375 60.375 57.887 2.488 19522 12270 1 19 . 1 1 21 21 SER CB C 21 61.836 61.836 62.616 -0.780 19522 12271 1 19 . 1 1 21 21 SER H H 21 8.239 8.239 7.163 1.076 19522 12272 1 19 . 1 1 22 22 GLN N N 22 122.767 122.767 121.865 0.902 19522 12273 1 19 . 1 1 22 22 GLN C C 22 176.997 176.997 175.708 1.289 19522 12274 1 19 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.457 0.121 19522 12275 1 19 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.731 -2.599 19522 12276 1 19 . 1 1 22 22 GLN H H 22 7.632 7.632 7.686 -0.054 19522 12277 1 19 . 1 1 23 23 LYS N N 23 116.016 116.016 119.416 -3.400 19522 12278 1 19 . 1 1 23 23 LYS C C 23 175.419 175.419 174.921 0.498 19522 12279 1 19 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.224 -3.281 19522 12280 1 19 . 1 1 23 23 LYS CB C 23 31.048 31.048 33.588 -2.540 19522 12281 1 19 . 1 1 23 23 LYS H H 23 7.167 7.167 8.394 -1.227 19522 12282 1 19 . 1 1 24 24 GLY N N 24 105.329 105.329 111.853 -6.524 19522 12283 1 19 . 1 1 24 24 GLY C C 24 173.680 173.680 173.196 0.484 19522 12284 1 19 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.503 -0.190 19522 12285 1 19 . 1 1 24 24 GLY H H 24 7.504 7.504 8.057 -0.553 19522 12286 1 19 . 1 1 25 25 TYR N N 25 119.528 119.528 114.496 5.032 19522 12287 1 19 . 1 1 25 25 TYR C C 25 174.779 174.779 174.189 0.590 19522 12288 1 19 . 1 1 25 25 TYR CA C 25 57.761 57.761 54.484 3.277 19522 12289 1 19 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.896 0.405 19522 12290 1 19 . 1 1 25 25 TYR H H 25 7.817 7.817 6.637 1.180 19522 12291 1 19 . 1 1 26 26 SER N N 26 115.815 115.815 120.622 -4.807 19522 12292 1 19 . 1 1 26 26 SER C C 26 173.860 173.860 175.350 -1.490 19522 12293 1 19 . 1 1 26 26 SER CA C 26 56.083 56.083 57.194 -1.111 19522 12294 1 19 . 1 1 26 26 SER CB C 26 63.275 63.275 63.758 -0.483 19522 12295 1 19 . 1 1 26 26 SER H H 26 8.475 8.475 7.860 0.615 19522 12296 1 19 . 1 1 27 27 TRP N N 27 126.476 126.476 121.104 5.372 19522 12297 1 19 . 1 1 27 27 TRP C C 27 174.141 174.141 177.532 -3.391 19522 12298 1 19 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.570 -0.170 19522 12299 1 19 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.177 0.033 19522 12300 1 19 . 1 1 27 27 TRP H H 27 8.720 8.720 7.625 1.095 19522 12301 1 19 . 1 1 28 28 SER N N 28 114.011 114.011 114.272 -0.261 19522 12302 1 19 . 1 1 28 28 SER C C 28 172.859 172.859 175.491 -2.632 19522 12303 1 19 . 1 1 28 28 SER CA C 28 66.186 66.186 60.436 5.750 19522 12304 1 19 . 1 1 28 28 SER CB C 28 61.996 61.996 62.385 -0.389 19522 12305 1 19 . 1 1 28 28 SER H H 28 8.034 8.034 7.805 0.229 19522 12306 1 19 . 1 1 29 29 GLN N N 29 120.138 120.138 120.270 -0.132 19522 12307 1 19 . 1 1 29 29 GLN C C 29 177.250 177.250 176.964 0.286 19522 12308 1 19 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.783 -2.613 19522 12309 1 19 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.055 -0.716 19522 12310 1 19 . 1 1 29 29 GLN H H 29 7.323 7.323 7.356 -0.033 19522 12311 1 19 . 1 1 30 30 PHE N N 30 113.775 113.775 118.619 -4.844 19522 12312 1 19 . 1 1 30 30 PHE C C 30 176.814 176.814 176.480 0.334 19522 12313 1 19 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.493 -3.330 19522 12314 1 19 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.726 -1.886 19522 12315 1 19 . 1 1 30 30 PHE H H 30 6.778 6.778 7.510 -0.732 19522 12316 1 19 . 1 1 87 87 ALA N N 87 124.732 124.732 124.118 0.614 19522 12317 1 19 . 1 1 87 87 ALA C C 87 175.941 175.941 177.050 -1.109 19522 12318 1 19 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.053 -2.203 19522 12319 1 19 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.402 -1.836 19522 12320 1 19 . 1 1 87 87 ALA H H 87 8.079 8.079 8.694 -0.615 19522 12321 1 19 . 1 1 88 88 ALA N N 88 121.664 121.664 120.640 1.024 19522 12322 1 19 . 1 1 88 88 ALA C C 88 177.523 177.523 178.021 -0.498 19522 12323 1 19 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.453 3.699 19522 12324 1 19 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.390 0.073 19522 12325 1 19 . 1 1 88 88 ALA H H 88 7.951 7.951 7.605 0.346 19522 12326 1 19 . 1 1 89 89 VAL N N 89 119.415 119.415 118.693 0.722 19522 12327 1 19 . 1 1 89 89 VAL C C 89 176.857 176.857 176.649 0.208 19522 12328 1 19 . 1 1 89 89 VAL CA C 89 61.836 61.836 65.814 -3.978 19522 12329 1 19 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.415 -0.344 19522 12330 1 19 . 1 1 89 89 VAL H H 89 8.161 8.161 8.403 -0.242 19522 12331 1 19 . 1 1 90 90 LYS N N 90 121.221 121.221 119.280 1.941 19522 12332 1 19 . 1 1 90 90 LYS C C 90 175.559 175.559 178.353 -2.794 19522 12333 1 19 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.913 -3.830 19522 12334 1 19 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.882 -2.969 19522 12335 1 19 . 1 1 90 90 LYS H H 90 8.529 8.529 8.140 0.389 19522 12336 1 19 . 1 1 91 91 GLN N N 91 115.879 115.879 118.387 -2.508 19522 12337 1 19 . 1 1 91 91 GLN C C 91 176.950 176.950 178.044 -1.094 19522 12338 1 19 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.314 -0.393 19522 12339 1 19 . 1 1 91 91 GLN CB C 91 27.235 27.235 27.995 -0.760 19522 12340 1 19 . 1 1 91 91 GLN H H 91 7.973 7.973 7.777 0.196 19522 12341 1 19 . 1 1 92 92 ALA N N 92 119.538 119.538 123.357 -3.819 19522 12342 1 19 . 1 1 92 92 ALA C C 92 179.537 179.537 179.796 -0.259 19522 12343 1 19 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.291 -1.046 19522 12344 1 19 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.184 -1.417 19522 12345 1 19 . 1 1 92 92 ALA H H 92 7.661 7.661 8.087 -0.426 19522 12346 1 19 . 1 1 93 93 LEU N N 93 120.236 120.236 118.339 1.897 19522 12347 1 19 . 1 1 93 93 LEU C C 93 179.075 179.075 179.212 -0.137 19522 12348 1 19 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.018 0.769 19522 12349 1 19 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.481 0.076 19522 12350 1 19 . 1 1 93 93 LEU H H 93 8.544 8.544 8.031 0.512 19522 12351 1 19 . 1 1 94 94 ARG N N 94 118.361 118.361 120.816 -2.455 19522 12352 1 19 . 1 1 94 94 ARG C C 94 178.396 178.396 178.464 -0.068 19522 12353 1 19 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.844 -0.108 19522 12354 1 19 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.720 -1.629 19522 12355 1 19 . 1 1 94 94 ARG H H 94 8.057 8.057 8.167 -0.110 19522 12356 1 19 . 1 1 95 95 GLU N N 95 115.851 115.851 119.240 -3.389 19522 12357 1 19 . 1 1 95 95 GLU C C 95 179.794 179.794 179.066 0.728 19522 12358 1 19 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.860 -1.643 19522 12359 1 19 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.385 -1.294 19522 12360 1 19 . 1 1 95 95 GLU H H 95 7.737 7.737 8.443 -0.706 19522 12361 1 19 . 1 1 96 96 ALA N N 96 122.958 122.958 121.259 1.699 19522 12362 1 19 . 1 1 96 96 ALA C C 96 181.313 181.313 180.142 1.171 19522 12363 1 19 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.208 -0.906 19522 12364 1 19 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.413 -0.710 19522 12365 1 19 . 1 1 96 96 ALA H H 96 8.824 8.824 7.831 0.993 19522 12366 1 19 . 1 1 97 97 GLY N N 97 108.363 108.363 107.446 0.917 19522 12367 1 19 . 1 1 97 97 GLY C C 97 178.177 178.177 176.341 1.836 19522 12368 1 19 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.563 -1.572 19522 12369 1 19 . 1 1 97 97 GLY H H 97 9.088 9.088 8.579 0.509 19522 12370 1 19 . 1 1 98 98 ASP N N 98 122.197 122.197 122.445 -0.248 19522 12371 1 19 . 1 1 98 98 ASP C C 98 178.715 178.715 179.008 -0.293 19522 12372 1 19 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.652 -0.633 19522 12373 1 19 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.707 -2.228 19522 12374 1 19 . 1 1 98 98 ASP H H 98 8.102 8.102 8.496 -0.394 19522 12375 1 19 . 1 1 99 99 GLU N N 99 120.103 120.103 119.527 0.576 19522 12376 1 19 . 1 1 99 99 GLU C C 99 179.513 179.513 178.913 0.600 19522 12377 1 19 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.559 -5.806 19522 12378 1 19 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.845 -1.354 19522 12379 1 19 . 1 1 99 99 GLU H H 99 8.115 8.115 8.254 -0.139 19522 12380 1 19 . 1 1 100 100 PHE N N 100 120.218 120.218 117.874 2.344 19522 12381 1 19 . 1 1 100 100 PHE C C 100 178.618 178.618 177.627 0.991 19522 12382 1 19 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.022 -3.562 19522 12383 1 19 . 1 1 100 100 PHE CB C 100 40.336 40.336 40.073 0.263 19522 12384 1 19 . 1 1 100 100 PHE H H 100 8.535 8.535 8.188 0.347 19522 12385 1 19 . 1 1 101 101 GLU N N 101 117.531 117.531 121.537 -4.006 19522 12386 1 19 . 1 1 101 101 GLU C C 101 177.339 177.339 179.067 -1.728 19522 12387 1 19 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.269 -2.667 19522 12388 1 19 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.848 -1.255 19522 12389 1 19 . 1 1 101 101 GLU H H 101 8.032 8.032 8.599 -0.567 19522 12390 1 19 . 1 1 102 102 LEU N N 102 116.641 116.641 116.142 0.499 19522 12391 1 19 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.943 -1.355 19522 12392 1 19 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.557 -0.784 19522 12393 1 19 . 1 1 102 102 LEU H H 102 7.369 7.369 7.808 -0.439 19522 12394 1 19 . 1 1 103 103 ARG N N 103 115.854 115.854 118.804 -2.950 19522 12395 1 19 . 1 1 103 103 ARG C C 103 177.605 177.605 178.153 -0.548 19522 12396 1 19 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.436 0.551 19522 12397 1 19 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.255 -0.105 19522 12398 1 19 . 1 1 103 103 ARG H H 103 7.472 7.472 7.725 -0.253 19522 12399 1 19 . 1 1 104 104 TYR N N 104 119.078 119.078 119.440 -0.362 19522 12400 1 19 . 1 1 104 104 TYR C C 104 174.962 174.962 177.589 -2.627 19522 12401 1 19 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.291 -0.450 19522 12402 1 19 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.665 -2.037 19522 12403 1 19 . 1 1 104 104 TYR H H 104 7.904 7.904 8.027 -0.123 19522 12404 1 19 . 1 1 105 105 ARG N N 105 119.378 119.378 118.601 0.777 19522 12405 1 19 . 1 1 105 105 ARG C C 105 178.395 178.395 177.008 1.387 19522 12406 1 19 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.995 0.926 19522 12407 1 19 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.252 -1.458 19522 12408 1 19 . 1 1 105 105 ARG H H 105 7.195 7.195 8.543 -1.348 19522 12409 1 19 . 1 1 106 106 ARG N N 106 118.875 118.875 119.557 -0.682 19522 12410 1 19 . 1 1 106 106 ARG C C 106 177.257 177.257 175.982 1.275 19522 12411 1 19 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.288 1.627 19522 12412 1 19 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.447 -2.893 19522 12413 1 19 . 1 1 106 106 ARG H H 106 8.452 8.452 7.884 0.568 19522 12414 1 19 . 1 1 107 107 ALA N N 107 121.864 121.864 122.380 -0.516 19522 12415 1 19 . 1 1 107 107 ALA C C 107 175.701 175.701 177.761 -2.060 19522 12416 1 19 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.225 0.419 19522 12417 1 19 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.749 0.314 19522 12418 1 19 . 1 1 107 107 ALA H H 107 7.839 7.839 7.698 0.141 19522 12419 1 19 . 1 1 108 108 PHE N N 108 121.984 121.984 121.459 0.525 19522 12420 1 19 . 1 1 108 108 PHE C C 108 174.982 174.982 174.789 0.193 19522 12421 1 19 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.778 -0.736 19522 12422 1 19 . 1 1 108 108 PHE CB C 108 39.838 39.838 37.061 2.777 19522 12423 1 19 . 1 1 108 108 PHE H H 108 8.392 8.392 7.972 0.420 19522 12424 1 19 . 1 1 109 109 SER N N 109 114.585 114.585 117.379 -2.794 19522 12425 1 19 . 1 1 109 109 SER C C 109 175.421 175.421 174.607 0.814 19522 12426 1 19 . 1 1 109 109 SER CA C 109 55.044 55.044 57.294 -2.250 19522 12427 1 19 . 1 1 109 109 SER CB C 109 63.241 63.241 65.384 -2.143 19522 12428 1 19 . 1 1 109 109 SER H H 109 7.810 7.810 7.983 -0.173 19522 12429 1 19 . 1 1 110 110 ASP N N 110 119.725 119.725 122.876 -3.151 19522 12430 1 19 . 1 1 110 110 ASP C C 110 178.196 178.196 178.195 0.001 19522 12431 1 19 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.019 -1.039 19522 12432 1 19 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.659 -2.819 19522 12433 1 19 . 1 1 110 110 ASP H H 110 8.380 8.380 8.612 -0.232 19522 12434 1 19 . 1 1 111 111 LEU N N 111 120.827 120.827 120.096 0.731 19522 12435 1 19 . 1 1 111 111 LEU C C 111 178.804 178.804 178.612 0.192 19522 12436 1 19 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.351 -1.252 19522 12437 1 19 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.787 -0.990 19522 12438 1 19 . 1 1 111 111 LEU H H 111 7.783 7.783 8.474 -0.691 19522 12439 1 19 . 1 1 112 112 THR N N 112 109.101 109.101 110.415 -1.314 19522 12440 1 19 . 1 1 112 112 THR C C 112 177.157 177.157 177.025 0.132 19522 12441 1 19 . 1 1 112 112 THR CA C 112 64.690 64.690 65.987 -1.297 19522 12442 1 19 . 1 1 112 112 THR CB C 112 67.407 67.407 68.338 -0.931 19522 12443 1 19 . 1 1 112 112 THR H H 112 8.331 8.331 8.038 0.293 19522 12444 1 19 . 1 1 113 113 SER N N 113 115.811 115.811 118.141 -2.330 19522 12445 1 19 . 1 1 113 113 SER C C 113 175.319 175.319 176.793 -1.474 19522 12446 1 19 . 1 1 113 113 SER CA C 113 59.736 59.736 61.131 -1.395 19522 12447 1 19 . 1 1 113 113 SER CB C 113 62.213 62.213 62.965 -0.752 19522 12448 1 19 . 1 1 113 113 SER H H 113 7.645 7.645 7.679 -0.034 19522 12449 1 19 . 1 1 114 114 GLN N N 114 118.421 118.421 122.871 -4.450 19522 12450 1 19 . 1 1 114 114 GLN C C 114 175.978 175.978 178.003 -2.025 19522 12451 1 19 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.366 -1.907 19522 12452 1 19 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.506 -0.496 19522 12453 1 19 . 1 1 114 114 GLN H H 114 7.614 7.614 8.164 -0.550 19522 12454 1 19 . 1 1 115 115 LEU N N 115 118.236 118.236 117.788 0.448 19522 12455 1 19 . 1 1 115 115 LEU C C 115 176.198 176.198 177.339 -1.141 19522 12456 1 19 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.846 -1.042 19522 12457 1 19 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.696 -0.141 19522 12458 1 19 . 1 1 115 115 LEU H H 115 7.383 7.383 8.232 -0.849 19522 12459 1 19 . 1 1 116 116 HIS N N 116 119.694 119.694 116.015 3.679 19522 12460 1 19 . 1 1 116 116 HIS C C 116 174.122 174.122 174.341 -0.219 19522 12461 1 19 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.394 -1.015 19522 12462 1 19 . 1 1 116 116 HIS CB C 116 28.251 28.251 28.979 -0.728 19522 12463 1 19 . 1 1 116 116 HIS H H 116 8.158 8.158 7.672 0.486 19522 12464 1 19 . 1 1 117 117 ILE N N 117 122.347 122.347 114.220 8.127 19522 12465 1 19 . 1 1 117 117 ILE C C 117 176.377 176.377 175.648 0.729 19522 12466 1 19 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.999 -1.282 19522 12467 1 19 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.690 1.534 19522 12468 1 19 . 1 1 117 117 ILE H H 117 8.658 8.658 8.222 0.436 19522 12469 1 19 . 1 1 118 118 THR N N 118 115.798 115.798 118.623 -2.825 19522 12470 1 19 . 1 1 118 118 THR CA C 118 57.921 57.921 59.919 -1.998 19522 12471 1 19 . 1 1 118 118 THR CB C 118 63.434 63.434 68.602 -5.168 19522 12472 1 19 . 1 1 118 118 THR H H 118 8.227 8.227 8.155 0.072 19522 12473 1 19 . 1 1 120 120 GLY N N 120 109.574 109.574 108.858 0.716 19522 12474 1 19 . 1 1 120 120 GLY C C 120 180.495 180.495 173.816 6.679 19522 12475 1 19 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.741 -1.348 19522 12476 1 19 . 1 1 120 120 GLY H H 120 8.429 8.429 8.245 0.184 19522 12477 1 19 . 1 1 121 121 THR N N 121 113.419 113.419 112.868 0.551 19522 12478 1 19 . 1 1 121 121 THR C C 121 178.096 178.096 175.226 2.870 19522 12479 1 19 . 1 1 121 121 THR CA C 121 62.041 62.041 63.333 -1.292 19522 12480 1 19 . 1 1 121 121 THR CB C 121 63.994 63.994 67.911 -3.917 19522 12481 1 19 . 1 1 121 121 THR H H 121 7.774 7.774 8.144 -0.370 19522 12482 1 19 . 1 1 122 122 ALA N N 122 121.876 121.876 123.342 -1.466 19522 12483 1 19 . 1 1 122 122 ALA C C 122 177.397 177.397 177.059 0.338 19522 12484 1 19 . 1 1 122 122 ALA CA C 122 52.624 52.624 52.442 0.182 19522 12485 1 19 . 1 1 122 122 ALA CB C 122 18.525 18.525 19.605 -1.079 19522 12486 1 19 . 1 1 122 122 ALA H H 122 7.944 7.944 7.844 0.100 19522 12487 1 19 . 1 1 123 123 TYR N N 123 120.931 120.931 112.015 8.916 19522 12488 1 19 . 1 1 123 123 TYR C C 123 176.060 176.060 176.793 -0.733 19522 12489 1 19 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.581 1.474 19522 12490 1 19 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.096 -1.614 19522 12491 1 19 . 1 1 123 123 TYR H H 123 8.748 8.748 7.684 1.064 19522 12492 1 19 . 1 1 124 124 GLN N N 124 115.002 115.002 121.508 -6.506 19522 12493 1 19 . 1 1 124 124 GLN C C 124 178.098 178.098 178.137 -0.039 19522 12494 1 19 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.120 -0.480 19522 12495 1 19 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.513 -1.997 19522 12496 1 19 . 1 1 124 124 GLN H H 124 8.454 8.454 7.737 0.717 19522 12497 1 19 . 1 1 125 125 SER N N 125 114.135 114.135 115.495 -1.360 19522 12498 1 19 . 1 1 125 125 SER C C 125 179.557 179.557 176.071 3.486 19522 12499 1 19 . 1 1 125 125 SER CA C 125 61.357 61.357 61.356 0.001 19522 12500 1 19 . 1 1 125 125 SER CB C 125 61.357 61.357 62.609 -1.252 19522 12501 1 19 . 1 1 125 125 SER H H 125 7.283 7.283 7.683 -0.400 19522 12502 1 19 . 1 1 126 126 PHE N N 126 113.327 113.327 123.701 -10.374 19522 12503 1 19 . 1 1 126 126 PHE C C 126 174.879 174.879 176.844 -1.965 19522 12504 1 19 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.747 0.370 19522 12505 1 19 . 1 1 126 126 PHE CB C 126 37.703 37.703 38.843 -1.140 19522 12506 1 19 . 1 1 126 126 PHE H H 126 6.606 6.606 8.060 -1.454 19522 12507 1 19 . 1 1 127 127 GLU N N 127 119.398 119.398 119.058 0.340 19522 12508 1 19 . 1 1 127 127 GLU C C 127 176.857 176.857 178.793 -1.936 19522 12509 1 19 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.981 -1.923 19522 12510 1 19 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.243 -0.353 19522 12511 1 19 . 1 1 127 127 GLU H H 127 8.546 8.546 7.801 0.745 19522 12512 1 19 . 1 1 128 128 GLN N N 128 114.754 114.754 119.266 -4.512 19522 12513 1 19 . 1 1 128 128 GLN C C 128 178.356 178.356 178.664 -0.308 19522 12514 1 19 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.480 -0.400 19522 12515 1 19 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.412 -1.417 19522 12516 1 19 . 1 1 128 128 GLN H H 128 7.525 7.525 8.081 -0.556 19522 12517 1 19 . 1 1 129 129 VAL N N 129 118.194 118.194 119.577 -1.383 19522 12518 1 19 . 1 1 129 129 VAL C C 129 177.756 177.756 178.706 -0.950 19522 12519 1 19 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.467 -1.377 19522 12520 1 19 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.348 -1.099 19522 12521 1 19 . 1 1 129 129 VAL H H 129 7.036 7.036 7.998 -0.962 19522 12522 1 19 . 1 1 130 130 VAL N N 130 119.459 119.459 119.735 -0.276 19522 12523 1 19 . 1 1 130 130 VAL C C 130 177.714 177.714 177.635 0.079 19522 12524 1 19 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.021 -0.612 19522 12525 1 19 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.233 -0.761 19522 12526 1 19 . 1 1 130 130 VAL H H 130 7.831 7.831 8.225 -0.394 19522 12527 1 19 . 1 1 131 131 ASN N N 131 117.212 117.212 117.394 -0.182 19522 12528 1 19 . 1 1 131 131 ASN C C 131 178.775 178.775 177.318 1.457 19522 12529 1 19 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.596 -1.952 19522 12530 1 19 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.544 -2.280 19522 12531 1 19 . 1 1 131 131 ASN H H 131 8.374 8.374 8.509 -0.135 19522 12532 1 19 . 1 1 132 132 GLU N N 132 118.393 118.393 119.628 -1.235 19522 12533 1 19 . 1 1 132 132 GLU C C 132 179.097 179.097 178.921 0.176 19522 12534 1 19 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.753 -0.775 19522 12535 1 19 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.400 -2.028 19522 12536 1 19 . 1 1 132 132 GLU H H 132 7.226 7.226 7.563 -0.337 19522 12537 1 19 . 1 1 133 133 LEU N N 133 120.835 120.835 120.171 0.664 19522 12538 1 19 . 1 1 133 133 LEU C C 133 178.016 178.016 177.688 0.328 19522 12539 1 19 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.266 -0.464 19522 12540 1 19 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.600 -1.819 19522 12541 1 19 . 1 1 133 133 LEU H H 133 7.467 7.467 7.409 0.058 19522 12542 1 19 . 1 1 134 134 PHE N N 134 112.847 112.847 117.561 -4.714 19522 12543 1 19 . 1 1 134 134 PHE C C 134 176.258 176.258 176.862 -0.604 19522 12544 1 19 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.672 -3.133 19522 12545 1 19 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.279 -0.416 19522 12546 1 19 . 1 1 134 134 PHE H H 134 6.926 6.926 7.272 -0.346 19522 12547 1 19 . 1 1 135 135 ARG N N 135 123.664 123.664 117.951 5.713 19522 12548 1 19 . 1 1 135 135 ARG C C 135 176.957 176.957 175.666 1.291 19522 12549 1 19 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.278 1.659 19522 12550 1 19 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.116 -2.105 19522 12551 1 19 . 1 1 135 135 ARG H H 135 7.144 7.144 7.494 -0.350 19522 12552 1 19 . 1 1 136 136 ASP N N 136 116.448 116.448 116.147 0.301 19522 12553 1 19 . 1 1 136 136 ASP C C 136 175.339 175.339 176.640 -1.301 19522 12554 1 19 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.714 -1.371 19522 12555 1 19 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.349 -4.751 19522 12556 1 19 . 1 1 136 136 ASP H H 136 8.607 8.607 7.572 1.035 19522 12557 1 19 . 1 1 137 137 GLY N N 137 108.506 108.506 109.650 -1.144 19522 12558 1 19 . 1 1 137 137 GLY C C 137 172.324 172.324 173.924 -1.600 19522 12559 1 19 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.961 -2.166 19522 12560 1 19 . 1 1 137 137 GLY H H 137 7.468 7.468 8.396 -0.928 19522 12561 1 19 . 1 1 138 138 VAL N N 138 120.519 120.519 124.664 -4.145 19522 12562 1 19 . 1 1 138 138 VAL C C 138 174.160 174.160 174.711 -0.551 19522 12563 1 19 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.649 0.244 19522 12564 1 19 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.808 1.000 19522 12565 1 19 . 1 1 138 138 VAL H H 138 8.181 8.181 8.383 -0.202 19522 12566 1 19 . 1 1 139 139 ASN N N 139 115.573 115.573 123.126 -7.553 19522 12567 1 19 . 1 1 139 139 ASN C C 139 174.959 174.959 175.570 -0.611 19522 12568 1 19 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.788 -0.763 19522 12569 1 19 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.253 -1.614 19522 12570 1 19 . 1 1 139 139 ASN H H 139 6.261 6.261 7.562 -1.301 19522 12571 1 19 . 1 1 140 140 TRP N N 140 118.231 118.231 126.847 -8.616 19522 12572 1 19 . 1 1 140 140 TRP C C 140 177.976 177.976 177.695 0.281 19522 12573 1 19 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.813 0.322 19522 12574 1 19 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.138 -0.529 19522 12575 1 19 . 1 1 140 140 TRP H H 140 8.413 8.413 9.102 -0.689 19522 12576 1 19 . 1 1 141 141 GLY N N 141 106.238 106.238 105.975 0.263 19522 12577 1 19 . 1 1 141 141 GLY C C 141 177.297 177.297 175.556 1.741 19522 12578 1 19 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.328 0.143 19522 12579 1 19 . 1 1 141 141 GLY H H 141 8.494 8.494 8.994 -0.500 19522 12580 1 19 . 1 1 142 142 ARG N N 142 121.156 121.156 122.566 -1.410 19522 12581 1 19 . 1 1 142 142 ARG C C 142 177.457 177.457 178.173 -0.716 19522 12582 1 19 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.732 -0.234 19522 12583 1 19 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.146 -0.537 19522 12584 1 19 . 1 1 142 142 ARG H H 142 8.104 8.104 7.702 0.402 19522 12585 1 19 . 1 1 143 143 ILE N N 143 120.888 120.888 120.005 0.883 19522 12586 1 19 . 1 1 143 143 ILE C C 143 177.756 177.756 177.247 0.509 19522 12587 1 19 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.314 1.575 19522 12588 1 19 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.851 -2.248 19522 12589 1 19 . 1 1 143 143 ILE H H 143 7.696 7.696 8.165 -0.469 19522 12590 1 19 . 1 1 144 144 VAL N N 144 120.958 120.958 119.343 1.615 19522 12591 1 19 . 1 1 144 144 VAL C C 144 177.557 177.557 177.671 -0.114 19522 12592 1 19 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.654 0.434 19522 12593 1 19 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.159 -0.070 19522 12594 1 19 . 1 1 144 144 VAL H H 144 8.229 8.229 7.465 0.764 19522 12595 1 19 . 1 1 145 145 ALA N N 145 121.229 121.229 122.778 -1.549 19522 12596 1 19 . 1 1 145 145 ALA C C 145 177.999 177.999 178.940 -0.941 19522 12597 1 19 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.974 -0.912 19522 12598 1 19 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.139 -1.156 19522 12599 1 19 . 1 1 145 145 ALA H H 145 7.579 7.579 7.461 0.118 19522 12600 1 19 . 1 1 146 146 PHE N N 146 119.338 119.338 119.960 -0.622 19522 12601 1 19 . 1 1 146 146 PHE C C 146 179.432 179.432 177.119 2.313 19522 12602 1 19 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.786 -0.617 19522 12603 1 19 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.011 -1.148 19522 12604 1 19 . 1 1 146 146 PHE H H 146 7.985 7.985 8.288 -0.303 19522 12605 1 19 . 1 1 147 147 PHE N N 147 119.900 119.900 117.747 2.153 19522 12606 1 19 . 1 1 147 147 PHE C C 147 177.399 177.399 177.676 -0.277 19522 12607 1 19 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.269 -3.150 19522 12608 1 19 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.316 1.122 19522 12609 1 19 . 1 1 147 147 PHE H H 147 7.824 7.824 8.466 -0.642 19522 12610 1 19 . 1 1 148 148 SER N N 148 114.725 114.725 116.478 -1.753 19522 12611 1 19 . 1 1 148 148 SER C C 148 177.357 177.357 176.286 1.071 19522 12612 1 19 . 1 1 148 148 SER CA C 148 63.115 63.115 62.252 0.863 19522 12613 1 19 . 1 1 148 148 SER CB C 148 61.893 61.893 62.345 -0.452 19522 12614 1 19 . 1 1 148 148 SER H H 148 8.423 8.423 8.103 0.320 19522 12615 1 19 . 1 1 149 149 PHE N N 149 124.361 124.361 121.344 3.017 19522 12616 1 19 . 1 1 149 149 PHE C C 149 176.338 176.338 178.130 -1.792 19522 12617 1 19 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.151 -1.815 19522 12618 1 19 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.346 -1.065 19522 12619 1 19 . 1 1 149 149 PHE H H 149 9.097 9.097 8.345 0.752 19522 12620 1 19 . 1 1 150 150 GLY N N 150 105.935 105.935 106.079 -0.144 19522 12621 1 19 . 1 1 150 150 GLY C C 150 176.398 176.398 176.230 0.168 19522 12622 1 19 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.717 0.313 19522 12623 1 19 . 1 1 150 150 GLY H H 150 7.937 7.937 7.936 0.001 19522 12624 1 19 . 1 1 151 151 GLY N N 151 107.449 107.449 109.854 -2.405 19522 12625 1 19 . 1 1 151 151 GLY C C 151 174.300 174.300 175.567 -1.267 19522 12626 1 19 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.650 0.300 19522 12627 1 19 . 1 1 151 151 GLY H H 151 8.803 8.803 8.450 0.353 19522 12628 1 19 . 1 1 152 152 ALA N N 152 124.384 124.384 124.113 0.271 19522 12629 1 19 . 1 1 152 152 ALA C C 152 177.636 177.636 179.407 -1.771 19522 12630 1 19 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.521 -0.379 19522 12631 1 19 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.472 -1.409 19522 12632 1 19 . 1 1 152 152 ALA H H 152 8.232 8.232 8.179 0.053 19522 12633 1 19 . 1 1 153 153 LEU N N 153 118.871 118.871 119.940 -1.069 19522 12634 1 19 . 1 1 153 153 LEU C C 153 179.937 179.937 178.557 1.380 19522 12635 1 19 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.331 -0.743 19522 12636 1 19 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.651 -0.991 19522 12637 1 19 . 1 1 153 153 LEU H H 153 8.159 8.159 7.766 0.393 19522 12638 1 19 . 1 1 154 154 CYS N N 154 118.554 118.554 117.859 0.695 19522 12639 1 19 . 1 1 154 154 CYS C C 154 177.332 177.332 176.697 0.635 19522 12640 1 19 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.944 -2.648 19522 12641 1 19 . 1 1 154 154 CYS CB C 154 25.237 25.237 27.386 -2.149 19522 12642 1 19 . 1 1 154 154 CYS H H 154 8.049 8.049 8.350 -0.301 19522 12643 1 19 . 1 1 155 155 VAL N N 155 118.474 118.474 121.565 -3.091 19522 12644 1 19 . 1 1 155 155 VAL C C 155 175.723 175.723 178.473 -2.750 19522 12645 1 19 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.682 -0.553 19522 12646 1 19 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.924 -0.196 19522 12647 1 19 . 1 1 155 155 VAL H H 155 8.016 8.016 7.555 0.461 19522 12648 1 19 . 1 1 156 156 GLU N N 156 119.114 119.114 118.084 1.030 19522 12649 1 19 . 1 1 156 156 GLU C C 156 178.036 178.036 178.815 -0.779 19522 12650 1 19 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.378 2.900 19522 12651 1 19 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.975 -1.523 19522 12652 1 19 . 1 1 156 156 GLU H H 156 8.025 8.025 7.943 0.082 19522 12653 1 19 . 1 1 157 157 SER N N 157 113.391 113.391 115.948 -2.557 19522 12654 1 19 . 1 1 157 157 SER C C 157 175.299 175.299 175.912 -0.613 19522 12655 1 19 . 1 1 157 157 SER CA C 157 62.373 62.373 62.079 0.294 19522 12656 1 19 . 1 1 157 157 SER CB C 157 60.854 60.854 63.294 -2.440 19522 12657 1 19 . 1 1 157 157 SER H H 157 7.629 7.629 7.392 0.237 19522 12658 1 19 . 1 1 158 158 VAL N N 158 120.493 120.493 121.623 -1.130 19522 12659 1 19 . 1 1 158 158 VAL C C 158 173.977 173.977 177.350 -3.373 19522 12660 1 19 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.459 1.270 19522 12661 1 19 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.050 -1.442 19522 12662 1 19 . 1 1 158 158 VAL H H 158 7.374 7.374 7.636 -0.262 19522 12663 1 19 . 1 1 159 159 ASP N N 159 123.215 123.215 121.775 1.440 19522 12664 1 19 . 1 1 159 159 ASP C C 159 177.696 177.696 177.464 0.232 19522 12665 1 19 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.632 -0.013 19522 12666 1 19 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.947 -1.029 19522 12667 1 19 . 1 1 159 159 ASP H H 159 8.309 8.309 8.461 -0.152 19522 12668 1 19 . 1 1 160 160 LYS N N 160 115.648 115.648 118.332 -2.684 19522 12669 1 19 . 1 1 160 160 LYS C C 160 174.839 174.839 175.449 -0.610 19522 12670 1 19 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.512 -0.411 19522 12671 1 19 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.800 -2.312 19522 12672 1 19 . 1 1 160 160 LYS H H 160 7.541 7.541 7.442 0.099 19522 12673 1 19 . 1 1 161 161 GLU N N 161 113.911 113.911 118.999 -5.088 19522 12674 1 19 . 1 1 161 161 GLU C C 161 175.781 175.781 176.270 -0.489 19522 12675 1 19 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.061 -1.282 19522 12676 1 19 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.168 -3.114 19522 12677 1 19 . 1 1 161 161 GLU H H 161 7.842 7.842 7.863 -0.021 19522 12678 1 19 . 1 1 162 162 MET N N 162 118.882 118.882 117.801 1.081 19522 12679 1 19 . 1 1 162 162 MET C C 162 176.597 176.597 177.383 -0.786 19522 12680 1 19 . 1 1 162 162 MET CA C 162 52.646 52.646 56.887 -4.241 19522 12681 1 19 . 1 1 162 162 MET CB C 162 30.488 30.488 33.881 -3.393 19522 12682 1 19 . 1 1 162 162 MET H H 162 8.420 8.420 8.684 -0.264 19522 12683 1 19 . 1 1 163 163 GLN N N 163 119.366 119.366 117.686 1.680 19522 12684 1 19 . 1 1 163 163 GLN C C 163 177.397 177.397 176.876 0.521 19522 12685 1 19 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.570 0.606 19522 12686 1 19 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.234 -1.141 19522 12687 1 19 . 1 1 163 163 GLN H H 163 8.615 8.615 8.135 0.480 19522 12688 1 19 . 1 1 164 164 VAL N N 164 116.957 116.957 120.372 -3.415 19522 12689 1 19 . 1 1 164 164 VAL C C 164 175.459 175.459 177.422 -1.963 19522 12690 1 19 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.967 -3.115 19522 12691 1 19 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.382 -1.293 19522 12692 1 19 . 1 1 164 164 VAL H H 164 7.938 7.938 8.034 -0.096 19522 12693 1 19 . 1 1 165 165 LEU N N 165 117.124 117.124 119.158 -2.034 19522 12694 1 19 . 1 1 165 165 LEU C C 165 177.714 177.714 178.384 -0.670 19522 12695 1 19 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.108 -2.425 19522 12696 1 19 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.911 -2.233 19522 12697 1 19 . 1 1 165 165 LEU H H 165 7.741 7.741 7.784 -0.043 19522 12698 1 19 . 1 1 166 166 VAL N N 166 119.434 119.434 118.220 1.214 19522 12699 1 19 . 1 1 166 166 VAL C C 166 176.817 176.817 177.875 -1.058 19522 12700 1 19 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.476 1.372 19522 12701 1 19 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.107 -1.737 19522 12702 1 19 . 1 1 166 166 VAL H H 166 7.342 7.342 7.845 -0.503 19522 12703 1 19 . 1 1 167 167 SER N N 167 110.775 110.775 116.404 -5.629 19522 12704 1 19 . 1 1 167 167 SER C C 167 176.737 176.737 176.897 -0.160 19522 12705 1 19 . 1 1 167 167 SER CA C 167 60.215 60.215 62.180 -1.965 19522 12706 1 19 . 1 1 167 167 SER CB C 167 61.654 61.654 62.711 -1.057 19522 12707 1 19 . 1 1 167 167 SER H H 167 8.099 8.099 8.541 -0.442 19522 12708 1 19 . 1 1 168 168 ARG N N 168 122.916 122.916 120.786 2.130 19522 12709 1 19 . 1 1 168 168 ARG C C 168 175.439 175.439 178.544 -3.105 19522 12710 1 19 . 1 1 168 168 ARG CA C 168 60.615 60.615 58.140 2.475 19522 12711 1 19 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.125 -2.115 19522 12712 1 19 . 1 1 168 168 ARG H H 168 6.596 6.596 8.017 -1.421 19522 12713 1 19 . 1 1 169 169 ILE N N 169 118.335 118.335 120.857 -2.522 19522 12714 1 19 . 1 1 169 169 ILE C C 169 177.779 177.779 177.803 -0.024 19522 12715 1 19 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.461 -1.330 19522 12716 1 19 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.726 -0.765 19522 12717 1 19 . 1 1 169 169 ILE H H 169 7.928 7.928 7.780 0.148 19522 12718 1 19 . 1 1 170 170 ALA N N 170 119.271 119.271 121.273 -2.002 19522 12719 1 19 . 1 1 170 170 ALA C C 170 179.195 179.195 179.299 -0.104 19522 12720 1 19 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.453 -1.551 19522 12721 1 19 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.875 -1.051 19522 12722 1 19 . 1 1 170 170 ALA H H 170 7.672 7.672 8.554 -0.882 19522 12723 1 19 . 1 1 171 171 ALA N N 171 120.393 120.393 121.675 -1.282 19522 12724 1 19 . 1 1 171 171 ALA C C 171 180.833 180.833 179.492 1.341 19522 12725 1 19 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.691 -0.549 19522 12726 1 19 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.935 -1.431 19522 12727 1 19 . 1 1 171 171 ALA H H 171 7.258 7.258 7.426 -0.168 19522 12728 1 19 . 1 1 172 172 TRP N N 172 121.501 121.501 119.066 2.435 19522 12729 1 19 . 1 1 172 172 TRP C C 172 179.350 179.350 178.431 0.919 19522 12730 1 19 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.828 -2.809 19522 12731 1 19 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.666 -1.374 19522 12732 1 19 . 1 1 172 172 TRP H H 172 8.936 8.936 7.978 0.958 19522 12733 1 19 . 1 1 173 173 MET N N 173 117.211 117.211 119.431 -2.220 19522 12734 1 19 . 1 1 173 173 MET C C 173 176.158 176.158 178.180 -2.022 19522 12735 1 19 . 1 1 173 173 MET CA C 173 60.238 60.238 59.332 0.906 19522 12736 1 19 . 1 1 173 173 MET CB C 173 28.833 28.833 32.898 -4.065 19522 12737 1 19 . 1 1 173 173 MET H H 173 8.885 8.885 8.692 0.193 19522 12738 1 19 . 1 1 174 174 ALA N N 174 120.901 120.901 120.741 0.160 19522 12739 1 19 . 1 1 174 174 ALA C C 174 178.875 178.875 179.519 -0.644 19522 12740 1 19 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.474 -0.613 19522 12741 1 19 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.010 -1.323 19522 12742 1 19 . 1 1 174 174 ALA H H 174 8.206 8.206 8.443 -0.237 19522 12743 1 19 . 1 1 175 175 THR N N 175 116.591 116.591 117.346 -0.755 19522 12744 1 19 . 1 1 175 175 THR C C 175 174.782 174.782 176.671 -1.889 19522 12745 1 19 . 1 1 175 175 THR CA C 175 66.209 66.209 66.991 -0.782 19522 12746 1 19 . 1 1 175 175 THR CB C 175 68.046 68.046 68.621 -0.575 19522 12747 1 19 . 1 1 175 175 THR H H 175 8.530 8.530 7.806 0.724 19522 12748 1 19 . 1 1 176 176 TYR N N 176 123.375 123.375 122.921 0.454 19522 12749 1 19 . 1 1 176 176 TYR C C 176 179.255 179.255 177.157 2.098 19522 12750 1 19 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.599 1.774 19522 12751 1 19 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.738 -0.875 19522 12752 1 19 . 1 1 176 176 TYR H H 176 8.822 8.822 8.123 0.699 19522 12753 1 19 . 1 1 177 177 LEU N N 177 119.511 119.511 122.035 -2.524 19522 12754 1 19 . 1 1 177 177 LEU C C 177 177.979 177.979 178.120 -0.141 19522 12755 1 19 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.514 -0.057 19522 12756 1 19 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.794 -0.518 19522 12757 1 19 . 1 1 177 177 LEU H H 177 8.759 8.759 8.681 0.078 19522 12758 1 19 . 1 1 178 178 ASN N N 178 117.233 117.233 116.178 1.055 19522 12759 1 19 . 1 1 178 178 ASN C C 178 176.021 176.021 176.746 -0.725 19522 12760 1 19 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.022 -0.179 19522 12761 1 19 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.431 -0.328 19522 12762 1 19 . 1 1 178 178 ASN H H 178 8.333 8.333 7.959 0.374 19522 12763 1 19 . 1 1 179 179 ASP N N 179 115.264 115.264 119.177 -3.913 19522 12764 1 19 . 1 1 179 179 ASP C C 179 177.557 177.557 177.069 0.488 19522 12765 1 19 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.657 -0.757 19522 12766 1 19 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.444 -2.165 19522 12767 1 19 . 1 1 179 179 ASP H H 179 8.451 8.451 7.810 0.641 19522 12768 1 19 . 1 1 180 180 HIS N N 180 111.728 111.728 115.798 -4.070 19522 12769 1 19 . 1 1 180 180 HIS C C 180 175.479 175.479 176.720 -1.241 19522 12770 1 19 . 1 1 180 180 HIS CA C 180 55.421 55.421 57.039 -1.618 19522 12771 1 19 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.277 -2.668 19522 12772 1 19 . 1 1 180 180 HIS H H 180 8.073 8.073 7.881 0.192 19522 12773 1 19 . 1 1 181 181 LEU N N 181 116.833 116.833 121.645 -4.812 19522 12774 1 19 . 1 1 181 181 LEU C C 181 176.160 176.160 178.560 -2.400 19522 12775 1 19 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.658 -3.637 19522 12776 1 19 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.847 -0.091 19522 12777 1 19 . 1 1 181 181 LEU H H 181 7.183 7.183 7.518 -0.335 19522 12778 1 19 . 1 1 182 182 GLU N N 182 121.364 121.364 118.602 2.762 19522 12779 1 19 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.758 -0.744 19522 12780 1 19 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.558 -1.602 19522 12781 1 19 . 1 1 182 182 GLU H H 182 8.596 8.596 8.812 -0.216 19522 12782 1 19 . 1 1 184 184 TRP N N 184 117.804 117.804 119.653 -1.849 19522 12783 1 19 . 1 1 184 184 TRP C C 184 179.217 179.217 177.520 1.697 19522 12784 1 19 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.618 6.054 19522 12785 1 19 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.153 -1.080 19522 12786 1 19 . 1 1 184 184 TRP H H 184 7.070 7.070 7.419 -0.349 19522 12787 1 19 . 1 1 185 185 ILE N N 185 121.825 121.825 119.547 2.278 19522 12788 1 19 . 1 1 185 185 ILE C C 185 178.655 178.655 178.560 0.095 19522 12789 1 19 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.132 0.140 19522 12790 1 19 . 1 1 185 185 ILE CB C 185 35.945 35.945 38.001 -2.056 19522 12791 1 19 . 1 1 185 185 ILE H H 185 8.396 8.396 8.683 -0.287 19522 12792 1 19 . 1 1 186 186 GLN N N 186 116.489 116.489 116.232 0.257 19522 12793 1 19 . 1 1 186 186 GLN C C 186 179.035 179.035 176.077 2.958 19522 12794 1 19 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.126 0.692 19522 12795 1 19 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.577 -0.764 19522 12796 1 19 . 1 1 186 186 GLN H H 186 8.374 8.374 7.979 0.396 19522 12797 1 19 . 1 1 187 187 GLU N N 187 118.764 118.764 119.350 -0.586 19522 12798 1 19 . 1 1 187 187 GLU C C 187 176.458 176.458 177.287 -0.829 19522 12799 1 19 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.538 0.481 19522 12800 1 19 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.965 -2.554 19522 12801 1 19 . 1 1 187 187 GLU H H 187 7.515 7.515 7.732 -0.217 19522 12802 1 19 . 1 1 188 188 ASN N N 188 116.561 116.561 117.694 -1.133 19522 12803 1 19 . 1 1 188 188 ASN C C 188 173.620 173.620 174.867 -1.247 19522 12804 1 19 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.573 -0.710 19522 12805 1 19 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.436 -2.715 19522 12806 1 19 . 1 1 188 188 ASN H H 188 7.092 7.092 7.925 -0.833 19522 12807 1 19 . 1 1 189 189 GLY N N 189 104.897 104.897 104.685 0.212 19522 12808 1 19 . 1 1 189 189 GLY C C 189 175.658 175.658 172.870 2.788 19522 12809 1 19 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.419 0.373 19522 12810 1 19 . 1 1 189 189 GLY H H 189 7.339 7.339 7.375 -0.036 19522 12811 1 19 . 1 1 190 190 GLY N N 190 108.292 108.292 108.126 0.166 19522 12812 1 19 . 1 1 190 190 GLY C C 190 173.021 173.021 174.891 -1.870 19522 12813 1 19 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.392 -2.038 19522 12814 1 19 . 1 1 190 190 GLY H H 190 8.462 8.462 9.127 -0.665 19522 12815 1 19 . 1 1 191 191 TRP N N 191 118.031 118.031 121.538 -3.507 19522 12816 1 19 . 1 1 191 191 TRP C C 191 178.136 178.136 177.283 0.853 19522 12817 1 19 . 1 1 191 191 TRP CA C 191 59.416 59.416 59.925 -0.509 19522 12818 1 19 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.084 -0.434 19522 12819 1 19 . 1 1 191 191 TRP H H 191 8.673 8.673 8.359 0.314 19522 12820 1 19 . 1 1 192 192 ASP N N 192 117.298 117.298 119.271 -1.973 19522 12821 1 19 . 1 1 192 192 ASP C C 192 179.058 179.058 178.011 1.047 19522 12822 1 19 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.468 0.392 19522 12823 1 19 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.280 -0.001 19522 12824 1 19 . 1 1 192 192 ASP H H 192 8.846 8.846 7.973 0.873 19522 12825 1 19 . 1 1 193 193 THR N N 193 116.061 116.061 112.729 3.332 19522 12826 1 19 . 1 1 193 193 THR C C 193 174.979 174.979 176.302 -1.323 19522 12827 1 19 . 1 1 193 193 THR CA C 193 65.649 65.649 64.751 0.898 19522 12828 1 19 . 1 1 193 193 THR CB C 193 67.327 67.327 68.402 -1.075 19522 12829 1 19 . 1 1 193 193 THR H H 193 7.431 7.431 8.093 -0.662 19522 12830 1 19 . 1 1 194 194 PHE N N 194 121.789 121.789 122.985 -1.196 19522 12831 1 19 . 1 1 194 194 PHE C C 194 176.418 176.418 177.481 -1.063 19522 12832 1 19 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.937 0.077 19522 12833 1 19 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.333 -2.452 19522 12834 1 19 . 1 1 194 194 PHE H H 194 6.527 6.527 7.989 -1.462 19522 12835 1 19 . 1 1 195 195 VAL N N 195 116.988 116.988 119.583 -2.595 19522 12836 1 19 . 1 1 195 195 VAL C C 195 178.078 178.078 177.878 0.200 19522 12837 1 19 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.256 -0.504 19522 12838 1 19 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.594 -0.106 19522 12839 1 19 . 1 1 195 195 VAL H H 195 7.747 7.747 8.353 -0.606 19522 12840 1 19 . 1 1 196 196 GLU N N 196 120.171 120.171 118.981 1.190 19522 12841 1 19 . 1 1 196 196 GLU C C 196 177.976 177.976 178.073 -0.097 19522 12842 1 19 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.345 -1.025 19522 12843 1 19 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.259 -0.586 19522 12844 1 19 . 1 1 196 196 GLU H H 196 7.497 7.497 7.806 -0.309 19522 12845 1 19 . 1 1 197 197 LEU N N 197 117.210 117.210 113.341 3.869 19522 12846 1 19 . 1 1 197 197 LEU C C 197 178.376 178.376 176.645 1.731 19522 12847 1 19 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.067 0.833 19522 12848 1 19 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.813 0.582 19522 12849 1 19 . 1 1 197 197 LEU H H 197 7.626 7.626 7.323 0.303 19522 12850 1 19 . 1 1 198 198 TYR N N 198 115.681 115.681 121.074 -5.393 19522 12851 1 19 . 1 1 198 198 TYR C C 198 176.577 176.577 176.993 -0.416 19522 12852 1 19 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.808 -1.431 19522 12853 1 19 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.850 -2.329 19522 12854 1 19 . 1 1 198 198 TYR H H 198 8.081 8.081 7.623 0.458 19522 12855 1 19 . 1 1 199 199 GLY N N 199 108.201 108.201 106.113 2.088 19522 12856 1 19 . 1 1 199 199 GLY C C 199 173.640 173.640 175.091 -1.451 19522 12857 1 19 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.371 -0.818 19522 12858 1 19 . 1 1 199 199 GLY H H 199 8.032 8.032 8.128 -0.096 19522 12859 1 19 . 1 1 200 200 ASN N N 200 118.385 118.385 118.626 -0.241 19522 12860 1 19 . 1 1 200 200 ASN C C 200 175.081 175.081 174.264 0.817 19522 12861 1 19 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.631 0.153 19522 12862 1 19 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.209 -1.768 19522 12863 1 19 . 1 1 200 200 ASN H H 200 8.300 8.300 8.375 -0.075 19522 12864 1 20 . 1 1 5 5 SER N N 5 116.171 116.171 120.514 -4.343 19522 12865 1 20 . 1 1 5 5 SER C C 5 174.320 174.320 174.396 -0.076 19522 12866 1 20 . 1 1 5 5 SER CA C 5 57.898 57.898 58.923 -1.025 19522 12867 1 20 . 1 1 5 5 SER CB C 5 62.533 62.533 63.619 -1.086 19522 12868 1 20 . 1 1 5 5 SER H H 5 8.224 8.224 8.671 -0.447 19522 12869 1 20 . 1 1 6 6 GLN N N 6 122.369 122.369 119.100 3.269 19522 12870 1 20 . 1 1 6 6 GLN C C 6 176.418 176.418 176.473 -0.055 19522 12871 1 20 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.182 -0.282 19522 12872 1 20 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.720 1.090 19522 12873 1 20 . 1 1 6 6 GLN H H 6 8.337 8.337 8.427 -0.090 19522 12874 1 20 . 1 1 7 7 SER N N 7 116.584 116.584 115.372 1.212 19522 12875 1 20 . 1 1 7 7 SER C C 7 175.859 175.859 176.060 -0.201 19522 12876 1 20 . 1 1 7 7 SER CA C 7 56.260 56.260 61.009 -4.749 19522 12877 1 20 . 1 1 7 7 SER CB C 7 61.916 61.916 62.743 -0.827 19522 12878 1 20 . 1 1 7 7 SER H H 7 8.221 8.221 8.880 -0.659 19522 12879 1 20 . 1 1 8 8 ASN N N 8 119.373 119.373 120.788 -1.415 19522 12880 1 20 . 1 1 8 8 ASN C C 8 177.259 177.259 177.249 0.010 19522 12881 1 20 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.986 -2.779 19522 12882 1 20 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.286 -1.622 19522 12883 1 20 . 1 1 8 8 ASN H H 8 8.375 8.375 7.922 0.453 19522 12884 1 20 . 1 1 9 9 ARG N N 9 119.039 119.039 121.368 -2.329 19522 12885 1 20 . 1 1 9 9 ARG C C 9 176.977 176.977 178.615 -1.638 19522 12886 1 20 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.232 -1.226 19522 12887 1 20 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.181 1.129 19522 12888 1 20 . 1 1 9 9 ARG H H 9 7.815 7.815 8.795 -0.980 19522 12889 1 20 . 1 1 10 10 GLU N N 10 117.158 117.158 119.928 -2.770 19522 12890 1 20 . 1 1 10 10 GLU C C 10 179.475 179.475 179.187 0.288 19522 12891 1 20 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.217 -3.720 19522 12892 1 20 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.138 -0.145 19522 12893 1 20 . 1 1 10 10 GLU H H 10 7.949 7.949 8.375 -0.426 19522 12894 1 20 . 1 1 11 11 LEU N N 11 119.880 119.880 120.522 -0.642 19522 12895 1 20 . 1 1 11 11 LEU C C 11 178.096 178.096 179.023 -0.927 19522 12896 1 20 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.790 -0.589 19522 12897 1 20 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.362 -1.444 19522 12898 1 20 . 1 1 11 11 LEU H H 11 7.807 7.807 7.694 0.113 19522 12899 1 20 . 1 1 12 12 VAL N N 12 117.702 117.702 119.936 -2.234 19522 12900 1 20 . 1 1 12 12 VAL C C 12 176.377 176.377 178.469 -2.092 19522 12901 1 20 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.260 -0.172 19522 12902 1 20 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.260 -0.292 19522 12903 1 20 . 1 1 12 12 VAL H H 12 7.690 7.690 8.195 -0.505 19522 12904 1 20 . 1 1 13 13 VAL N N 13 116.258 116.258 115.837 0.421 19522 12905 1 20 . 1 1 13 13 VAL C C 13 178.416 178.416 177.278 1.138 19522 12906 1 20 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.878 0.034 19522 12907 1 20 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.772 -2.179 19522 12908 1 20 . 1 1 13 13 VAL H H 13 8.225 8.225 7.931 0.294 19522 12909 1 20 . 1 1 14 14 ASP N N 14 120.362 120.362 122.334 -1.972 19522 12910 1 20 . 1 1 14 14 ASP C C 14 177.040 177.040 177.855 -0.815 19522 12911 1 20 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.800 0.178 19522 12912 1 20 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.179 1.079 19522 12913 1 20 . 1 1 14 14 ASP H H 14 7.967 7.967 8.032 -0.065 19522 12914 1 20 . 1 1 15 15 PHE N N 15 119.747 119.747 120.267 -0.520 19522 12915 1 20 . 1 1 15 15 PHE C C 15 177.876 177.876 177.349 0.527 19522 12916 1 20 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.206 1.269 19522 12917 1 20 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.153 -0.571 19522 12918 1 20 . 1 1 15 15 PHE H H 15 8.308 8.308 8.384 -0.076 19522 12919 1 20 . 1 1 16 16 LEU N N 16 116.203 116.203 120.045 -3.842 19522 12920 1 20 . 1 1 16 16 LEU C C 16 175.618 175.618 178.411 -2.793 19522 12921 1 20 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.353 -0.775 19522 12922 1 20 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.814 -1.474 19522 12923 1 20 . 1 1 16 16 LEU H H 16 8.718 8.718 8.038 0.680 19522 12924 1 20 . 1 1 17 17 SER N N 17 113.607 113.607 115.134 -1.527 19522 12925 1 20 . 1 1 17 17 SER C C 17 176.980 176.980 176.452 0.528 19522 12926 1 20 . 1 1 17 17 SER CA C 17 62.150 62.150 62.232 -0.082 19522 12927 1 20 . 1 1 17 17 SER CB C 17 60.854 60.854 62.875 -2.021 19522 12928 1 20 . 1 1 17 17 SER H H 17 8.338 8.338 8.282 0.056 19522 12929 1 20 . 1 1 18 18 TYR N N 18 124.591 124.591 122.632 1.959 19522 12930 1 20 . 1 1 18 18 TYR C C 18 177.996 177.996 177.744 0.252 19522 12931 1 20 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.978 -1.699 19522 12932 1 20 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.331 -1.986 19522 12933 1 20 . 1 1 18 18 TYR H H 18 8.228 8.228 8.160 0.068 19522 12934 1 20 . 1 1 19 19 LYS N N 19 119.761 119.761 119.762 -0.001 19522 12935 1 20 . 1 1 19 19 LYS C C 19 179.841 179.841 178.733 1.108 19522 12936 1 20 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.938 -1.855 19522 12937 1 20 . 1 1 19 19 LYS CB C 19 28.650 28.650 31.904 -3.254 19522 12938 1 20 . 1 1 19 19 LYS H H 19 8.230 8.230 7.461 0.769 19522 12939 1 20 . 1 1 20 20 LEU N N 20 118.077 118.077 118.410 -0.333 19522 12940 1 20 . 1 1 20 20 LEU C C 20 179.654 179.654 176.896 2.758 19522 12941 1 20 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.217 1.761 19522 12942 1 20 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.679 -2.241 19522 12943 1 20 . 1 1 20 20 LEU H H 20 8.534 8.534 7.785 0.749 19522 12944 1 20 . 1 1 21 21 SER N N 21 117.073 117.073 112.396 4.677 19522 12945 1 20 . 1 1 21 21 SER C C 21 178.204 178.204 174.713 3.491 19522 12946 1 20 . 1 1 21 21 SER CA C 21 60.375 60.375 58.752 1.623 19522 12947 1 20 . 1 1 21 21 SER CB C 21 61.836 61.836 62.820 -0.984 19522 12948 1 20 . 1 1 21 21 SER H H 21 8.239 8.239 7.243 0.996 19522 12949 1 20 . 1 1 22 22 GLN N N 22 122.767 122.767 121.287 1.480 19522 12950 1 20 . 1 1 22 22 GLN C C 22 176.997 176.997 175.656 1.341 19522 12951 1 20 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.487 0.091 19522 12952 1 20 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.462 -2.330 19522 12953 1 20 . 1 1 22 22 GLN H H 22 7.632 7.632 7.534 0.098 19522 12954 1 20 . 1 1 23 23 LYS N N 23 116.016 116.016 116.427 -0.411 19522 12955 1 20 . 1 1 23 23 LYS C C 23 175.419 175.419 174.763 0.656 19522 12956 1 20 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.073 -3.130 19522 12957 1 20 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.266 -3.218 19522 12958 1 20 . 1 1 23 23 LYS H H 23 7.167 7.167 8.150 -0.983 19522 12959 1 20 . 1 1 24 24 GLY N N 24 105.329 105.329 108.908 -3.579 19522 12960 1 20 . 1 1 24 24 GLY C C 24 173.680 173.680 172.830 0.850 19522 12961 1 20 . 1 1 24 24 GLY CA C 24 44.313 44.313 45.009 -0.696 19522 12962 1 20 . 1 1 24 24 GLY H H 24 7.504 7.504 7.979 -0.475 19522 12963 1 20 . 1 1 25 25 TYR N N 25 119.528 119.528 116.868 2.660 19522 12964 1 20 . 1 1 25 25 TYR C C 25 174.779 174.779 174.980 -0.201 19522 12965 1 20 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.272 2.489 19522 12966 1 20 . 1 1 25 25 TYR CB C 25 39.301 39.301 37.136 2.165 19522 12967 1 20 . 1 1 25 25 TYR H H 25 7.817 7.817 7.337 0.480 19522 12968 1 20 . 1 1 26 26 SER N N 26 115.815 115.815 122.476 -6.661 19522 12969 1 20 . 1 1 26 26 SER C C 26 173.860 173.860 176.056 -2.196 19522 12970 1 20 . 1 1 26 26 SER CA C 26 56.083 56.083 58.786 -2.703 19522 12971 1 20 . 1 1 26 26 SER CB C 26 63.275 63.275 63.677 -0.402 19522 12972 1 20 . 1 1 26 26 SER H H 26 8.475 8.475 8.095 0.380 19522 12973 1 20 . 1 1 27 27 TRP N N 27 126.476 126.476 121.402 5.074 19522 12974 1 20 . 1 1 27 27 TRP C C 27 174.141 174.141 177.102 -2.961 19522 12975 1 20 . 1 1 27 27 TRP CA C 27 58.400 58.400 57.883 0.517 19522 12976 1 20 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.127 0.083 19522 12977 1 20 . 1 1 27 27 TRP H H 27 8.720 8.720 8.198 0.522 19522 12978 1 20 . 1 1 28 28 SER N N 28 114.011 114.011 114.751 -0.740 19522 12979 1 20 . 1 1 28 28 SER C C 28 172.859 172.859 175.685 -2.826 19522 12980 1 20 . 1 1 28 28 SER CA C 28 66.186 66.186 60.356 5.830 19522 12981 1 20 . 1 1 28 28 SER CB C 28 61.996 61.996 62.246 -0.250 19522 12982 1 20 . 1 1 28 28 SER H H 28 8.034 8.034 7.709 0.325 19522 12983 1 20 . 1 1 29 29 GLN N N 29 120.138 120.138 119.264 0.874 19522 12984 1 20 . 1 1 29 29 GLN C C 29 177.250 177.250 175.916 1.334 19522 12985 1 20 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.233 -2.063 19522 12986 1 20 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.389 -1.050 19522 12987 1 20 . 1 1 29 29 GLN H H 29 7.323 7.323 7.825 -0.502 19522 12988 1 20 . 1 1 30 30 PHE N N 30 113.775 113.775 118.644 -4.869 19522 12989 1 20 . 1 1 30 30 PHE C C 30 176.814 176.814 175.974 0.840 19522 12990 1 20 . 1 1 30 30 PHE CA C 30 56.163 56.163 58.527 -2.364 19522 12991 1 20 . 1 1 30 30 PHE CB C 30 37.840 37.840 40.595 -2.755 19522 12992 1 20 . 1 1 30 30 PHE H H 30 6.778 6.778 8.013 -1.235 19522 12993 1 20 . 1 1 87 87 ALA N N 87 124.732 124.732 124.781 -0.049 19522 12994 1 20 . 1 1 87 87 ALA C C 87 175.941 175.941 176.976 -1.035 19522 12995 1 20 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.402 -2.552 19522 12996 1 20 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.397 -1.831 19522 12997 1 20 . 1 1 87 87 ALA H H 87 8.079 8.079 8.931 -0.852 19522 12998 1 20 . 1 1 88 88 ALA N N 88 121.664 121.664 120.045 1.619 19522 12999 1 20 . 1 1 88 88 ALA C C 88 177.523 177.523 177.732 -0.209 19522 13000 1 20 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.268 3.883 19522 13001 1 20 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.047 0.416 19522 13002 1 20 . 1 1 88 88 ALA H H 88 7.951 7.951 7.643 0.308 19522 13003 1 20 . 1 1 89 89 VAL N N 89 119.415 119.415 118.926 0.489 19522 13004 1 20 . 1 1 89 89 VAL C C 89 176.857 176.857 176.606 0.251 19522 13005 1 20 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.097 -4.261 19522 13006 1 20 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.427 -0.356 19522 13007 1 20 . 1 1 89 89 VAL H H 89 8.161 8.161 8.242 -0.081 19522 13008 1 20 . 1 1 90 90 LYS N N 90 121.221 121.221 119.528 1.693 19522 13009 1 20 . 1 1 90 90 LYS C C 90 175.559 175.559 178.241 -2.682 19522 13010 1 20 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.620 -3.537 19522 13011 1 20 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.720 -2.807 19522 13012 1 20 . 1 1 90 90 LYS H H 90 8.529 8.529 8.365 0.164 19522 13013 1 20 . 1 1 91 91 GLN N N 91 115.879 115.879 118.957 -3.078 19522 13014 1 20 . 1 1 91 91 GLN C C 91 176.950 176.950 178.066 -1.116 19522 13015 1 20 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.715 -0.794 19522 13016 1 20 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.003 -0.768 19522 13017 1 20 . 1 1 91 91 GLN H H 91 7.973 7.973 7.873 0.100 19522 13018 1 20 . 1 1 92 92 ALA N N 92 119.538 119.538 123.194 -3.656 19522 13019 1 20 . 1 1 92 92 ALA C C 92 179.537 179.537 179.833 -0.296 19522 13020 1 20 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.272 -1.026 19522 13021 1 20 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.209 -1.442 19522 13022 1 20 . 1 1 92 92 ALA H H 92 7.661 7.661 8.239 -0.578 19522 13023 1 20 . 1 1 93 93 LEU N N 93 120.236 120.236 118.700 1.536 19522 13024 1 20 . 1 1 93 93 LEU C C 93 179.075 179.075 179.177 -0.102 19522 13025 1 20 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.293 0.494 19522 13026 1 20 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.311 0.246 19522 13027 1 20 . 1 1 93 93 LEU H H 93 8.544 8.544 8.245 0.299 19522 13028 1 20 . 1 1 94 94 ARG N N 94 118.361 118.361 120.399 -2.038 19522 13029 1 20 . 1 1 94 94 ARG C C 94 178.396 178.396 178.590 -0.194 19522 13030 1 20 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.785 -0.049 19522 13031 1 20 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.774 -1.683 19522 13032 1 20 . 1 1 94 94 ARG H H 94 8.057 8.057 7.991 0.066 19522 13033 1 20 . 1 1 95 95 GLU N N 95 115.851 115.851 118.898 -3.047 19522 13034 1 20 . 1 1 95 95 GLU C C 95 179.794 179.794 179.130 0.664 19522 13035 1 20 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.690 -1.473 19522 13036 1 20 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.491 -1.400 19522 13037 1 20 . 1 1 95 95 GLU H H 95 7.737 7.737 8.275 -0.538 19522 13038 1 20 . 1 1 96 96 ALA N N 96 122.958 122.958 121.122 1.836 19522 13039 1 20 . 1 1 96 96 ALA C C 96 181.313 181.313 179.979 1.334 19522 13040 1 20 . 1 1 96 96 ALA CA C 96 54.302 54.302 54.868 -0.566 19522 13041 1 20 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.506 -0.803 19522 13042 1 20 . 1 1 96 96 ALA H H 96 8.824 8.824 7.838 0.986 19522 13043 1 20 . 1 1 97 97 GLY N N 97 108.363 108.363 107.275 1.088 19522 13044 1 20 . 1 1 97 97 GLY C C 97 178.177 178.177 176.258 1.919 19522 13045 1 20 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.376 -1.385 19522 13046 1 20 . 1 1 97 97 GLY H H 97 9.088 9.088 8.441 0.647 19522 13047 1 20 . 1 1 98 98 ASP N N 98 122.197 122.197 122.188 0.009 19522 13048 1 20 . 1 1 98 98 ASP C C 98 178.715 178.715 178.843 -0.128 19522 13049 1 20 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.992 -0.973 19522 13050 1 20 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.926 -2.447 19522 13051 1 20 . 1 1 98 98 ASP H H 98 8.102 8.102 8.423 -0.321 19522 13052 1 20 . 1 1 99 99 GLU N N 99 120.103 120.103 119.302 0.801 19522 13053 1 20 . 1 1 99 99 GLU C C 99 179.513 179.513 179.216 0.297 19522 13054 1 20 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.035 -5.283 19522 13055 1 20 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.572 -1.081 19522 13056 1 20 . 1 1 99 99 GLU H H 99 8.115 8.115 7.812 0.303 19522 13057 1 20 . 1 1 100 100 PHE N N 100 120.218 120.218 119.146 1.072 19522 13058 1 20 . 1 1 100 100 PHE C C 100 178.618 178.618 177.818 0.800 19522 13059 1 20 . 1 1 100 100 PHE CA C 100 57.460 57.460 61.322 -3.862 19522 13060 1 20 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.587 0.749 19522 13061 1 20 . 1 1 100 100 PHE H H 100 8.535 8.535 7.971 0.564 19522 13062 1 20 . 1 1 101 101 GLU N N 101 117.531 117.531 121.329 -3.798 19522 13063 1 20 . 1 1 101 101 GLU C C 101 177.339 177.339 179.078 -1.739 19522 13064 1 20 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.238 -2.637 19522 13065 1 20 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.858 -1.265 19522 13066 1 20 . 1 1 101 101 GLU H H 101 8.032 8.032 8.584 -0.552 19522 13067 1 20 . 1 1 102 102 LEU N N 102 116.641 116.641 116.199 0.442 19522 13068 1 20 . 1 1 102 102 LEU CA C 102 56.588 56.588 58.020 -1.432 19522 13069 1 20 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.613 -0.840 19522 13070 1 20 . 1 1 102 102 LEU H H 102 7.369 7.369 7.866 -0.497 19522 13071 1 20 . 1 1 103 103 ARG N N 103 115.854 115.854 118.694 -2.840 19522 13072 1 20 . 1 1 103 103 ARG C C 103 177.605 177.605 178.151 -0.546 19522 13073 1 20 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.255 0.732 19522 13074 1 20 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.179 -0.029 19522 13075 1 20 . 1 1 103 103 ARG H H 103 7.472 7.472 7.558 -0.086 19522 13076 1 20 . 1 1 104 104 TYR N N 104 119.078 119.078 119.914 -0.836 19522 13077 1 20 . 1 1 104 104 TYR C C 104 174.962 174.962 177.258 -2.296 19522 13078 1 20 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.566 -0.726 19522 13079 1 20 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.835 -2.207 19522 13080 1 20 . 1 1 104 104 TYR H H 104 7.904 7.904 8.133 -0.229 19522 13081 1 20 . 1 1 105 105 ARG N N 105 119.378 119.378 118.099 1.279 19522 13082 1 20 . 1 1 105 105 ARG C C 105 178.395 178.395 176.806 1.589 19522 13083 1 20 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.425 1.496 19522 13084 1 20 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.049 -1.255 19522 13085 1 20 . 1 1 105 105 ARG H H 105 7.195 7.195 8.392 -1.197 19522 13086 1 20 . 1 1 106 106 ARG N N 106 118.875 118.875 119.752 -0.877 19522 13087 1 20 . 1 1 106 106 ARG C C 106 177.257 177.257 176.080 1.177 19522 13088 1 20 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.448 1.467 19522 13089 1 20 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.316 -2.762 19522 13090 1 20 . 1 1 106 106 ARG H H 106 8.452 8.452 7.772 0.680 19522 13091 1 20 . 1 1 107 107 ALA N N 107 121.864 121.864 121.323 0.541 19522 13092 1 20 . 1 1 107 107 ALA C C 107 175.701 175.701 176.632 -0.931 19522 13093 1 20 . 1 1 107 107 ALA CA C 107 54.644 54.644 53.920 0.723 19522 13094 1 20 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.796 0.267 19522 13095 1 20 . 1 1 107 107 ALA H H 107 7.839 7.839 7.970 -0.131 19522 13096 1 20 . 1 1 108 108 PHE N N 108 121.984 121.984 117.667 4.317 19522 13097 1 20 . 1 1 108 108 PHE C C 108 174.982 174.982 175.331 -0.349 19522 13098 1 20 . 1 1 108 108 PHE CA C 108 57.042 57.042 56.379 0.663 19522 13099 1 20 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.990 0.848 19522 13100 1 20 . 1 1 108 108 PHE H H 108 8.392 8.392 8.190 0.202 19522 13101 1 20 . 1 1 109 109 SER N N 109 114.585 114.585 117.756 -3.171 19522 13102 1 20 . 1 1 109 109 SER C C 109 175.421 175.421 174.579 0.842 19522 13103 1 20 . 1 1 109 109 SER CA C 109 55.044 55.044 57.626 -2.582 19522 13104 1 20 . 1 1 109 109 SER CB C 109 63.241 63.241 64.432 -1.191 19522 13105 1 20 . 1 1 109 109 SER H H 109 7.810 7.810 7.659 0.151 19522 13106 1 20 . 1 1 110 110 ASP N N 110 119.725 119.725 121.748 -2.023 19522 13107 1 20 . 1 1 110 110 ASP C C 110 178.196 178.196 178.320 -0.124 19522 13108 1 20 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.047 -1.067 19522 13109 1 20 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.526 -2.686 19522 13110 1 20 . 1 1 110 110 ASP H H 110 8.380 8.380 8.642 -0.262 19522 13111 1 20 . 1 1 111 111 LEU N N 111 120.827 120.827 120.323 0.504 19522 13112 1 20 . 1 1 111 111 LEU C C 111 178.804 178.804 178.406 0.398 19522 13113 1 20 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.468 -1.369 19522 13114 1 20 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.958 -1.161 19522 13115 1 20 . 1 1 111 111 LEU H H 111 7.783 7.783 8.318 -0.535 19522 13116 1 20 . 1 1 112 112 THR N N 112 109.101 109.101 111.968 -2.867 19522 13117 1 20 . 1 1 112 112 THR C C 112 177.157 177.157 177.698 -0.541 19522 13118 1 20 . 1 1 112 112 THR CA C 112 64.690 64.690 66.022 -1.332 19522 13119 1 20 . 1 1 112 112 THR CB C 112 67.407 67.407 68.356 -0.949 19522 13120 1 20 . 1 1 112 112 THR H H 112 8.331 8.331 8.098 0.233 19522 13121 1 20 . 1 1 113 113 SER N N 113 115.811 115.811 118.113 -2.302 19522 13122 1 20 . 1 1 113 113 SER C C 113 175.319 175.319 176.125 -0.806 19522 13123 1 20 . 1 1 113 113 SER CA C 113 59.736 59.736 61.206 -1.470 19522 13124 1 20 . 1 1 113 113 SER CB C 113 62.213 62.213 62.891 -0.678 19522 13125 1 20 . 1 1 113 113 SER H H 113 7.645 7.645 7.780 -0.135 19522 13126 1 20 . 1 1 114 114 GLN N N 114 118.421 118.421 122.111 -3.690 19522 13127 1 20 . 1 1 114 114 GLN C C 114 175.978 175.978 177.655 -1.677 19522 13128 1 20 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.246 -1.787 19522 13129 1 20 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.584 -0.574 19522 13130 1 20 . 1 1 114 114 GLN H H 114 7.614 7.614 8.278 -0.664 19522 13131 1 20 . 1 1 115 115 LEU N N 115 118.236 118.236 118.014 0.222 19522 13132 1 20 . 1 1 115 115 LEU C C 115 176.198 176.198 177.335 -1.137 19522 13133 1 20 . 1 1 115 115 LEU CA C 115 54.804 54.804 56.102 -1.298 19522 13134 1 20 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.686 -0.131 19522 13135 1 20 . 1 1 115 115 LEU H H 115 7.383 7.383 8.024 -0.641 19522 13136 1 20 . 1 1 116 116 HIS N N 116 119.694 119.694 116.828 2.866 19522 13137 1 20 . 1 1 116 116 HIS C C 116 174.122 174.122 174.257 -0.135 19522 13138 1 20 . 1 1 116 116 HIS CA C 116 56.379 56.379 56.757 -0.378 19522 13139 1 20 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.345 -1.093 19522 13140 1 20 . 1 1 116 116 HIS H H 116 8.158 8.158 8.047 0.111 19522 13141 1 20 . 1 1 117 117 ILE N N 117 122.347 122.347 114.422 7.925 19522 13142 1 20 . 1 1 117 117 ILE C C 117 176.377 176.377 175.225 1.152 19522 13143 1 20 . 1 1 117 117 ILE CA C 117 60.717 60.717 62.004 -1.287 19522 13144 1 20 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.647 1.577 19522 13145 1 20 . 1 1 117 117 ILE H H 117 8.658 8.658 8.125 0.533 19522 13146 1 20 . 1 1 118 118 THR N N 118 115.798 115.798 118.899 -3.101 19522 13147 1 20 . 1 1 118 118 THR CA C 118 57.921 57.921 59.779 -1.859 19522 13148 1 20 . 1 1 118 118 THR CB C 118 63.434 63.434 68.767 -5.333 19522 13149 1 20 . 1 1 118 118 THR H H 118 8.227 8.227 8.091 0.137 19522 13150 1 20 . 1 1 120 120 GLY N N 120 109.574 109.574 108.333 1.241 19522 13151 1 20 . 1 1 120 120 GLY C C 120 180.495 180.495 173.647 6.848 19522 13152 1 20 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.745 -1.353 19522 13153 1 20 . 1 1 120 120 GLY H H 120 8.429 8.429 8.156 0.273 19522 13154 1 20 . 1 1 121 121 THR N N 121 113.419 113.419 114.688 -1.269 19522 13155 1 20 . 1 1 121 121 THR C C 121 178.096 178.096 173.832 4.264 19522 13156 1 20 . 1 1 121 121 THR CA C 121 62.041 62.041 61.674 0.367 19522 13157 1 20 . 1 1 121 121 THR CB C 121 63.994 63.994 66.759 -2.765 19522 13158 1 20 . 1 1 121 121 THR H H 121 7.774 7.774 8.306 -0.532 19522 13159 1 20 . 1 1 122 122 ALA N N 122 121.876 121.876 125.715 -3.839 19522 13160 1 20 . 1 1 122 122 ALA C C 122 177.397 177.397 176.852 0.545 19522 13161 1 20 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.692 -1.068 19522 13162 1 20 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.865 -2.340 19522 13163 1 20 . 1 1 122 122 ALA H H 122 7.944 7.944 8.448 -0.504 19522 13164 1 20 . 1 1 123 123 TYR N N 123 120.931 120.931 115.972 4.959 19522 13165 1 20 . 1 1 123 123 TYR C C 123 176.060 176.060 177.231 -1.171 19522 13166 1 20 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.660 1.395 19522 13167 1 20 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.565 -2.083 19522 13168 1 20 . 1 1 123 123 TYR H H 123 8.748 8.748 7.811 0.937 19522 13169 1 20 . 1 1 124 124 GLN N N 124 115.002 115.002 121.325 -6.323 19522 13170 1 20 . 1 1 124 124 GLN C C 124 178.098 178.098 178.337 -0.239 19522 13171 1 20 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.058 -0.418 19522 13172 1 20 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.449 -1.933 19522 13173 1 20 . 1 1 124 124 GLN H H 124 8.454 8.454 7.283 1.171 19522 13174 1 20 . 1 1 125 125 SER N N 125 114.135 114.135 115.485 -1.350 19522 13175 1 20 . 1 1 125 125 SER C C 125 179.557 179.557 176.159 3.398 19522 13176 1 20 . 1 1 125 125 SER CA C 125 61.357 61.357 61.555 -0.198 19522 13177 1 20 . 1 1 125 125 SER CB C 125 61.357 61.357 62.797 -1.440 19522 13178 1 20 . 1 1 125 125 SER H H 125 7.283 7.283 7.603 -0.320 19522 13179 1 20 . 1 1 126 126 PHE N N 126 113.327 113.327 123.555 -10.228 19522 13180 1 20 . 1 1 126 126 PHE C C 126 174.879 174.879 176.828 -1.949 19522 13181 1 20 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.845 0.272 19522 13182 1 20 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.115 -1.412 19522 13183 1 20 . 1 1 126 126 PHE H H 126 6.606 6.606 8.024 -1.418 19522 13184 1 20 . 1 1 127 127 GLU N N 127 119.398 119.398 118.877 0.521 19522 13185 1 20 . 1 1 127 127 GLU C C 127 176.857 176.857 178.942 -2.085 19522 13186 1 20 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.627 -1.569 19522 13187 1 20 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.070 -0.180 19522 13188 1 20 . 1 1 127 127 GLU H H 127 8.546 8.546 7.972 0.574 19522 13189 1 20 . 1 1 128 128 GLN N N 128 114.754 114.754 119.289 -4.535 19522 13190 1 20 . 1 1 128 128 GLN C C 128 178.356 178.356 178.701 -0.345 19522 13191 1 20 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.702 -0.622 19522 13192 1 20 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.446 -1.451 19522 13193 1 20 . 1 1 128 128 GLN H H 128 7.525 7.525 8.075 -0.550 19522 13194 1 20 . 1 1 129 129 VAL N N 129 118.194 118.194 119.247 -1.053 19522 13195 1 20 . 1 1 129 129 VAL C C 129 177.756 177.756 178.668 -0.912 19522 13196 1 20 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.156 -1.066 19522 13197 1 20 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.504 -1.255 19522 13198 1 20 . 1 1 129 129 VAL H H 129 7.036 7.036 7.590 -0.554 19522 13199 1 20 . 1 1 130 130 VAL N N 130 119.459 119.459 120.062 -0.603 19522 13200 1 20 . 1 1 130 130 VAL C C 130 177.714 177.714 177.593 0.121 19522 13201 1 20 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.117 -0.708 19522 13202 1 20 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.272 -0.800 19522 13203 1 20 . 1 1 130 130 VAL H H 130 7.831 7.831 8.161 -0.330 19522 13204 1 20 . 1 1 131 131 ASN N N 131 117.212 117.212 117.165 0.047 19522 13205 1 20 . 1 1 131 131 ASN C C 131 178.775 178.775 177.228 1.547 19522 13206 1 20 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.496 -1.852 19522 13207 1 20 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.591 -2.326 19522 13208 1 20 . 1 1 131 131 ASN H H 131 8.374 8.374 8.579 -0.205 19522 13209 1 20 . 1 1 132 132 GLU N N 132 118.393 118.393 119.653 -1.260 19522 13210 1 20 . 1 1 132 132 GLU C C 132 179.097 179.097 178.762 0.335 19522 13211 1 20 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.791 -0.813 19522 13212 1 20 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.314 -1.942 19522 13213 1 20 . 1 1 132 132 GLU H H 132 7.226 7.226 7.523 -0.297 19522 13214 1 20 . 1 1 133 133 LEU N N 133 120.835 120.835 119.771 1.064 19522 13215 1 20 . 1 1 133 133 LEU C C 133 178.016 178.016 177.760 0.256 19522 13216 1 20 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.403 -0.601 19522 13217 1 20 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.717 -1.936 19522 13218 1 20 . 1 1 133 133 LEU H H 133 7.467 7.467 7.299 0.168 19522 13219 1 20 . 1 1 134 134 PHE N N 134 112.847 112.847 117.592 -4.745 19522 13220 1 20 . 1 1 134 134 PHE C C 134 176.258 176.258 177.461 -1.203 19522 13221 1 20 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.517 -2.978 19522 13222 1 20 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.066 -0.203 19522 13223 1 20 . 1 1 134 134 PHE H H 134 6.926 6.926 7.185 -0.259 19522 13224 1 20 . 1 1 135 135 ARG N N 135 123.664 123.664 117.576 6.088 19522 13225 1 20 . 1 1 135 135 ARG C C 135 176.957 176.957 176.430 0.527 19522 13226 1 20 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.805 1.132 19522 13227 1 20 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.443 -2.432 19522 13228 1 20 . 1 1 135 135 ARG H H 135 7.144 7.144 7.802 -0.658 19522 13229 1 20 . 1 1 136 136 ASP N N 136 116.448 116.448 116.405 0.043 19522 13230 1 20 . 1 1 136 136 ASP C C 136 175.339 175.339 176.793 -1.454 19522 13231 1 20 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.307 -0.964 19522 13232 1 20 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.697 -5.099 19522 13233 1 20 . 1 1 136 136 ASP H H 136 8.607 8.607 7.606 1.001 19522 13234 1 20 . 1 1 137 137 GLY N N 137 108.506 108.506 109.018 -0.512 19522 13235 1 20 . 1 1 137 137 GLY C C 137 172.324 172.324 173.673 -1.349 19522 13236 1 20 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.608 -1.813 19522 13237 1 20 . 1 1 137 137 GLY H H 137 7.468 7.468 8.330 -0.862 19522 13238 1 20 . 1 1 138 138 VAL N N 138 120.519 120.519 122.836 -2.317 19522 13239 1 20 . 1 1 138 138 VAL C C 138 174.160 174.160 174.940 -0.780 19522 13240 1 20 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.584 0.309 19522 13241 1 20 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.455 1.353 19522 13242 1 20 . 1 1 138 138 VAL H H 138 8.181 8.181 8.432 -0.251 19522 13243 1 20 . 1 1 139 139 ASN N N 139 115.573 115.573 121.971 -6.398 19522 13244 1 20 . 1 1 139 139 ASN C C 139 174.959 174.959 175.676 -0.717 19522 13245 1 20 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.128 -0.103 19522 13246 1 20 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.350 -1.711 19522 13247 1 20 . 1 1 139 139 ASN H H 139 6.261 6.261 7.802 -1.541 19522 13248 1 20 . 1 1 140 140 TRP N N 140 118.231 118.231 126.989 -8.758 19522 13249 1 20 . 1 1 140 140 TRP C C 140 177.976 177.976 177.867 0.109 19522 13250 1 20 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.760 0.376 19522 13251 1 20 . 1 1 140 140 TRP CB C 140 29.609 29.609 29.846 -0.237 19522 13252 1 20 . 1 1 140 140 TRP H H 140 8.413 8.413 8.687 -0.274 19522 13253 1 20 . 1 1 141 141 GLY N N 141 106.238 106.238 105.807 0.431 19522 13254 1 20 . 1 1 141 141 GLY C C 141 177.297 177.297 175.809 1.488 19522 13255 1 20 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.667 -0.196 19522 13256 1 20 . 1 1 141 141 GLY H H 141 8.494 8.494 8.806 -0.312 19522 13257 1 20 . 1 1 142 142 ARG N N 142 121.156 121.156 121.482 -0.326 19522 13258 1 20 . 1 1 142 142 ARG C C 142 177.457 177.457 178.013 -0.556 19522 13259 1 20 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.599 -0.101 19522 13260 1 20 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.099 -0.491 19522 13261 1 20 . 1 1 142 142 ARG H H 142 8.104 8.104 7.542 0.562 19522 13262 1 20 . 1 1 143 143 ILE N N 143 120.888 120.888 120.636 0.252 19522 13263 1 20 . 1 1 143 143 ILE C C 143 177.756 177.756 177.367 0.389 19522 13264 1 20 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.324 1.565 19522 13265 1 20 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.934 -2.331 19522 13266 1 20 . 1 1 143 143 ILE H H 143 7.696 7.696 8.191 -0.495 19522 13267 1 20 . 1 1 144 144 VAL N N 144 120.958 120.958 119.244 1.714 19522 13268 1 20 . 1 1 144 144 VAL C C 144 177.557 177.557 177.621 -0.064 19522 13269 1 20 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.815 0.273 19522 13270 1 20 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.061 0.029 19522 13271 1 20 . 1 1 144 144 VAL H H 144 8.229 8.229 7.506 0.723 19522 13272 1 20 . 1 1 145 145 ALA N N 145 121.229 121.229 122.706 -1.477 19522 13273 1 20 . 1 1 145 145 ALA C C 145 177.999 177.999 179.036 -1.037 19522 13274 1 20 . 1 1 145 145 ALA CA C 145 54.062 54.062 55.026 -0.964 19522 13275 1 20 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.241 -1.258 19522 13276 1 20 . 1 1 145 145 ALA H H 145 7.579 7.579 7.498 0.081 19522 13277 1 20 . 1 1 146 146 PHE N N 146 119.338 119.338 120.090 -0.752 19522 13278 1 20 . 1 1 146 146 PHE C C 146 179.432 179.432 177.114 2.318 19522 13279 1 20 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.730 -0.561 19522 13280 1 20 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.000 -1.137 19522 13281 1 20 . 1 1 146 146 PHE H H 146 7.985 7.985 8.272 -0.287 19522 13282 1 20 . 1 1 147 147 PHE N N 147 119.900 119.900 117.520 2.380 19522 13283 1 20 . 1 1 147 147 PHE C C 147 177.399 177.399 177.755 -0.356 19522 13284 1 20 . 1 1 147 147 PHE CA C 147 59.119 59.119 62.033 -2.914 19522 13285 1 20 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.420 1.018 19522 13286 1 20 . 1 1 147 147 PHE H H 147 7.824 7.824 8.409 -0.585 19522 13287 1 20 . 1 1 148 148 SER N N 148 114.725 114.725 116.659 -1.934 19522 13288 1 20 . 1 1 148 148 SER C C 148 177.357 177.357 176.147 1.210 19522 13289 1 20 . 1 1 148 148 SER CA C 148 63.115 63.115 62.108 1.007 19522 13290 1 20 . 1 1 148 148 SER CB C 148 61.893 61.893 62.318 -0.425 19522 13291 1 20 . 1 1 148 148 SER H H 148 8.423 8.423 7.907 0.516 19522 13292 1 20 . 1 1 149 149 PHE N N 149 124.361 124.361 121.435 2.926 19522 13293 1 20 . 1 1 149 149 PHE C C 149 176.338 176.338 178.040 -1.702 19522 13294 1 20 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.467 -2.131 19522 13295 1 20 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.460 -1.179 19522 13296 1 20 . 1 1 149 149 PHE H H 149 9.097 9.097 8.238 0.859 19522 13297 1 20 . 1 1 150 150 GLY N N 150 105.935 105.935 105.823 0.112 19522 13298 1 20 . 1 1 150 150 GLY C C 150 176.398 176.398 176.122 0.276 19522 13299 1 20 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.643 0.387 19522 13300 1 20 . 1 1 150 150 GLY H H 150 7.937 7.937 7.902 0.035 19522 13301 1 20 . 1 1 151 151 GLY N N 151 107.449 107.449 110.220 -2.771 19522 13302 1 20 . 1 1 151 151 GLY C C 151 174.300 174.300 175.955 -1.655 19522 13303 1 20 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.738 0.212 19522 13304 1 20 . 1 1 151 151 GLY H H 151 8.803 8.803 8.303 0.500 19522 13305 1 20 . 1 1 152 152 ALA N N 152 124.384 124.384 124.876 -0.492 19522 13306 1 20 . 1 1 152 152 ALA C C 152 177.636 177.636 179.260 -1.624 19522 13307 1 20 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.643 -0.501 19522 13308 1 20 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.390 -1.327 19522 13309 1 20 . 1 1 152 152 ALA H H 152 8.232 8.232 7.937 0.295 19522 13310 1 20 . 1 1 153 153 LEU N N 153 118.871 118.871 120.154 -1.283 19522 13311 1 20 . 1 1 153 153 LEU C C 153 179.937 179.937 178.681 1.256 19522 13312 1 20 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.768 -1.180 19522 13313 1 20 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.749 -1.089 19522 13314 1 20 . 1 1 153 153 LEU H H 153 8.159 8.159 7.818 0.341 19522 13315 1 20 . 1 1 154 154 CYS N N 154 118.554 118.554 118.709 -0.155 19522 13316 1 20 . 1 1 154 154 CYS C C 154 177.332 177.332 176.957 0.375 19522 13317 1 20 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.714 -2.418 19522 13318 1 20 . 1 1 154 154 CYS CB C 154 25.237 25.237 25.963 -0.726 19522 13319 1 20 . 1 1 154 154 CYS H H 154 8.049 8.049 8.548 -0.499 19522 13320 1 20 . 1 1 155 155 VAL N N 155 118.474 118.474 122.164 -3.690 19522 13321 1 20 . 1 1 155 155 VAL C C 155 175.723 175.723 178.431 -2.708 19522 13322 1 20 . 1 1 155 155 VAL CA C 155 66.129 66.129 67.106 -0.977 19522 13323 1 20 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.838 -0.110 19522 13324 1 20 . 1 1 155 155 VAL H H 155 8.016 8.016 7.468 0.548 19522 13325 1 20 . 1 1 156 156 GLU N N 156 119.114 119.114 118.517 0.597 19522 13326 1 20 . 1 1 156 156 GLU C C 156 178.036 178.036 179.072 -1.036 19522 13327 1 20 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.266 3.012 19522 13328 1 20 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.923 -1.471 19522 13329 1 20 . 1 1 156 156 GLU H H 156 8.025 8.025 7.909 0.116 19522 13330 1 20 . 1 1 157 157 SER N N 157 113.391 113.391 116.288 -2.897 19522 13331 1 20 . 1 1 157 157 SER C C 157 175.299 175.299 176.190 -0.891 19522 13332 1 20 . 1 1 157 157 SER CA C 157 62.373 62.373 62.237 0.136 19522 13333 1 20 . 1 1 157 157 SER CB C 157 60.854 60.854 63.233 -2.379 19522 13334 1 20 . 1 1 157 157 SER H H 157 7.629 7.629 7.961 -0.332 19522 13335 1 20 . 1 1 158 158 VAL N N 158 120.493 120.493 120.987 -0.494 19522 13336 1 20 . 1 1 158 158 VAL C C 158 173.977 173.977 177.430 -3.453 19522 13337 1 20 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.281 1.448 19522 13338 1 20 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.148 -1.539 19522 13339 1 20 . 1 1 158 158 VAL H H 158 7.374 7.374 7.496 -0.122 19522 13340 1 20 . 1 1 159 159 ASP N N 159 123.215 123.215 121.876 1.339 19522 13341 1 20 . 1 1 159 159 ASP C C 159 177.696 177.696 177.604 0.092 19522 13342 1 20 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.650 -0.031 19522 13343 1 20 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.962 -1.044 19522 13344 1 20 . 1 1 159 159 ASP H H 159 8.309 8.309 8.448 -0.139 19522 13345 1 20 . 1 1 160 160 LYS N N 160 115.648 115.648 118.133 -2.485 19522 13346 1 20 . 1 1 160 160 LYS C C 160 174.839 174.839 175.523 -0.684 19522 13347 1 20 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.918 -0.817 19522 13348 1 20 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.985 -2.497 19522 13349 1 20 . 1 1 160 160 LYS H H 160 7.541 7.541 7.443 0.098 19522 13350 1 20 . 1 1 161 161 GLU N N 161 113.911 113.911 117.157 -3.246 19522 13351 1 20 . 1 1 161 161 GLU C C 161 175.781 175.781 176.578 -0.797 19522 13352 1 20 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.165 -1.386 19522 13353 1 20 . 1 1 161 161 GLU CB C 161 25.054 25.054 27.699 -2.645 19522 13354 1 20 . 1 1 161 161 GLU H H 161 7.842 7.842 8.041 -0.199 19522 13355 1 20 . 1 1 162 162 MET N N 162 118.882 118.882 116.389 2.493 19522 13356 1 20 . 1 1 162 162 MET C C 162 176.597 176.597 177.444 -0.847 19522 13357 1 20 . 1 1 162 162 MET CA C 162 52.646 52.646 57.572 -4.926 19522 13358 1 20 . 1 1 162 162 MET CB C 162 30.488 30.488 33.881 -3.393 19522 13359 1 20 . 1 1 162 162 MET H H 162 8.420 8.420 8.274 0.146 19522 13360 1 20 . 1 1 163 163 GLN N N 163 119.366 119.366 117.485 1.881 19522 13361 1 20 . 1 1 163 163 GLN C C 163 177.397 177.397 176.932 0.465 19522 13362 1 20 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.760 0.416 19522 13363 1 20 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.392 -1.299 19522 13364 1 20 . 1 1 163 163 GLN H H 163 8.615 8.615 8.140 0.475 19522 13365 1 20 . 1 1 164 164 VAL N N 164 116.957 116.957 120.599 -3.642 19522 13366 1 20 . 1 1 164 164 VAL C C 164 175.459 175.459 177.597 -2.138 19522 13367 1 20 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.911 -3.059 19522 13368 1 20 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.411 -1.322 19522 13369 1 20 . 1 1 164 164 VAL H H 164 7.938 7.938 8.122 -0.184 19522 13370 1 20 . 1 1 165 165 LEU N N 165 117.124 117.124 119.318 -2.194 19522 13371 1 20 . 1 1 165 165 LEU C C 165 177.714 177.714 178.469 -0.755 19522 13372 1 20 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.069 -2.386 19522 13373 1 20 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.814 -2.136 19522 13374 1 20 . 1 1 165 165 LEU H H 165 7.741 7.741 7.742 -0.001 19522 13375 1 20 . 1 1 166 166 VAL N N 166 119.434 119.434 118.163 1.271 19522 13376 1 20 . 1 1 166 166 VAL C C 166 176.817 176.817 178.184 -1.367 19522 13377 1 20 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.484 1.365 19522 13378 1 20 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.117 -1.747 19522 13379 1 20 . 1 1 166 166 VAL H H 166 7.342 7.342 7.993 -0.651 19522 13380 1 20 . 1 1 167 167 SER N N 167 110.775 110.775 115.711 -4.936 19522 13381 1 20 . 1 1 167 167 SER C C 167 176.737 176.737 175.977 0.760 19522 13382 1 20 . 1 1 167 167 SER CA C 167 60.215 60.215 61.584 -1.369 19522 13383 1 20 . 1 1 167 167 SER CB C 167 61.654 61.654 62.801 -1.147 19522 13384 1 20 . 1 1 167 167 SER H H 167 8.099 8.099 8.766 -0.667 19522 13385 1 20 . 1 1 168 168 ARG N N 168 122.916 122.916 119.469 3.447 19522 13386 1 20 . 1 1 168 168 ARG C C 168 175.439 175.439 177.408 -1.969 19522 13387 1 20 . 1 1 168 168 ARG CA C 168 60.615 60.615 56.590 4.026 19522 13388 1 20 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.627 -2.616 19522 13389 1 20 . 1 1 168 168 ARG H H 168 6.596 6.596 7.429 -0.833 19522 13390 1 20 . 1 1 169 169 ILE N N 169 118.335 118.335 121.038 -2.703 19522 13391 1 20 . 1 1 169 169 ILE C C 169 177.779 177.779 177.691 0.088 19522 13392 1 20 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.747 -1.616 19522 13393 1 20 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.715 -0.754 19522 13394 1 20 . 1 1 169 169 ILE H H 169 7.928 7.928 8.046 -0.118 19522 13395 1 20 . 1 1 170 170 ALA N N 170 119.271 119.271 121.126 -1.855 19522 13396 1 20 . 1 1 170 170 ALA C C 170 179.195 179.195 179.083 0.112 19522 13397 1 20 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.519 -1.617 19522 13398 1 20 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.867 -1.044 19522 13399 1 20 . 1 1 170 170 ALA H H 170 7.672 7.672 7.923 -0.251 19522 13400 1 20 . 1 1 171 171 ALA N N 171 120.393 120.393 121.989 -1.596 19522 13401 1 20 . 1 1 171 171 ALA C C 171 180.833 180.833 179.659 1.174 19522 13402 1 20 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.548 -0.406 19522 13403 1 20 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.730 -1.226 19522 13404 1 20 . 1 1 171 171 ALA H H 171 7.258 7.258 7.586 -0.328 19522 13405 1 20 . 1 1 172 172 TRP N N 172 121.501 121.501 118.561 2.940 19522 13406 1 20 . 1 1 172 172 TRP C C 172 179.350 179.350 178.608 0.742 19522 13407 1 20 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.006 -1.987 19522 13408 1 20 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.725 -1.433 19522 13409 1 20 . 1 1 172 172 TRP H H 172 8.936 8.936 7.541 1.395 19522 13410 1 20 . 1 1 173 173 MET N N 173 117.211 117.211 119.931 -2.720 19522 13411 1 20 . 1 1 173 173 MET C C 173 176.158 176.158 178.283 -2.125 19522 13412 1 20 . 1 1 173 173 MET CA C 173 60.238 60.238 59.310 0.928 19522 13413 1 20 . 1 1 173 173 MET CB C 173 28.833 28.833 32.960 -4.127 19522 13414 1 20 . 1 1 173 173 MET H H 173 8.885 8.885 8.658 0.227 19522 13415 1 20 . 1 1 174 174 ALA N N 174 120.901 120.901 120.379 0.522 19522 13416 1 20 . 1 1 174 174 ALA C C 174 178.875 178.875 179.619 -0.744 19522 13417 1 20 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.380 -0.519 19522 13418 1 20 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.093 -1.407 19522 13419 1 20 . 1 1 174 174 ALA H H 174 8.206 8.206 8.281 -0.075 19522 13420 1 20 . 1 1 175 175 THR N N 175 116.591 116.591 117.001 -0.410 19522 13421 1 20 . 1 1 175 175 THR C C 175 174.782 174.782 176.704 -1.922 19522 13422 1 20 . 1 1 175 175 THR CA C 175 66.209 66.209 66.827 -0.618 19522 13423 1 20 . 1 1 175 175 THR CB C 175 68.046 68.046 68.778 -0.732 19522 13424 1 20 . 1 1 175 175 THR H H 175 8.530 8.530 7.732 0.798 19522 13425 1 20 . 1 1 176 176 TYR N N 176 123.375 123.375 122.972 0.403 19522 13426 1 20 . 1 1 176 176 TYR C C 176 179.255 179.255 177.054 2.201 19522 13427 1 20 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.352 2.021 19522 13428 1 20 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.812 -0.949 19522 13429 1 20 . 1 1 176 176 TYR H H 176 8.822 8.822 8.364 0.458 19522 13430 1 20 . 1 1 177 177 LEU N N 177 119.511 119.511 121.957 -2.446 19522 13431 1 20 . 1 1 177 177 LEU C C 177 177.979 177.979 178.314 -0.335 19522 13432 1 20 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.569 -0.112 19522 13433 1 20 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.745 -0.469 19522 13434 1 20 . 1 1 177 177 LEU H H 177 8.759 8.759 8.619 0.140 19522 13435 1 20 . 1 1 178 178 ASN N N 178 117.233 117.233 116.334 0.899 19522 13436 1 20 . 1 1 178 178 ASN C C 178 176.021 176.021 176.740 -0.719 19522 13437 1 20 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.000 -0.157 19522 13438 1 20 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.331 -0.228 19522 13439 1 20 . 1 1 178 178 ASN H H 178 8.333 8.333 7.815 0.518 19522 13440 1 20 . 1 1 179 179 ASP N N 179 115.264 115.264 118.474 -3.210 19522 13441 1 20 . 1 1 179 179 ASP C C 179 177.557 177.557 176.785 0.772 19522 13442 1 20 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.351 -0.451 19522 13443 1 20 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.459 -2.179 19522 13444 1 20 . 1 1 179 179 ASP H H 179 8.451 8.451 7.794 0.657 19522 13445 1 20 . 1 1 180 180 HIS N N 180 111.728 111.728 115.196 -3.468 19522 13446 1 20 . 1 1 180 180 HIS C C 180 175.479 175.479 176.294 -0.815 19522 13447 1 20 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.890 -1.469 19522 13448 1 20 . 1 1 180 180 HIS CB C 180 29.609 29.609 31.671 -2.062 19522 13449 1 20 . 1 1 180 180 HIS H H 180 8.073 8.073 7.749 0.324 19522 13450 1 20 . 1 1 181 181 LEU N N 181 116.833 116.833 121.684 -4.851 19522 13451 1 20 . 1 1 181 181 LEU C C 181 176.160 176.160 178.519 -2.359 19522 13452 1 20 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.722 -3.701 19522 13453 1 20 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.975 -0.219 19522 13454 1 20 . 1 1 181 181 LEU H H 181 7.183 7.183 7.466 -0.283 19522 13455 1 20 . 1 1 182 182 GLU N N 182 121.364 121.364 118.603 2.761 19522 13456 1 20 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.745 -0.731 19522 13457 1 20 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.585 -1.629 19522 13458 1 20 . 1 1 182 182 GLU H H 182 8.596 8.596 8.740 -0.144 19522 13459 1 20 . 1 1 184 184 TRP N N 184 117.804 117.804 120.646 -2.842 19522 13460 1 20 . 1 1 184 184 TRP C C 184 179.217 179.217 178.119 1.098 19522 13461 1 20 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.680 5.992 19522 13462 1 20 . 1 1 184 184 TRP CB C 184 29.073 29.073 29.682 -0.609 19522 13463 1 20 . 1 1 184 184 TRP H H 184 7.070 7.070 7.631 -0.561 19522 13464 1 20 . 1 1 185 185 ILE N N 185 121.825 121.825 119.028 2.797 19522 13465 1 20 . 1 1 185 185 ILE C C 185 178.655 178.655 178.603 0.052 19522 13466 1 20 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.001 0.271 19522 13467 1 20 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.842 -1.897 19522 13468 1 20 . 1 1 185 185 ILE H H 185 8.396 8.396 8.515 -0.119 19522 13469 1 20 . 1 1 186 186 GLN N N 186 116.489 116.489 116.744 -0.255 19522 13470 1 20 . 1 1 186 186 GLN C C 186 179.035 179.035 176.777 2.258 19522 13471 1 20 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.787 0.031 19522 13472 1 20 . 1 1 186 186 GLN CB C 186 26.813 26.813 28.173 -1.360 19522 13473 1 20 . 1 1 186 186 GLN H H 186 8.374 8.374 7.823 0.551 19522 13474 1 20 . 1 1 187 187 GLU N N 187 118.764 118.764 119.102 -0.338 19522 13475 1 20 . 1 1 187 187 GLU C C 187 176.458 176.458 177.687 -1.229 19522 13476 1 20 . 1 1 187 187 GLU CA C 187 57.019 57.019 57.051 -0.032 19522 13477 1 20 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.531 -2.120 19522 13478 1 20 . 1 1 187 187 GLU H H 187 7.515 7.515 7.524 -0.009 19522 13479 1 20 . 1 1 188 188 ASN N N 188 116.561 116.561 116.190 0.371 19522 13480 1 20 . 1 1 188 188 ASN C C 188 173.620 173.620 174.731 -1.111 19522 13481 1 20 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.188 -0.325 19522 13482 1 20 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.183 -2.462 19522 13483 1 20 . 1 1 188 188 ASN H H 188 7.092 7.092 7.534 -0.442 19522 13484 1 20 . 1 1 189 189 GLY N N 189 104.897 104.897 103.548 1.349 19522 13485 1 20 . 1 1 189 189 GLY C C 189 175.658 175.658 172.998 2.660 19522 13486 1 20 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.408 0.384 19522 13487 1 20 . 1 1 189 189 GLY H H 189 7.339 7.339 7.263 0.076 19522 13488 1 20 . 1 1 190 190 GLY N N 190 108.292 108.292 109.487 -1.195 19522 13489 1 20 . 1 1 190 190 GLY C C 190 173.021 173.021 174.913 -1.892 19522 13490 1 20 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.379 -2.025 19522 13491 1 20 . 1 1 190 190 GLY H H 190 8.462 8.462 9.322 -0.860 19522 13492 1 20 . 1 1 191 191 TRP N N 191 118.031 118.031 121.430 -3.399 19522 13493 1 20 . 1 1 191 191 TRP C C 191 178.136 178.136 177.269 0.867 19522 13494 1 20 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.003 -0.587 19522 13495 1 20 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.015 -0.365 19522 13496 1 20 . 1 1 191 191 TRP H H 191 8.673 8.673 8.322 0.351 19522 13497 1 20 . 1 1 192 192 ASP N N 192 117.298 117.298 119.190 -1.892 19522 13498 1 20 . 1 1 192 192 ASP C C 192 179.058 179.058 177.751 1.307 19522 13499 1 20 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.380 0.479 19522 13500 1 20 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.349 -0.070 19522 13501 1 20 . 1 1 192 192 ASP H H 192 8.846 8.846 8.008 0.838 19522 13502 1 20 . 1 1 193 193 THR N N 193 116.061 116.061 114.366 1.695 19522 13503 1 20 . 1 1 193 193 THR C C 193 174.979 174.979 175.989 -1.010 19522 13504 1 20 . 1 1 193 193 THR CA C 193 65.649 65.649 64.429 1.220 19522 13505 1 20 . 1 1 193 193 THR CB C 193 67.327 67.327 68.405 -1.078 19522 13506 1 20 . 1 1 193 193 THR H H 193 7.431 7.431 7.299 0.132 19522 13507 1 20 . 1 1 194 194 PHE N N 194 121.789 121.789 122.769 -0.980 19522 13508 1 20 . 1 1 194 194 PHE C C 194 176.418 176.418 177.243 -0.825 19522 13509 1 20 . 1 1 194 194 PHE CA C 194 61.014 61.014 60.670 0.344 19522 13510 1 20 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.154 -2.273 19522 13511 1 20 . 1 1 194 194 PHE H H 194 6.527 6.527 7.902 -1.375 19522 13512 1 20 . 1 1 195 195 VAL N N 195 116.988 116.988 118.817 -1.829 19522 13513 1 20 . 1 1 195 195 VAL C C 195 178.078 178.078 177.801 0.277 19522 13514 1 20 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.041 -0.289 19522 13515 1 20 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.459 0.029 19522 13516 1 20 . 1 1 195 195 VAL H H 195 7.747 7.747 8.257 -0.510 19522 13517 1 20 . 1 1 196 196 GLU N N 196 120.171 120.171 119.372 0.799 19522 13518 1 20 . 1 1 196 196 GLU C C 196 177.976 177.976 178.052 -0.076 19522 13519 1 20 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.434 -1.114 19522 13520 1 20 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.299 -0.626 19522 13521 1 20 . 1 1 196 196 GLU H H 196 7.497 7.497 7.710 -0.213 19522 13522 1 20 . 1 1 197 197 LEU N N 197 117.210 117.210 113.734 3.476 19522 13523 1 20 . 1 1 197 197 LEU C C 197 178.376 178.376 176.946 1.430 19522 13524 1 20 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.253 0.647 19522 13525 1 20 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.767 0.628 19522 13526 1 20 . 1 1 197 197 LEU H H 197 7.626 7.626 7.376 0.250 19522 13527 1 20 . 1 1 198 198 TYR N N 198 115.681 115.681 120.786 -5.105 19522 13528 1 20 . 1 1 198 198 TYR C C 198 176.577 176.577 176.577 0.000 19522 13529 1 20 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.331 -0.954 19522 13530 1 20 . 1 1 198 198 TYR CB C 198 37.521 37.521 39.620 -2.099 19522 13531 1 20 . 1 1 198 198 TYR H H 198 8.081 8.081 7.472 0.609 19522 13532 1 20 . 1 1 199 199 GLY N N 199 108.201 108.201 104.501 3.700 19522 13533 1 20 . 1 1 199 199 GLY C C 199 173.640 173.640 175.072 -1.432 19522 13534 1 20 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.103 -0.550 19522 13535 1 20 . 1 1 199 199 GLY H H 199 8.032 8.032 8.138 -0.106 19522 13536 1 20 . 1 1 200 200 ASN N N 200 118.385 118.385 119.031 -0.646 19522 13537 1 20 . 1 1 200 200 ASN C C 200 175.081 175.081 174.151 0.930 19522 13538 1 20 . 1 1 200 200 ASN CA C 200 52.784 52.784 53.118 -0.334 19522 13539 1 20 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.371 -1.930 19522 13540 1 20 . 1 1 200 200 ASN H H 200 8.300 8.300 8.202 0.098 19522 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 138 2.884 0.739 2.798 19522 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19522 3 1 1 "Average Difference" C 135 1.560 0.080 1.563 19522 4 1 1 "Average Difference" CA 138 1.892 0.626 1.792 19522 5 1 1 "Average Difference" CB 128 1.735 1.229 1.230 19522 6 1 1 "Average Difference" HN 138 0.582 0.058 0.581 19522 7 1 2 "Average Difference" N 138 2.892 0.710 2.813 19522 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19522 9 1 2 "Average Difference" C 135 1.502 0.119 1.502 19522 10 1 2 "Average Difference" CA 138 1.816 0.621 1.712 19522 11 1 2 "Average Difference" CB 128 1.750 1.255 1.224 19522 12 1 2 "Average Difference" HN 138 0.551 0.038 0.552 19522 13 1 3 "Average Difference" N 138 2.935 0.709 2.858 19522 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19522 15 1 3 "Average Difference" C 135 1.484 0.132 1.484 19522 16 1 3 "Average Difference" CA 138 1.870 0.583 1.784 19522 17 1 3 "Average Difference" CB 128 1.719 1.237 1.198 19522 18 1 3 "Average Difference" HN 138 0.525 0.034 0.526 19522 19 1 4 "Average Difference" N 138 2.983 0.753 2.897 19522 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19522 21 1 4 "Average Difference" C 135 1.523 0.072 1.527 19522 22 1 4 "Average Difference" CA 138 1.864 0.584 1.777 19522 23 1 4 "Average Difference" CB 128 1.732 1.262 1.191 19522 24 1 4 "Average Difference" HN 138 0.572 0.016 0.574 19522 25 1 5 "Average Difference" N 138 2.975 0.788 2.879 19522 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19522 27 1 5 "Average Difference" C 135 1.523 0.145 1.522 19522 28 1 5 "Average Difference" CA 138 1.845 0.616 1.746 19522 29 1 5 "Average Difference" CB 128 1.716 1.226 1.206 19522 30 1 5 "Average Difference" HN 138 0.569 0.033 0.570 19522 31 1 6 "Average Difference" N 138 2.952 0.675 2.884 19522 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19522 33 1 6 "Average Difference" C 135 1.524 0.105 1.526 19522 34 1 6 "Average Difference" CA 138 1.869 0.595 1.778 19522 35 1 6 "Average Difference" CB 128 1.715 1.253 1.176 19522 36 1 6 "Average Difference" HN 138 0.577 0.029 0.578 19522 37 1 7 "Average Difference" N 138 2.987 0.702 2.914 19522 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19522 39 1 7 "Average Difference" C 135 1.536 0.104 1.538 19522 40 1 7 "Average Difference" CA 138 1.811 0.548 1.733 19522 41 1 7 "Average Difference" CB 128 1.754 1.269 1.216 19522 42 1 7 "Average Difference" HN 138 0.569 0.033 0.570 19522 43 1 8 "Average Difference" N 138 2.886 0.785 2.787 19522 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19522 45 1 8 "Average Difference" C 135 1.550 0.098 1.552 19522 46 1 8 "Average Difference" CA 138 1.819 0.569 1.734 19522 47 1 8 "Average Difference" CB 128 1.744 1.219 1.252 19522 48 1 8 "Average Difference" HN 138 0.558 0.014 0.560 19522 49 1 9 "Average Difference" N 138 3.074 0.655 3.014 19522 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19522 51 1 9 "Average Difference" C 135 1.521 0.086 1.524 19522 52 1 9 "Average Difference" CA 138 1.869 0.580 1.783 19522 53 1 9 "Average Difference" CB 128 1.766 1.268 1.234 19522 54 1 9 "Average Difference" HN 138 0.541 0.031 0.542 19522 55 1 10 "Average Difference" N 138 2.911 0.721 2.831 19522 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19522 57 1 10 "Average Difference" C 135 1.553 0.115 1.555 19522 58 1 10 "Average Difference" CA 138 1.855 0.569 1.772 19522 59 1 10 "Average Difference" CB 128 1.741 1.232 1.235 19522 60 1 10 "Average Difference" HN 138 0.577 0.033 0.578 19522 61 1 11 "Average Difference" N 138 2.854 0.752 2.763 19522 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19522 63 1 11 "Average Difference" C 135 1.557 0.128 1.557 19522 64 1 11 "Average Difference" CA 138 1.907 0.602 1.816 19522 65 1 11 "Average Difference" CB 128 1.755 1.229 1.257 19522 66 1 11 "Average Difference" HN 138 0.573 0.045 0.573 19522 67 1 12 "Average Difference" N 138 2.934 0.725 2.854 19522 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19522 69 1 12 "Average Difference" C 135 1.471 0.150 1.469 19522 70 1 12 "Average Difference" CA 138 1.828 0.620 1.725 19522 71 1 12 "Average Difference" CB 128 1.748 1.200 1.276 19522 72 1 12 "Average Difference" HN 138 0.554 0.043 0.555 19522 73 1 13 "Average Difference" N 138 2.977 0.632 2.920 19522 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19522 75 1 13 "Average Difference" C 135 1.502 0.121 1.503 19522 76 1 13 "Average Difference" CA 138 1.875 0.642 1.768 19522 77 1 13 "Average Difference" CB 128 1.742 1.224 1.244 19522 78 1 13 "Average Difference" HN 138 0.539 0.061 0.538 19522 79 1 14 "Average Difference" N 138 3.006 0.809 2.905 19522 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19522 81 1 14 "Average Difference" C 135 1.528 0.104 1.530 19522 82 1 14 "Average Difference" CA 138 1.886 0.619 1.788 19522 83 1 14 "Average Difference" CB 128 1.728 1.270 1.176 19522 84 1 14 "Average Difference" HN 138 0.584 0.048 0.584 19522 85 1 15 "Average Difference" N 138 2.973 0.802 2.873 19522 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19522 87 1 15 "Average Difference" C 135 1.548 0.095 1.551 19522 88 1 15 "Average Difference" CA 138 1.834 0.583 1.746 19522 89 1 15 "Average Difference" CB 128 1.712 1.233 1.192 19522 90 1 15 "Average Difference" HN 138 0.566 0.035 0.567 19522 91 1 16 "Average Difference" N 138 3.046 0.855 2.934 19522 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19522 93 1 16 "Average Difference" C 135 1.574 0.104 1.576 19522 94 1 16 "Average Difference" CA 138 1.884 0.600 1.793 19522 95 1 16 "Average Difference" CB 128 1.752 1.269 1.213 19522 96 1 16 "Average Difference" HN 138 0.553 0.045 0.553 19522 97 1 17 "Average Difference" N 138 2.898 0.795 2.797 19522 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19522 99 1 17 "Average Difference" C 135 1.568 0.090 1.571 19522 100 1 17 "Average Difference" CA 138 1.877 0.595 1.787 19522 101 1 17 "Average Difference" CB 128 1.755 1.246 1.241 19522 102 1 17 "Average Difference" HN 138 0.540 0.044 0.540 19522 103 1 18 "Average Difference" N 138 2.959 0.772 2.867 19522 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19522 105 1 18 "Average Difference" C 135 1.554 0.133 1.554 19522 106 1 18 "Average Difference" CA 138 1.768 0.579 1.677 19522 107 1 18 "Average Difference" CB 128 1.758 1.234 1.258 19522 108 1 18 "Average Difference" HN 138 0.581 0.014 0.583 19522 109 1 19 "Average Difference" N 138 3.051 0.738 2.971 19522 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19522 111 1 19 "Average Difference" C 135 1.517 0.128 1.517 19522 112 1 19 "Average Difference" CA 138 1.857 0.619 1.757 19522 113 1 19 "Average Difference" CB 128 1.731 1.236 1.217 19522 114 1 19 "Average Difference" HN 138 0.571 0.045 0.572 19522 115 1 20 "Average Difference" N 138 2.894 0.717 2.814 19522 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19522 117 1 20 "Average Difference" C 135 1.510 0.127 1.510 19522 118 1 20 "Average Difference" CA 138 1.858 0.603 1.764 19522 119 1 20 "Average Difference" CB 128 1.720 1.222 1.215 19522 120 1 20 "Average Difference" HN 138 0.552 0.034 0.553 19522 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 19522 _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 5 5 SER N N 5 116.171 116.171 120.767 -4.596 19522 2 1 . 1 1 5 5 SER C C 5 174.320 174.320 174.606 -0.286 19522 3 1 . 1 1 5 5 SER CA C 5 57.898 57.898 58.651 -0.753 19522 4 1 . 1 1 5 5 SER CB C 5 62.533 62.533 63.629 -1.096 19522 5 1 . 1 1 5 5 SER H H 5 8.224 8.224 8.712 -0.488 19522 6 1 . 1 1 6 6 GLN N N 6 122.369 122.369 118.755 3.614 19522 7 1 . 1 1 6 6 GLN C C 6 176.418 176.418 176.170 0.248 19522 8 1 . 1 1 6 6 GLN CA C 6 55.900 55.900 56.123 -0.223 19522 9 1 . 1 1 6 6 GLN CB C 6 28.810 28.810 27.638 1.172 19522 10 1 . 1 1 6 6 GLN H H 6 8.337 8.337 8.533 -0.196 19522 11 1 . 1 1 7 7 SER N N 7 116.584 116.584 115.204 1.380 19522 12 1 . 1 1 7 7 SER C C 7 175.859 175.859 176.039 -0.180 19522 13 1 . 1 1 7 7 SER CA C 7 56.260 56.260 61.012 -4.752 19522 14 1 . 1 1 7 7 SER CB C 7 61.916 61.916 62.826 -0.910 19522 15 1 . 1 1 7 7 SER H H 7 8.221 8.221 8.865 -0.644 19522 16 1 . 1 1 8 8 ASN N N 8 119.373 119.373 120.753 -1.380 19522 17 1 . 1 1 8 8 ASN C C 8 177.259 177.259 177.190 0.069 19522 18 1 . 1 1 8 8 ASN CA C 8 53.207 53.207 55.940 -2.733 19522 19 1 . 1 1 8 8 ASN CB C 8 36.664 36.664 38.323 -1.659 19522 20 1 . 1 1 8 8 ASN H H 8 8.375 8.375 7.912 0.463 19522 21 1 . 1 1 9 9 ARG N N 9 119.039 119.039 121.435 -2.396 19522 22 1 . 1 1 9 9 ARG C C 9 176.977 176.977 178.504 -1.527 19522 23 1 . 1 1 9 9 ARG CA C 9 58.006 58.006 59.238 -1.232 19522 24 1 . 1 1 9 9 ARG CB C 9 31.310 31.310 30.205 1.105 19522 25 1 . 1 1 9 9 ARG H H 9 7.815 7.815 8.646 -0.831 19522 26 1 . 1 1 10 10 GLU N N 10 117.158 117.158 119.777 -2.619 19522 27 1 . 1 1 10 10 GLU C C 10 179.475 179.475 179.142 0.333 19522 28 1 . 1 1 10 10 GLU CA C 10 55.497 55.497 59.316 -3.818 19522 29 1 . 1 1 10 10 GLU CB C 10 28.993 28.993 29.104 -0.111 19522 30 1 . 1 1 10 10 GLU H H 10 7.949 7.949 8.346 -0.397 19522 31 1 . 1 1 11 11 LEU N N 11 119.880 119.880 120.344 -0.464 19522 32 1 . 1 1 11 11 LEU C C 11 178.096 178.096 178.924 -0.828 19522 33 1 . 1 1 11 11 LEU CA C 11 57.201 57.201 57.845 -0.644 19522 34 1 . 1 1 11 11 LEU CB C 11 39.918 39.918 41.363 -1.445 19522 35 1 . 1 1 11 11 LEU H H 11 7.807 7.807 7.639 0.168 19522 36 1 . 1 1 12 12 VAL N N 12 117.702 117.702 119.652 -1.950 19522 37 1 . 1 1 12 12 VAL C C 12 176.377 176.377 178.490 -2.113 19522 38 1 . 1 1 12 12 VAL CA C 12 67.088 67.088 67.116 -0.028 19522 39 1 . 1 1 12 12 VAL CB C 12 30.968 30.968 31.173 -0.205 19522 40 1 . 1 1 12 12 VAL H H 12 7.690 7.690 8.044 -0.354 19522 41 1 . 1 1 13 13 VAL N N 13 116.258 116.258 115.682 0.576 19522 42 1 . 1 1 13 13 VAL C C 13 178.416 178.416 177.283 1.133 19522 43 1 . 1 1 13 13 VAL CA C 13 65.912 65.912 65.916 -0.004 19522 44 1 . 1 1 13 13 VAL CB C 13 28.593 28.593 30.729 -2.136 19522 45 1 . 1 1 13 13 VAL H H 13 8.225 8.225 7.998 0.227 19522 46 1 . 1 1 14 14 ASP N N 14 120.362 120.362 122.318 -1.956 19522 47 1 . 1 1 14 14 ASP C C 14 177.040 177.040 177.844 -0.804 19522 48 1 . 1 1 14 14 ASP CA C 14 57.978 57.978 57.668 0.310 19522 49 1 . 1 1 14 14 ASP CB C 14 42.258 42.258 41.141 1.117 19522 50 1 . 1 1 14 14 ASP H H 14 7.967 7.967 7.983 -0.016 19522 51 1 . 1 1 15 15 PHE N N 15 119.747 119.747 120.527 -0.780 19522 52 1 . 1 1 15 15 PHE C C 15 177.876 177.876 177.354 0.522 19522 53 1 . 1 1 15 15 PHE CA C 15 62.475 62.475 61.272 1.203 19522 54 1 . 1 1 15 15 PHE CB C 15 38.582 38.582 39.193 -0.611 19522 55 1 . 1 1 15 15 PHE H H 15 8.308 8.308 8.333 -0.025 19522 56 1 . 1 1 16 16 LEU N N 16 116.203 116.203 119.950 -3.747 19522 57 1 . 1 1 16 16 LEU C C 16 175.618 175.618 178.446 -2.828 19522 58 1 . 1 1 16 16 LEU CA C 16 57.578 57.578 58.288 -0.710 19522 59 1 . 1 1 16 16 LEU CB C 16 40.340 40.340 41.785 -1.445 19522 60 1 . 1 1 16 16 LEU H H 16 8.718 8.718 8.053 0.665 19522 61 1 . 1 1 17 17 SER N N 17 113.607 113.607 115.271 -1.664 19522 62 1 . 1 1 17 17 SER C C 17 176.980 176.980 176.430 0.550 19522 63 1 . 1 1 17 17 SER CA C 17 62.150 62.150 62.247 -0.097 19522 64 1 . 1 1 17 17 SER CB C 17 60.854 60.854 62.852 -1.998 19522 65 1 . 1 1 17 17 SER H H 17 8.338 8.338 8.227 0.111 19522 66 1 . 1 1 18 18 TYR N N 18 124.591 124.591 122.570 2.021 19522 67 1 . 1 1 18 18 TYR C C 18 177.996 177.996 177.051 0.945 19522 68 1 . 1 1 18 18 TYR CA C 18 59.279 59.279 60.867 -1.589 19522 69 1 . 1 1 18 18 TYR CB C 18 36.345 36.345 38.410 -2.065 19522 70 1 . 1 1 18 18 TYR H H 18 8.228 8.228 8.137 0.091 19522 71 1 . 1 1 19 19 LYS N N 19 119.761 119.761 118.566 1.195 19522 72 1 . 1 1 19 19 LYS C C 19 179.841 179.841 178.516 1.325 19522 73 1 . 1 1 19 19 LYS CA C 19 56.083 56.083 57.502 -1.419 19522 74 1 . 1 1 19 19 LYS CB C 19 28.650 28.650 32.311 -3.661 19522 75 1 . 1 1 19 19 LYS H H 19 8.230 8.230 7.413 0.817 19522 76 1 . 1 1 20 20 LEU N N 20 118.077 118.077 119.413 -1.336 19522 77 1 . 1 1 20 20 LEU C C 20 179.654 179.654 177.213 2.441 19522 78 1 . 1 1 20 20 LEU CA C 20 57.978 57.978 56.690 1.288 19522 79 1 . 1 1 20 20 LEU CB C 20 39.438 39.438 41.834 -2.396 19522 80 1 . 1 1 20 20 LEU H H 20 8.534 8.534 8.012 0.522 19522 81 1 . 1 1 21 21 SER N N 21 117.073 117.073 111.684 5.389 19522 82 1 . 1 1 21 21 SER C C 21 178.204 178.204 174.241 3.963 19522 83 1 . 1 1 21 21 SER CA C 21 60.375 60.375 58.289 2.086 19522 84 1 . 1 1 21 21 SER CB C 21 61.836 61.836 62.400 -0.564 19522 85 1 . 1 1 21 21 SER H H 21 8.239 8.239 7.360 0.879 19522 86 1 . 1 1 22 22 GLN N N 22 122.767 122.767 121.189 1.578 19522 87 1 . 1 1 22 22 GLN C C 22 176.997 176.997 175.628 1.369 19522 88 1 . 1 1 22 22 GLN CA C 22 57.578 57.578 57.347 0.231 19522 89 1 . 1 1 22 22 GLN CB C 22 27.132 27.132 29.591 -2.459 19522 90 1 . 1 1 22 22 GLN H H 22 7.632 7.632 7.526 0.106 19522 91 1 . 1 1 23 23 LYS N N 23 116.016 116.016 117.088 -1.072 19522 92 1 . 1 1 23 23 LYS C C 23 175.419 175.419 174.839 0.580 19522 93 1 . 1 1 23 23 LYS CA C 23 52.943 52.943 56.183 -3.240 19522 94 1 . 1 1 23 23 LYS CB C 23 31.048 31.048 34.041 -2.993 19522 95 1 . 1 1 23 23 LYS H H 23 7.167 7.167 8.233 -1.066 19522 96 1 . 1 1 24 24 GLY N N 24 105.329 105.329 110.192 -4.863 19522 97 1 . 1 1 24 24 GLY C C 24 173.680 173.680 172.715 0.965 19522 98 1 . 1 1 24 24 GLY CA C 24 44.313 44.313 44.975 -0.662 19522 99 1 . 1 1 24 24 GLY H H 24 7.504 7.504 8.160 -0.656 19522 100 1 . 1 1 25 25 TYR N N 25 119.528 119.528 115.902 3.626 19522 101 1 . 1 1 25 25 TYR C C 25 174.779 174.779 174.427 0.352 19522 102 1 . 1 1 25 25 TYR CA C 25 57.761 57.761 55.368 2.393 19522 103 1 . 1 1 25 25 TYR CB C 25 39.301 39.301 38.352 0.949 19522 104 1 . 1 1 25 25 TYR H H 25 7.817 7.817 7.170 0.647 19522 105 1 . 1 1 26 26 SER N N 26 115.815 115.815 121.687 -5.872 19522 106 1 . 1 1 26 26 SER C C 26 173.860 173.860 175.915 -2.055 19522 107 1 . 1 1 26 26 SER CA C 26 56.083 56.083 57.698 -1.615 19522 108 1 . 1 1 26 26 SER CB C 26 63.275 63.275 63.674 -0.399 19522 109 1 . 1 1 26 26 SER H H 26 8.475 8.475 8.061 0.414 19522 110 1 . 1 1 27 27 TRP N N 27 126.476 126.476 121.672 4.804 19522 111 1 . 1 1 27 27 TRP C C 27 174.141 174.141 177.244 -3.103 19522 112 1 . 1 1 27 27 TRP CA C 27 58.400 58.400 58.382 0.018 19522 113 1 . 1 1 27 27 TRP CB C 27 29.210 29.210 29.111 0.099 19522 114 1 . 1 1 27 27 TRP H H 27 8.720 8.720 7.808 0.912 19522 115 1 . 1 1 28 28 SER N N 28 114.011 114.011 114.547 -0.536 19522 116 1 . 1 1 28 28 SER C C 28 172.859 172.859 175.478 -2.619 19522 117 1 . 1 1 28 28 SER CA C 28 66.186 66.186 60.286 5.900 19522 118 1 . 1 1 28 28 SER CB C 28 61.996 61.996 62.305 -0.309 19522 119 1 . 1 1 28 28 SER H H 28 8.034 8.034 7.771 0.263 19522 120 1 . 1 1 29 29 GLN N N 29 120.138 120.138 119.824 0.314 19522 121 1 . 1 1 29 29 GLN C C 29 177.250 177.250 176.567 0.683 19522 122 1 . 1 1 29 29 GLN CA C 29 55.170 55.170 57.696 -2.526 19522 123 1 . 1 1 29 29 GLN CB C 29 28.339 28.339 29.107 -0.768 19522 124 1 . 1 1 29 29 GLN H H 29 7.323 7.323 7.508 -0.185 19522 125 1 . 1 1 30 30 PHE N N 30 113.775 113.775 118.444 -4.669 19522 126 1 . 1 1 30 30 PHE C C 30 176.814 176.814 176.519 0.295 19522 127 1 . 1 1 30 30 PHE CA C 30 56.163 56.163 59.153 -2.989 19522 128 1 . 1 1 30 30 PHE CB C 30 37.840 37.840 39.881 -2.041 19522 129 1 . 1 1 30 30 PHE H H 30 6.778 6.778 7.602 -0.824 19522 130 1 . 1 1 87 87 ALA N N 87 124.732 124.732 124.515 0.217 19522 131 1 . 1 1 87 87 ALA C C 87 175.941 175.941 176.994 -1.053 19522 132 1 . 1 1 87 87 ALA CA C 87 49.850 49.850 52.227 -2.376 19522 133 1 . 1 1 87 87 ALA CB C 87 17.566 17.566 19.405 -1.839 19522 134 1 . 1 1 87 87 ALA H H 87 8.079 8.079 8.798 -0.719 19522 135 1 . 1 1 88 88 ALA N N 88 121.664 121.664 120.812 0.852 19522 136 1 . 1 1 88 88 ALA C C 88 177.523 177.523 177.868 -0.345 19522 137 1 . 1 1 88 88 ALA CA C 88 56.151 56.151 52.340 3.811 19522 138 1 . 1 1 88 88 ALA CB C 88 17.463 17.463 17.243 0.220 19522 139 1 . 1 1 88 88 ALA H H 88 7.951 7.951 7.730 0.221 19522 140 1 . 1 1 89 89 VAL N N 89 119.415 119.415 119.171 0.244 19522 141 1 . 1 1 89 89 VAL C C 89 176.857 176.857 176.651 0.206 19522 142 1 . 1 1 89 89 VAL CA C 89 61.836 61.836 66.082 -4.246 19522 143 1 . 1 1 89 89 VAL CB C 89 31.071 31.071 31.457 -0.386 19522 144 1 . 1 1 89 89 VAL H H 89 8.161 8.161 8.339 -0.178 19522 145 1 . 1 1 90 90 LYS N N 90 121.221 121.221 118.991 2.231 19522 146 1 . 1 1 90 90 LYS C C 90 175.559 175.559 178.394 -2.835 19522 147 1 . 1 1 90 90 LYS CA C 90 56.083 56.083 59.693 -3.610 19522 148 1 . 1 1 90 90 LYS CB C 90 28.913 28.913 31.817 -2.904 19522 149 1 . 1 1 90 90 LYS H H 90 8.529 8.529 8.253 0.276 19522 150 1 . 1 1 91 91 GLN N N 91 115.879 115.879 118.708 -2.829 19522 151 1 . 1 1 91 91 GLN C C 91 176.950 176.950 178.039 -1.089 19522 152 1 . 1 1 91 91 GLN CA C 91 57.921 57.921 58.393 -0.471 19522 153 1 . 1 1 91 91 GLN CB C 91 27.235 27.235 28.066 -0.831 19522 154 1 . 1 1 91 91 GLN H H 91 7.973 7.973 7.695 0.278 19522 155 1 . 1 1 92 92 ALA N N 92 119.538 119.538 123.414 -3.876 19522 156 1 . 1 1 92 92 ALA C C 92 179.537 179.537 179.828 -0.291 19522 157 1 . 1 1 92 92 ALA CA C 92 54.245 54.245 55.353 -1.108 19522 158 1 . 1 1 92 92 ALA CB C 92 16.767 16.767 18.295 -1.528 19522 159 1 . 1 1 92 92 ALA H H 92 7.661 7.661 8.299 -0.638 19522 160 1 . 1 1 93 93 LEU N N 93 120.236 120.236 118.463 1.773 19522 161 1 . 1 1 93 93 LEU C C 93 179.075 179.075 179.222 -0.147 19522 162 1 . 1 1 93 93 LEU CA C 93 57.787 57.787 57.236 0.551 19522 163 1 . 1 1 93 93 LEU CB C 93 40.557 40.557 40.473 0.084 19522 164 1 . 1 1 93 93 LEU H H 93 8.544 8.544 8.260 0.284 19522 165 1 . 1 1 94 94 ARG N N 94 118.361 118.361 120.493 -2.132 19522 166 1 . 1 1 94 94 ARG C C 94 178.396 178.396 178.528 -0.132 19522 167 1 . 1 1 94 94 ARG CA C 94 59.736 59.736 59.673 0.063 19522 168 1 . 1 1 94 94 ARG CB C 94 28.091 28.091 29.704 -1.613 19522 169 1 . 1 1 94 94 ARG H H 94 8.057 8.057 7.925 0.132 19522 170 1 . 1 1 95 95 GLU N N 95 115.851 115.851 119.249 -3.398 19522 171 1 . 1 1 95 95 GLU C C 95 179.794 179.794 179.096 0.698 19522 172 1 . 1 1 95 95 GLU CA C 95 58.217 58.217 59.718 -1.501 19522 173 1 . 1 1 95 95 GLU CB C 95 28.091 28.091 29.385 -1.294 19522 174 1 . 1 1 95 95 GLU H H 95 7.737 7.737 8.289 -0.552 19522 175 1 . 1 1 96 96 ALA N N 96 122.958 122.958 121.073 1.885 19522 176 1 . 1 1 96 96 ALA C C 96 181.313 181.313 180.068 1.245 19522 177 1 . 1 1 96 96 ALA CA C 96 54.302 54.302 55.046 -0.744 19522 178 1 . 1 1 96 96 ALA CB C 96 17.703 17.703 18.409 -0.707 19522 179 1 . 1 1 96 96 ALA H H 96 8.824 8.824 7.865 0.959 19522 180 1 . 1 1 97 97 GLY N N 97 108.363 108.363 107.258 1.105 19522 181 1 . 1 1 97 97 GLY C C 97 178.177 178.177 176.305 1.872 19522 182 1 . 1 1 97 97 GLY CA C 97 45.991 45.991 47.408 -1.417 19522 183 1 . 1 1 97 97 GLY H H 97 9.088 9.088 8.374 0.714 19522 184 1 . 1 1 98 98 ASP N N 98 122.197 122.197 122.208 -0.011 19522 185 1 . 1 1 98 98 ASP C C 98 178.715 178.715 178.784 -0.069 19522 186 1 . 1 1 98 98 ASP CA C 98 57.019 57.019 57.689 -0.670 19522 187 1 . 1 1 98 98 ASP CB C 98 38.479 38.479 40.967 -2.488 19522 188 1 . 1 1 98 98 ASP H H 98 8.102 8.102 8.465 -0.363 19522 189 1 . 1 1 99 99 GLU N N 99 120.103 120.103 119.465 0.638 19522 190 1 . 1 1 99 99 GLU C C 99 179.513 179.513 179.060 0.453 19522 191 1 . 1 1 99 99 GLU CA C 99 53.752 53.752 59.192 -5.440 19522 192 1 . 1 1 99 99 GLU CB C 99 28.491 28.491 29.697 -1.206 19522 193 1 . 1 1 99 99 GLU H H 99 8.115 8.115 8.015 0.100 19522 194 1 . 1 1 100 100 PHE N N 100 120.218 120.218 118.647 1.571 19522 195 1 . 1 1 100 100 PHE C C 100 178.618 178.618 177.762 0.856 19522 196 1 . 1 1 100 100 PHE CA C 100 57.460 57.460 60.985 -3.525 19522 197 1 . 1 1 100 100 PHE CB C 100 40.336 40.336 39.727 0.609 19522 198 1 . 1 1 100 100 PHE H H 100 8.535 8.535 8.161 0.374 19522 199 1 . 1 1 101 101 GLU N N 101 117.531 117.531 121.341 -3.810 19522 200 1 . 1 1 101 101 GLU C C 101 177.339 177.339 179.039 -1.700 19522 201 1 . 1 1 101 101 GLU CA C 101 57.601 57.601 60.184 -2.583 19522 202 1 . 1 1 101 101 GLU CB C 101 28.593 28.593 29.822 -1.229 19522 203 1 . 1 1 101 101 GLU H H 101 8.032 8.032 8.506 -0.474 19522 204 1 . 1 1 102 102 LEU N N 102 116.641 116.641 116.066 0.575 19522 205 1 . 1 1 102 102 LEU CA C 102 56.588 56.588 57.914 -1.326 19522 206 1 . 1 1 102 102 LEU CB C 102 40.773 40.773 41.584 -0.811 19522 207 1 . 1 1 102 102 LEU H H 102 7.369 7.369 7.797 -0.428 19522 208 1 . 1 1 103 103 ARG N N 103 115.854 115.854 118.552 -2.698 19522 209 1 . 1 1 103 103 ARG C C 103 177.605 177.605 177.929 -0.324 19522 210 1 . 1 1 103 103 ARG CA C 103 58.987 58.987 58.357 0.630 19522 211 1 . 1 1 103 103 ARG CB C 103 31.150 31.150 31.151 -0.001 19522 212 1 . 1 1 103 103 ARG H H 103 7.472 7.472 7.725 -0.253 19522 213 1 . 1 1 104 104 TYR N N 104 119.078 119.078 119.477 -0.399 19522 214 1 . 1 1 104 104 TYR C C 104 174.962 174.962 177.380 -2.418 19522 215 1 . 1 1 104 104 TYR CA C 104 60.841 60.841 61.067 -0.226 19522 216 1 . 1 1 104 104 TYR CB C 104 36.628 36.628 38.784 -2.156 19522 217 1 . 1 1 104 104 TYR H H 104 7.904 7.904 7.937 -0.032 19522 218 1 . 1 1 105 105 ARG N N 105 119.378 119.378 118.552 0.826 19522 219 1 . 1 1 105 105 ARG C C 105 178.395 178.395 177.027 1.368 19522 220 1 . 1 1 105 105 ARG CA C 105 57.921 57.921 56.835 1.085 19522 221 1 . 1 1 105 105 ARG CB C 105 27.794 27.794 29.106 -1.312 19522 222 1 . 1 1 105 105 ARG H H 105 7.195 7.195 8.503 -1.308 19522 223 1 . 1 1 106 106 ARG N N 106 118.875 118.875 119.639 -0.764 19522 224 1 . 1 1 106 106 ARG C C 106 177.257 177.257 176.121 1.136 19522 225 1 . 1 1 106 106 ARG CA C 106 56.915 56.915 55.544 1.371 19522 226 1 . 1 1 106 106 ARG CB C 106 27.554 27.554 30.320 -2.766 19522 227 1 . 1 1 106 106 ARG H H 106 8.452 8.452 7.819 0.633 19522 228 1 . 1 1 107 107 ALA N N 107 121.864 121.864 121.823 0.041 19522 229 1 . 1 1 107 107 ALA C C 107 175.701 175.701 177.092 -1.391 19522 230 1 . 1 1 107 107 ALA CA C 107 54.644 54.644 54.012 0.632 19522 231 1 . 1 1 107 107 ALA CB C 107 17.063 17.063 16.987 0.076 19522 232 1 . 1 1 107 107 ALA H H 107 7.839 7.839 7.825 0.014 19522 233 1 . 1 1 108 108 PHE N N 108 121.984 121.984 119.272 2.712 19522 234 1 . 1 1 108 108 PHE C C 108 174.982 174.982 174.853 0.129 19522 235 1 . 1 1 108 108 PHE CA C 108 57.042 57.042 57.197 -0.156 19522 236 1 . 1 1 108 108 PHE CB C 108 39.838 39.838 38.281 1.557 19522 237 1 . 1 1 108 108 PHE H H 108 8.392 8.392 7.985 0.407 19522 238 1 . 1 1 109 109 SER N N 109 114.585 114.585 117.162 -2.577 19522 239 1 . 1 1 109 109 SER C C 109 175.421 175.421 174.731 0.690 19522 240 1 . 1 1 109 109 SER CA C 109 55.044 55.044 57.039 -1.995 19522 241 1 . 1 1 109 109 SER CB C 109 63.241 63.241 65.281 -2.040 19522 242 1 . 1 1 109 109 SER H H 109 7.810 7.810 7.878 -0.068 19522 243 1 . 1 1 110 110 ASP N N 110 119.725 119.725 122.503 -2.778 19522 244 1 . 1 1 110 110 ASP C C 110 178.196 178.196 178.377 -0.181 19522 245 1 . 1 1 110 110 ASP CA C 110 55.980 55.980 57.264 -1.284 19522 246 1 . 1 1 110 110 ASP CB C 110 37.840 37.840 40.537 -2.697 19522 247 1 . 1 1 110 110 ASP H H 110 8.380 8.380 8.617 -0.237 19522 248 1 . 1 1 111 111 LEU N N 111 120.827 120.827 120.000 0.827 19522 249 1 . 1 1 111 111 LEU C C 111 178.804 178.804 178.542 0.262 19522 250 1 . 1 1 111 111 LEU CA C 111 57.099 57.099 58.311 -1.212 19522 251 1 . 1 1 111 111 LEU CB C 111 40.797 40.797 41.757 -0.960 19522 252 1 . 1 1 111 111 LEU H H 111 7.783 7.783 8.358 -0.575 19522 253 1 . 1 1 112 112 THR N N 112 109.101 109.101 112.563 -3.462 19522 254 1 . 1 1 112 112 THR C C 112 177.157 177.157 177.221 -0.064 19522 255 1 . 1 1 112 112 THR CA C 112 64.690 64.690 66.063 -1.373 19522 256 1 . 1 1 112 112 THR CB C 112 67.407 67.407 68.348 -0.941 19522 257 1 . 1 1 112 112 THR H H 112 8.331 8.331 7.943 0.388 19522 258 1 . 1 1 113 113 SER N N 113 115.811 115.811 117.769 -1.958 19522 259 1 . 1 1 113 113 SER C C 113 175.319 175.319 176.240 -0.921 19522 260 1 . 1 1 113 113 SER CA C 113 59.736 59.736 61.022 -1.286 19522 261 1 . 1 1 113 113 SER CB C 113 62.213 62.213 63.009 -0.796 19522 262 1 . 1 1 113 113 SER H H 113 7.645 7.645 7.771 -0.126 19522 263 1 . 1 1 114 114 GLN N N 114 118.421 118.421 122.209 -3.788 19522 264 1 . 1 1 114 114 GLN C C 114 175.978 175.978 177.739 -1.761 19522 265 1 . 1 1 114 114 GLN CA C 114 56.459 56.459 58.231 -1.772 19522 266 1 . 1 1 114 114 GLN CB C 114 28.011 28.011 28.601 -0.590 19522 267 1 . 1 1 114 114 GLN H H 114 7.614 7.614 8.098 -0.484 19522 268 1 . 1 1 115 115 LEU N N 115 118.236 118.236 118.078 0.158 19522 269 1 . 1 1 115 115 LEU C C 115 176.198 176.198 177.354 -1.156 19522 270 1 . 1 1 115 115 LEU CA C 115 54.804 54.804 55.969 -1.165 19522 271 1 . 1 1 115 115 LEU CB C 115 42.555 42.555 42.726 -0.171 19522 272 1 . 1 1 115 115 LEU H H 115 7.383 7.383 8.152 -0.769 19522 273 1 . 1 1 116 116 HIS N N 116 119.694 119.694 116.772 2.921 19522 274 1 . 1 1 116 116 HIS C C 116 174.122 174.122 174.277 -0.155 19522 275 1 . 1 1 116 116 HIS CA C 116 56.379 56.379 57.017 -0.638 19522 276 1 . 1 1 116 116 HIS CB C 116 28.251 28.251 29.115 -0.864 19522 277 1 . 1 1 116 116 HIS H H 116 8.158 8.158 7.889 0.269 19522 278 1 . 1 1 117 117 ILE N N 117 122.347 122.347 114.498 7.849 19522 279 1 . 1 1 117 117 ILE C C 117 176.377 176.377 175.436 0.941 19522 280 1 . 1 1 117 117 ILE CA C 117 60.717 60.717 61.922 -1.205 19522 281 1 . 1 1 117 117 ILE CB C 117 37.224 37.224 35.811 1.413 19522 282 1 . 1 1 117 117 ILE H H 117 8.658 8.658 8.136 0.522 19522 283 1 . 1 1 118 118 THR N N 118 115.798 115.798 118.725 -2.927 19522 284 1 . 1 1 118 118 THR CA C 118 57.921 57.921 59.891 -1.970 19522 285 1 . 1 1 118 118 THR CB C 118 63.434 63.434 68.740 -5.306 19522 286 1 . 1 1 118 118 THR H H 118 8.227 8.227 8.127 0.100 19522 287 1 . 1 1 120 120 GLY N N 120 109.574 109.574 108.007 1.567 19522 288 1 . 1 1 120 120 GLY C C 120 180.495 180.495 173.618 6.877 19522 289 1 . 1 1 120 120 GLY CA C 120 44.393 44.393 45.702 -1.309 19522 290 1 . 1 1 120 120 GLY H H 120 8.429 8.429 8.071 0.358 19522 291 1 . 1 1 121 121 THR N N 121 113.419 113.419 115.373 -1.954 19522 292 1 . 1 1 121 121 THR C C 121 178.096 178.096 174.209 3.887 19522 293 1 . 1 1 121 121 THR CA C 121 62.041 62.041 62.352 -0.311 19522 294 1 . 1 1 121 121 THR CB C 121 63.994 63.994 66.954 -2.960 19522 295 1 . 1 1 121 121 THR H H 121 7.774 7.774 8.220 -0.446 19522 296 1 . 1 1 122 122 ALA N N 122 121.876 121.876 124.761 -2.885 19522 297 1 . 1 1 122 122 ALA C C 122 177.397 177.397 176.883 0.514 19522 298 1 . 1 1 122 122 ALA CA C 122 52.624 52.624 53.410 -0.786 19522 299 1 . 1 1 122 122 ALA CB C 122 18.525 18.525 20.550 -2.025 19522 300 1 . 1 1 122 122 ALA H H 122 7.944 7.944 8.124 -0.180 19522 301 1 . 1 1 123 123 TYR N N 123 120.931 120.931 114.918 6.013 19522 302 1 . 1 1 123 123 TYR C C 123 176.060 176.060 177.152 -1.092 19522 303 1 . 1 1 123 123 TYR CA C 123 60.055 60.055 58.711 1.344 19522 304 1 . 1 1 123 123 TYR CB C 123 36.482 36.482 38.436 -1.954 19522 305 1 . 1 1 123 123 TYR H H 123 8.748 8.748 7.648 1.100 19522 306 1 . 1 1 124 124 GLN N N 124 115.002 115.002 121.340 -6.338 19522 307 1 . 1 1 124 124 GLN C C 124 178.098 178.098 178.338 -0.240 19522 308 1 . 1 1 124 124 GLN CA C 124 58.640 58.640 59.116 -0.476 19522 309 1 . 1 1 124 124 GLN CB C 124 26.516 26.516 28.466 -1.950 19522 310 1 . 1 1 124 124 GLN H H 124 8.454 8.454 7.521 0.933 19522 311 1 . 1 1 125 125 SER N N 125 114.135 114.135 115.571 -1.436 19522 312 1 . 1 1 125 125 SER C C 125 179.557 179.557 176.155 3.402 19522 313 1 . 1 1 125 125 SER CA C 125 61.357 61.357 61.418 -0.061 19522 314 1 . 1 1 125 125 SER CB C 125 61.357 61.357 62.744 -1.387 19522 315 1 . 1 1 125 125 SER H H 125 7.283 7.283 7.663 -0.380 19522 316 1 . 1 1 126 126 PHE N N 126 113.327 113.327 123.683 -10.356 19522 317 1 . 1 1 126 126 PHE C C 126 174.879 174.879 176.863 -1.984 19522 318 1 . 1 1 126 126 PHE CA C 126 61.117 61.117 60.808 0.309 19522 319 1 . 1 1 126 126 PHE CB C 126 37.703 37.703 39.081 -1.378 19522 320 1 . 1 1 126 126 PHE H H 126 6.606 6.606 7.945 -1.339 19522 321 1 . 1 1 127 127 GLU N N 127 119.398 119.398 118.885 0.513 19522 322 1 . 1 1 127 127 GLU C C 127 176.857 176.857 178.897 -2.040 19522 323 1 . 1 1 127 127 GLU CA C 127 58.058 58.058 59.751 -1.693 19522 324 1 . 1 1 127 127 GLU CB C 127 28.890 28.890 29.156 -0.266 19522 325 1 . 1 1 127 127 GLU H H 127 8.546 8.546 7.964 0.582 19522 326 1 . 1 1 128 128 GLN N N 128 114.754 114.754 119.388 -4.634 19522 327 1 . 1 1 128 128 GLN C C 128 178.356 178.356 178.598 -0.242 19522 328 1 . 1 1 128 128 GLN CA C 128 58.080 58.080 58.600 -0.520 19522 329 1 . 1 1 128 128 GLN CB C 128 26.995 26.995 28.440 -1.445 19522 330 1 . 1 1 128 128 GLN H H 128 7.525 7.525 8.060 -0.535 19522 331 1 . 1 1 129 129 VAL N N 129 118.194 118.194 119.350 -1.156 19522 332 1 . 1 1 129 129 VAL C C 129 177.756 177.756 178.540 -0.784 19522 333 1 . 1 1 129 129 VAL CA C 129 65.090 65.090 66.295 -1.205 19522 334 1 . 1 1 129 129 VAL CB C 129 30.249 30.249 31.377 -1.128 19522 335 1 . 1 1 129 129 VAL H H 129 7.036 7.036 7.779 -0.743 19522 336 1 . 1 1 130 130 VAL N N 130 119.459 119.459 119.743 -0.284 19522 337 1 . 1 1 130 130 VAL C C 130 177.714 177.714 177.837 -0.123 19522 338 1 . 1 1 130 130 VAL CA C 130 65.409 65.409 66.252 -0.843 19522 339 1 . 1 1 130 130 VAL CB C 130 29.472 29.472 30.439 -0.967 19522 340 1 . 1 1 130 130 VAL H H 130 7.831 7.831 8.280 -0.449 19522 341 1 . 1 1 131 131 ASN N N 131 117.212 117.212 117.347 -0.135 19522 342 1 . 1 1 131 131 ASN C C 131 178.775 178.775 177.215 1.560 19522 343 1 . 1 1 131 131 ASN CA C 131 54.644 54.644 56.504 -1.860 19522 344 1 . 1 1 131 131 ASN CB C 131 36.265 36.265 38.564 -2.299 19522 345 1 . 1 1 131 131 ASN H H 131 8.374 8.374 8.477 -0.103 19522 346 1 . 1 1 132 132 GLU N N 132 118.393 118.393 119.646 -1.253 19522 347 1 . 1 1 132 132 GLU C C 132 179.097 179.097 178.674 0.423 19522 348 1 . 1 1 132 132 GLU CA C 132 57.978 57.978 58.831 -0.853 19522 349 1 . 1 1 132 132 GLU CB C 132 27.372 27.372 29.309 -1.937 19522 350 1 . 1 1 132 132 GLU H H 132 7.226 7.226 7.542 -0.316 19522 351 1 . 1 1 133 133 LEU N N 133 120.835 120.835 119.785 1.050 19522 352 1 . 1 1 133 133 LEU C C 133 178.016 178.016 177.844 0.172 19522 353 1 . 1 1 133 133 LEU CA C 133 56.802 56.802 57.406 -0.604 19522 354 1 . 1 1 133 133 LEU CB C 133 39.781 39.781 41.629 -1.848 19522 355 1 . 1 1 133 133 LEU H H 133 7.467 7.467 7.421 0.045 19522 356 1 . 1 1 134 134 PHE N N 134 112.847 112.847 117.414 -4.567 19522 357 1 . 1 1 134 134 PHE C C 134 176.258 176.258 177.216 -0.958 19522 358 1 . 1 1 134 134 PHE CA C 134 56.539 56.539 59.882 -3.343 19522 359 1 . 1 1 134 134 PHE CB C 134 37.863 37.863 38.279 -0.416 19522 360 1 . 1 1 134 134 PHE H H 134 6.926 6.926 7.342 -0.416 19522 361 1 . 1 1 135 135 ARG N N 135 123.664 123.664 117.839 5.825 19522 362 1 . 1 1 135 135 ARG C C 135 176.957 176.957 176.539 0.418 19522 363 1 . 1 1 135 135 ARG CA C 135 58.937 58.937 57.941 0.996 19522 364 1 . 1 1 135 135 ARG CB C 135 28.011 28.011 30.409 -2.398 19522 365 1 . 1 1 135 135 ARG H H 135 7.144 7.144 7.723 -0.579 19522 366 1 . 1 1 136 136 ASP N N 136 116.448 116.448 116.181 0.267 19522 367 1 . 1 1 136 136 ASP C C 136 175.339 175.339 176.836 -1.497 19522 368 1 . 1 1 136 136 ASP CA C 136 53.343 53.343 54.342 -0.999 19522 369 1 . 1 1 136 136 ASP CB C 136 39.598 39.598 44.529 -4.931 19522 370 1 . 1 1 136 136 ASP H H 136 8.607 8.607 7.549 1.058 19522 371 1 . 1 1 137 137 GLY N N 137 108.506 108.506 109.083 -0.577 19522 372 1 . 1 1 137 137 GLY C C 137 172.324 172.324 173.851 -1.527 19522 373 1 . 1 1 137 137 GLY CA C 137 42.795 42.795 44.697 -1.902 19522 374 1 . 1 1 137 137 GLY H H 137 7.468 7.468 8.321 -0.853 19522 375 1 . 1 1 138 138 VAL N N 138 120.519 120.519 123.682 -3.163 19522 376 1 . 1 1 138 138 VAL C C 138 174.160 174.160 174.835 -0.675 19522 377 1 . 1 1 138 138 VAL CA C 138 61.893 61.893 61.691 0.202 19522 378 1 . 1 1 138 138 VAL CB C 138 30.808 30.808 29.596 1.212 19522 379 1 . 1 1 138 138 VAL H H 138 8.181 8.181 8.401 -0.220 19522 380 1 . 1 1 139 139 ASN N N 139 115.573 115.573 122.456 -6.883 19522 381 1 . 1 1 139 139 ASN C C 139 174.959 174.959 175.563 -0.604 19522 382 1 . 1 1 139 139 ASN CA C 139 51.025 51.025 51.591 -0.566 19522 383 1 . 1 1 139 139 ASN CB C 139 38.639 38.639 40.294 -1.655 19522 384 1 . 1 1 139 139 ASN H H 139 6.261 6.261 7.720 -1.458 19522 385 1 . 1 1 140 140 TRP N N 140 118.231 118.231 126.584 -8.353 19522 386 1 . 1 1 140 140 TRP C C 140 177.976 177.976 177.551 0.425 19522 387 1 . 1 1 140 140 TRP CA C 140 60.135 60.135 59.210 0.925 19522 388 1 . 1 1 140 140 TRP CB C 140 29.609 29.609 30.010 -0.401 19522 389 1 . 1 1 140 140 TRP H H 140 8.413 8.413 8.992 -0.579 19522 390 1 . 1 1 141 141 GLY N N 141 106.238 106.238 106.023 0.214 19522 391 1 . 1 1 141 141 GLY C C 141 177.297 177.297 175.512 1.785 19522 392 1 . 1 1 141 141 GLY CA C 141 46.471 46.471 46.148 0.323 19522 393 1 . 1 1 141 141 GLY H H 141 8.494 8.494 8.967 -0.473 19522 394 1 . 1 1 142 142 ARG N N 142 121.156 121.156 122.059 -0.903 19522 395 1 . 1 1 142 142 ARG C C 142 177.457 177.457 177.990 -0.533 19522 396 1 . 1 1 142 142 ARG CA C 142 57.498 57.498 57.498 -0.000 19522 397 1 . 1 1 142 142 ARG CB C 142 29.609 29.609 30.182 -0.573 19522 398 1 . 1 1 142 142 ARG H H 142 8.104 8.104 7.596 0.508 19522 399 1 . 1 1 143 143 ILE N N 143 120.888 120.888 120.202 0.686 19522 400 1 . 1 1 143 143 ILE C C 143 177.756 177.756 177.145 0.611 19522 401 1 . 1 1 143 143 ILE CA C 143 65.889 65.889 64.234 1.655 19522 402 1 . 1 1 143 143 ILE CB C 143 35.603 35.603 37.858 -2.255 19522 403 1 . 1 1 143 143 ILE H H 143 7.696 7.696 7.919 -0.223 19522 404 1 . 1 1 144 144 VAL N N 144 120.958 120.958 119.093 1.865 19522 405 1 . 1 1 144 144 VAL C C 144 177.557 177.557 177.641 -0.084 19522 406 1 . 1 1 144 144 VAL CA C 144 67.088 67.088 66.509 0.579 19522 407 1 . 1 1 144 144 VAL CB C 144 30.089 30.089 30.116 -0.027 19522 408 1 . 1 1 144 144 VAL H H 144 8.229 8.229 7.488 0.741 19522 409 1 . 1 1 145 145 ALA N N 145 121.229 121.229 122.768 -1.539 19522 410 1 . 1 1 145 145 ALA C C 145 177.999 177.999 179.000 -1.001 19522 411 1 . 1 1 145 145 ALA CA C 145 54.062 54.062 54.959 -0.897 19522 412 1 . 1 1 145 145 ALA CB C 145 16.983 16.983 18.180 -1.197 19522 413 1 . 1 1 145 145 ALA H H 145 7.579 7.579 7.494 0.085 19522 414 1 . 1 1 146 146 PHE N N 146 119.338 119.338 120.032 -0.694 19522 415 1 . 1 1 146 146 PHE C C 146 179.432 179.432 177.124 2.308 19522 416 1 . 1 1 146 146 PHE CA C 146 61.169 61.169 61.805 -0.636 19522 417 1 . 1 1 146 146 PHE CB C 146 37.863 37.863 39.012 -1.149 19522 418 1 . 1 1 146 146 PHE H H 146 7.985 7.985 8.197 -0.212 19522 419 1 . 1 1 147 147 PHE N N 147 119.900 119.900 117.491 2.409 19522 420 1 . 1 1 147 147 PHE C C 147 177.399 177.399 177.748 -0.349 19522 421 1 . 1 1 147 147 PHE CA C 147 59.119 59.119 61.859 -2.740 19522 422 1 . 1 1 147 147 PHE CB C 147 39.438 39.438 38.256 1.182 19522 423 1 . 1 1 147 147 PHE H H 147 7.824 7.824 8.347 -0.523 19522 424 1 . 1 1 148 148 SER N N 148 114.725 114.725 116.613 -1.888 19522 425 1 . 1 1 148 148 SER C C 148 177.357 177.357 176.240 1.117 19522 426 1 . 1 1 148 148 SER CA C 148 63.115 63.115 62.190 0.925 19522 427 1 . 1 1 148 148 SER CB C 148 61.893 61.893 62.324 -0.431 19522 428 1 . 1 1 148 148 SER H H 148 8.423 8.423 7.983 0.440 19522 429 1 . 1 1 149 149 PHE N N 149 124.361 124.361 121.365 2.996 19522 430 1 . 1 1 149 149 PHE C C 149 176.338 176.338 178.104 -1.766 19522 431 1 . 1 1 149 149 PHE CA C 149 59.336 59.336 61.352 -2.016 19522 432 1 . 1 1 149 149 PHE CB C 149 37.281 37.281 38.418 -1.137 19522 433 1 . 1 1 149 149 PHE H H 149 9.097 9.097 8.305 0.792 19522 434 1 . 1 1 150 150 GLY N N 150 105.935 105.935 105.986 -0.051 19522 435 1 . 1 1 150 150 GLY C C 150 176.398 176.398 176.189 0.209 19522 436 1 . 1 1 150 150 GLY CA C 150 47.030 47.030 46.710 0.320 19522 437 1 . 1 1 150 150 GLY H H 150 7.937 7.937 7.927 0.010 19522 438 1 . 1 1 151 151 GLY N N 151 107.449 107.449 110.104 -2.655 19522 439 1 . 1 1 151 151 GLY C C 151 174.300 174.300 175.812 -1.512 19522 440 1 . 1 1 151 151 GLY CA C 151 46.950 46.950 46.712 0.238 19522 441 1 . 1 1 151 151 GLY H H 151 8.803 8.803 8.393 0.410 19522 442 1 . 1 1 152 152 ALA N N 152 124.384 124.384 124.708 -0.324 19522 443 1 . 1 1 152 152 ALA C C 152 177.636 177.636 179.336 -1.700 19522 444 1 . 1 1 152 152 ALA CA C 152 54.142 54.142 54.643 -0.501 19522 445 1 . 1 1 152 152 ALA CB C 152 17.063 17.063 18.419 -1.356 19522 446 1 . 1 1 152 152 ALA H H 152 8.232 8.232 8.076 0.156 19522 447 1 . 1 1 153 153 LEU N N 153 118.871 118.871 120.048 -1.177 19522 448 1 . 1 1 153 153 LEU C C 153 179.937 179.937 178.656 1.281 19522 449 1 . 1 1 153 153 LEU CA C 153 56.588 56.588 57.607 -1.019 19522 450 1 . 1 1 153 153 LEU CB C 153 40.660 40.660 41.709 -1.049 19522 451 1 . 1 1 153 153 LEU H H 153 8.159 8.159 7.858 0.301 19522 452 1 . 1 1 154 154 CYS N N 154 118.554 118.554 118.542 0.012 19522 453 1 . 1 1 154 154 CYS C C 154 177.332 177.332 176.855 0.477 19522 454 1 . 1 1 154 154 CYS CA C 154 60.296 60.296 62.821 -2.525 19522 455 1 . 1 1 154 154 CYS CB C 154 25.237 25.237 26.407 -1.170 19522 456 1 . 1 1 154 154 CYS H H 154 8.049 8.049 8.481 -0.432 19522 457 1 . 1 1 155 155 VAL N N 155 118.474 118.474 121.921 -3.447 19522 458 1 . 1 1 155 155 VAL C C 155 175.723 175.723 178.459 -2.736 19522 459 1 . 1 1 155 155 VAL CA C 155 66.129 66.129 66.928 -0.799 19522 460 1 . 1 1 155 155 VAL CB C 155 30.728 30.728 30.829 -0.101 19522 461 1 . 1 1 155 155 VAL H H 155 8.016 8.016 7.496 0.520 19522 462 1 . 1 1 156 156 GLU N N 156 119.114 119.114 118.407 0.707 19522 463 1 . 1 1 156 156 GLU C C 156 178.036 178.036 179.008 -0.972 19522 464 1 . 1 1 156 156 GLU CA C 156 61.278 61.278 58.209 3.069 19522 465 1 . 1 1 156 156 GLU CB C 156 27.452 27.452 28.924 -1.472 19522 466 1 . 1 1 156 156 GLU H H 156 8.025 8.025 7.930 0.095 19522 467 1 . 1 1 157 157 SER N N 157 113.391 113.391 116.361 -2.970 19522 468 1 . 1 1 157 157 SER C C 157 175.299 175.299 176.165 -0.866 19522 469 1 . 1 1 157 157 SER CA C 157 62.373 62.373 62.247 0.126 19522 470 1 . 1 1 157 157 SER CB C 157 60.854 60.854 63.263 -2.409 19522 471 1 . 1 1 157 157 SER H H 157 7.629 7.629 7.841 -0.212 19522 472 1 . 1 1 158 158 VAL N N 158 120.493 120.493 121.246 -0.753 19522 473 1 . 1 1 158 158 VAL C C 158 173.977 173.977 177.457 -3.480 19522 474 1 . 1 1 158 158 VAL CA C 158 65.729 65.729 64.449 1.280 19522 475 1 . 1 1 158 158 VAL CB C 158 29.609 29.609 31.005 -1.396 19522 476 1 . 1 1 158 158 VAL H H 158 7.374 7.374 7.550 -0.176 19522 477 1 . 1 1 159 159 ASP N N 159 123.215 123.215 121.797 1.418 19522 478 1 . 1 1 159 159 ASP C C 159 177.696 177.696 177.584 0.112 19522 479 1 . 1 1 159 159 ASP CA C 159 56.619 56.619 56.649 -0.030 19522 480 1 . 1 1 159 159 ASP CB C 159 39.918 39.918 40.963 -1.045 19522 481 1 . 1 1 159 159 ASP H H 159 8.309 8.309 8.369 -0.060 19522 482 1 . 1 1 160 160 LYS N N 160 115.648 115.648 118.082 -2.434 19522 483 1 . 1 1 160 160 LYS C C 160 174.839 174.839 175.522 -0.683 19522 484 1 . 1 1 160 160 LYS CA C 160 55.101 55.101 55.738 -0.637 19522 485 1 . 1 1 160 160 LYS CB C 160 30.488 30.488 32.971 -2.483 19522 486 1 . 1 1 160 160 LYS H H 160 7.541 7.541 7.467 0.074 19522 487 1 . 1 1 161 161 GLU N N 161 113.911 113.911 118.121 -4.210 19522 488 1 . 1 1 161 161 GLU C C 161 175.781 175.781 176.552 -0.771 19522 489 1 . 1 1 161 161 GLU CA C 161 56.779 56.779 58.169 -1.390 19522 490 1 . 1 1 161 161 GLU CB C 161 25.054 25.054 28.035 -2.981 19522 491 1 . 1 1 161 161 GLU H H 161 7.842 7.842 7.976 -0.134 19522 492 1 . 1 1 162 162 MET N N 162 118.882 118.882 116.783 2.099 19522 493 1 . 1 1 162 162 MET C C 162 176.597 176.597 177.313 -0.716 19522 494 1 . 1 1 162 162 MET CA C 162 52.646 52.646 57.309 -4.663 19522 495 1 . 1 1 162 162 MET CB C 162 30.488 30.488 33.820 -3.332 19522 496 1 . 1 1 162 162 MET H H 162 8.420 8.420 8.545 -0.125 19522 497 1 . 1 1 163 163 GLN N N 163 119.366 119.366 117.530 1.836 19522 498 1 . 1 1 163 163 GLN C C 163 177.397 177.397 177.024 0.373 19522 499 1 . 1 1 163 163 GLN CA C 163 59.176 59.176 58.549 0.627 19522 500 1 . 1 1 163 163 GLN CB C 163 26.093 26.093 27.127 -1.034 19522 501 1 . 1 1 163 163 GLN H H 163 8.615 8.615 8.154 0.461 19522 502 1 . 1 1 164 164 VAL N N 164 116.957 116.957 120.617 -3.660 19522 503 1 . 1 1 164 164 VAL C C 164 175.459 175.459 177.487 -2.028 19522 504 1 . 1 1 164 164 VAL CA C 164 62.852 62.852 65.718 -2.866 19522 505 1 . 1 1 164 164 VAL CB C 164 30.089 30.089 31.380 -1.291 19522 506 1 . 1 1 164 164 VAL H H 164 7.938 7.938 8.054 -0.116 19522 507 1 . 1 1 165 165 LEU N N 165 117.124 117.124 119.418 -2.294 19522 508 1 . 1 1 165 165 LEU C C 165 177.714 177.714 178.347 -0.633 19522 509 1 . 1 1 165 165 LEU CA C 165 55.683 55.683 58.091 -2.408 19522 510 1 . 1 1 165 165 LEU CB C 165 39.678 39.678 41.883 -2.205 19522 511 1 . 1 1 165 165 LEU H H 165 7.741 7.741 7.694 0.047 19522 512 1 . 1 1 166 166 VAL N N 166 119.434 119.434 118.072 1.362 19522 513 1 . 1 1 166 166 VAL C C 166 176.817 176.817 178.030 -1.213 19522 514 1 . 1 1 166 166 VAL CA C 166 66.848 66.848 65.449 1.399 19522 515 1 . 1 1 166 166 VAL CB C 166 29.370 29.370 31.144 -1.774 19522 516 1 . 1 1 166 166 VAL H H 166 7.342 7.342 7.972 -0.630 19522 517 1 . 1 1 167 167 SER N N 167 110.775 110.775 116.094 -5.319 19522 518 1 . 1 1 167 167 SER C C 167 176.737 176.737 176.428 0.309 19522 519 1 . 1 1 167 167 SER CA C 167 60.215 60.215 61.842 -1.627 19522 520 1 . 1 1 167 167 SER CB C 167 61.654 61.654 62.625 -0.971 19522 521 1 . 1 1 167 167 SER H H 167 8.099 8.099 8.516 -0.417 19522 522 1 . 1 1 168 168 ARG N N 168 122.916 122.916 120.267 2.649 19522 523 1 . 1 1 168 168 ARG C C 168 175.439 175.439 177.765 -2.326 19522 524 1 . 1 1 168 168 ARG CA C 168 60.615 60.615 57.121 3.494 19522 525 1 . 1 1 168 168 ARG CB C 168 28.011 28.011 30.210 -2.199 19522 526 1 . 1 1 168 168 ARG H H 168 6.596 6.596 7.608 -1.012 19522 527 1 . 1 1 169 169 ILE N N 169 118.335 118.335 120.906 -2.571 19522 528 1 . 1 1 169 169 ILE C C 169 177.779 177.779 177.686 0.093 19522 529 1 . 1 1 169 169 ILE CA C 169 64.131 64.131 65.571 -1.440 19522 530 1 . 1 1 169 169 ILE CB C 169 36.961 36.961 37.704 -0.743 19522 531 1 . 1 1 169 169 ILE H H 169 7.928 7.928 7.813 0.115 19522 532 1 . 1 1 170 170 ALA N N 170 119.271 119.271 121.120 -1.849 19522 533 1 . 1 1 170 170 ALA C C 170 179.195 179.195 179.158 0.037 19522 534 1 . 1 1 170 170 ALA CA C 170 53.902 53.902 55.442 -1.540 19522 535 1 . 1 1 170 170 ALA CB C 170 16.824 16.824 17.834 -1.010 19522 536 1 . 1 1 170 170 ALA H H 170 7.672 7.672 8.172 -0.500 19522 537 1 . 1 1 171 171 ALA N N 171 120.393 120.393 121.813 -1.420 19522 538 1 . 1 1 171 171 ALA C C 171 180.833 180.833 179.550 1.283 19522 539 1 . 1 1 171 171 ALA CA C 171 54.142 54.142 54.566 -0.424 19522 540 1 . 1 1 171 171 ALA CB C 171 16.504 16.504 17.763 -1.259 19522 541 1 . 1 1 171 171 ALA H H 171 7.258 7.258 7.383 -0.125 19522 542 1 . 1 1 172 172 TRP N N 172 121.501 121.501 118.579 2.922 19522 543 1 . 1 1 172 172 TRP C C 172 179.350 179.350 178.518 0.832 19522 544 1 . 1 1 172 172 TRP CA C 172 57.019 57.019 59.041 -2.021 19522 545 1 . 1 1 172 172 TRP CB C 172 27.292 27.292 28.656 -1.364 19522 546 1 . 1 1 172 172 TRP H H 172 8.936 8.936 7.695 1.241 19522 547 1 . 1 1 173 173 MET N N 173 117.211 117.211 119.669 -2.459 19522 548 1 . 1 1 173 173 MET C C 173 176.158 176.158 178.252 -2.094 19522 549 1 . 1 1 173 173 MET CA C 173 60.238 60.238 59.305 0.933 19522 550 1 . 1 1 173 173 MET CB C 173 28.833 28.833 32.934 -4.101 19522 551 1 . 1 1 173 173 MET H H 173 8.885 8.885 8.652 0.233 19522 552 1 . 1 1 174 174 ALA N N 174 120.901 120.901 120.619 0.282 19522 553 1 . 1 1 174 174 ALA C C 174 178.875 178.875 179.555 -0.680 19522 554 1 . 1 1 174 174 ALA CA C 174 54.861 54.861 55.510 -0.649 19522 555 1 . 1 1 174 174 ALA CB C 174 16.687 16.687 18.055 -1.368 19522 556 1 . 1 1 174 174 ALA H H 174 8.206 8.206 8.369 -0.163 19522 557 1 . 1 1 175 175 THR N N 175 116.591 116.591 116.863 -0.272 19522 558 1 . 1 1 175 175 THR C C 175 174.782 174.782 176.693 -1.911 19522 559 1 . 1 1 175 175 THR CA C 175 66.209 66.209 66.761 -0.552 19522 560 1 . 1 1 175 175 THR CB C 175 68.046 68.046 68.675 -0.629 19522 561 1 . 1 1 175 175 THR H H 175 8.530 8.530 7.783 0.747 19522 562 1 . 1 1 176 176 TYR N N 176 123.375 123.375 123.127 0.248 19522 563 1 . 1 1 176 176 TYR C C 176 179.255 179.255 177.216 2.039 19522 564 1 . 1 1 176 176 TYR CA C 176 62.373 62.373 60.747 1.626 19522 565 1 . 1 1 176 176 TYR CB C 176 37.863 37.863 38.746 -0.884 19522 566 1 . 1 1 176 176 TYR H H 176 8.822 8.822 8.333 0.489 19522 567 1 . 1 1 177 177 LEU N N 177 119.511 119.511 121.579 -2.068 19522 568 1 . 1 1 177 177 LEU C C 177 177.979 177.979 178.284 -0.305 19522 569 1 . 1 1 177 177 LEU CA C 177 58.457 58.457 58.528 -0.071 19522 570 1 . 1 1 177 177 LEU CB C 177 41.276 41.276 41.855 -0.579 19522 571 1 . 1 1 177 177 LEU H H 177 8.759 8.759 8.710 0.049 19522 572 1 . 1 1 178 178 ASN N N 178 117.233 117.233 116.454 0.779 19522 573 1 . 1 1 178 178 ASN C C 178 176.021 176.021 176.757 -0.736 19522 574 1 . 1 1 178 178 ASN CA C 178 55.843 55.843 56.014 -0.171 19522 575 1 . 1 1 178 178 ASN CB C 178 38.103 38.103 38.437 -0.334 19522 576 1 . 1 1 178 178 ASN H H 178 8.333 8.333 7.896 0.437 19522 577 1 . 1 1 179 179 ASP N N 179 115.264 115.264 118.982 -3.717 19522 578 1 . 1 1 179 179 ASP C C 179 177.557 177.557 176.912 0.645 19522 579 1 . 1 1 179 179 ASP CA C 179 55.900 55.900 56.681 -0.781 19522 580 1 . 1 1 179 179 ASP CB C 179 39.279 39.279 41.419 -2.140 19522 581 1 . 1 1 179 179 ASP H H 179 8.451 8.451 7.886 0.565 19522 582 1 . 1 1 180 180 HIS N N 180 111.728 111.728 115.612 -3.884 19522 583 1 . 1 1 180 180 HIS C C 180 175.479 175.479 176.815 -1.336 19522 584 1 . 1 1 180 180 HIS CA C 180 55.421 55.421 56.801 -1.380 19522 585 1 . 1 1 180 180 HIS CB C 180 29.609 29.609 32.284 -2.675 19522 586 1 . 1 1 180 180 HIS H H 180 8.073 8.073 7.758 0.315 19522 587 1 . 1 1 181 181 LEU N N 181 116.833 116.833 121.744 -4.911 19522 588 1 . 1 1 181 181 LEU C C 181 176.160 176.160 178.552 -2.392 19522 589 1 . 1 1 181 181 LEU CA C 181 55.021 55.021 58.846 -3.825 19522 590 1 . 1 1 181 181 LEU CB C 181 41.756 41.756 41.920 -0.164 19522 591 1 . 1 1 181 181 LEU H H 181 7.183 7.183 7.642 -0.459 19522 592 1 . 1 1 182 182 GLU N N 182 121.364 121.364 118.573 2.791 19522 593 1 . 1 1 182 182 GLU CA C 182 61.014 61.014 61.719 -0.705 19522 594 1 . 1 1 182 182 GLU CB C 182 25.956 25.956 27.622 -1.666 19522 595 1 . 1 1 182 182 GLU H H 182 8.596 8.596 8.783 -0.187 19522 596 1 . 1 1 184 184 TRP N N 184 117.804 117.804 119.664 -1.860 19522 597 1 . 1 1 184 184 TRP C C 184 179.217 179.217 177.797 1.420 19522 598 1 . 1 1 184 184 TRP CA C 184 65.672 65.672 59.451 6.221 19522 599 1 . 1 1 184 184 TRP CB C 184 29.073 29.073 30.055 -0.982 19522 600 1 . 1 1 184 184 TRP H H 184 7.070 7.070 7.695 -0.625 19522 601 1 . 1 1 185 185 ILE N N 185 121.825 121.825 119.463 2.362 19522 602 1 . 1 1 185 185 ILE C C 185 178.655 178.655 178.353 0.302 19522 603 1 . 1 1 185 185 ILE CA C 185 65.272 65.272 65.049 0.223 19522 604 1 . 1 1 185 185 ILE CB C 185 35.945 35.945 37.903 -1.958 19522 605 1 . 1 1 185 185 ILE H H 185 8.396 8.396 8.460 -0.063 19522 606 1 . 1 1 186 186 GLN N N 186 116.489 116.489 116.423 0.066 19522 607 1 . 1 1 186 186 GLN C C 186 179.035 179.035 176.472 2.563 19522 608 1 . 1 1 186 186 GLN CA C 186 57.818 57.818 57.249 0.569 19522 609 1 . 1 1 186 186 GLN CB C 186 26.813 26.813 27.886 -1.073 19522 610 1 . 1 1 186 186 GLN H H 186 8.374 8.374 7.852 0.522 19522 611 1 . 1 1 187 187 GLU N N 187 118.764 118.764 119.302 -0.538 19522 612 1 . 1 1 187 187 GLU C C 187 176.458 176.458 177.335 -0.877 19522 613 1 . 1 1 187 187 GLU CA C 187 57.019 57.019 56.938 0.081 19522 614 1 . 1 1 187 187 GLU CB C 187 28.411 28.411 30.673 -2.262 19522 615 1 . 1 1 187 187 GLU H H 187 7.515 7.515 7.677 -0.162 19522 616 1 . 1 1 188 188 ASN N N 188 116.561 116.561 116.733 -0.172 19522 617 1 . 1 1 188 188 ASN C C 188 173.620 173.620 174.700 -1.080 19522 618 1 . 1 1 188 188 ASN CA C 188 52.863 52.863 53.242 -0.379 19522 619 1 . 1 1 188 188 ASN CB C 188 36.721 36.721 39.717 -2.996 19522 620 1 . 1 1 188 188 ASN H H 188 7.092 7.092 7.837 -0.745 19522 621 1 . 1 1 189 189 GLY N N 189 104.897 104.897 104.802 0.095 19522 622 1 . 1 1 189 189 GLY C C 189 175.658 175.658 172.917 2.740 19522 623 1 . 1 1 189 189 GLY CA C 189 44.792 44.792 44.487 0.305 19522 624 1 . 1 1 189 189 GLY H H 189 7.339 7.339 7.305 0.034 19522 625 1 . 1 1 190 190 GLY N N 190 108.292 108.292 108.958 -0.666 19522 626 1 . 1 1 190 190 GLY C C 190 173.021 173.021 174.741 -1.720 19522 627 1 . 1 1 190 190 GLY CA C 190 43.354 43.354 45.190 -1.836 19522 628 1 . 1 1 190 190 GLY H H 190 8.462 8.462 9.264 -0.802 19522 629 1 . 1 1 191 191 TRP N N 191 118.031 118.031 121.492 -3.461 19522 630 1 . 1 1 191 191 TRP C C 191 178.136 178.136 177.251 0.885 19522 631 1 . 1 1 191 191 TRP CA C 191 59.416 59.416 60.150 -0.734 19522 632 1 . 1 1 191 191 TRP CB C 191 28.650 28.650 29.010 -0.360 19522 633 1 . 1 1 191 191 TRP H H 191 8.673 8.673 8.395 0.278 19522 634 1 . 1 1 192 192 ASP N N 192 117.298 117.298 118.877 -1.579 19522 635 1 . 1 1 192 192 ASP C C 192 179.058 179.058 177.735 1.323 19522 636 1 . 1 1 192 192 ASP CA C 192 56.859 56.859 56.346 0.514 19522 637 1 . 1 1 192 192 ASP CB C 192 39.279 39.279 39.510 -0.231 19522 638 1 . 1 1 192 192 ASP H H 192 8.846 8.846 7.968 0.878 19522 639 1 . 1 1 193 193 THR N N 193 116.061 116.061 114.497 1.564 19522 640 1 . 1 1 193 193 THR C C 193 174.979 174.979 176.089 -1.110 19522 641 1 . 1 1 193 193 THR CA C 193 65.649 65.649 64.564 1.085 19522 642 1 . 1 1 193 193 THR CB C 193 67.327 67.327 68.363 -1.036 19522 643 1 . 1 1 193 193 THR H H 193 7.431 7.431 7.419 0.012 19522 644 1 . 1 1 194 194 PHE N N 194 121.789 121.789 122.797 -1.008 19522 645 1 . 1 1 194 194 PHE C C 194 176.418 176.418 177.106 -0.688 19522 646 1 . 1 1 194 194 PHE CA C 194 61.014 61.014 61.022 -0.008 19522 647 1 . 1 1 194 194 PHE CB C 194 36.881 36.881 39.247 -2.366 19522 648 1 . 1 1 194 194 PHE H H 194 6.527 6.527 8.109 -1.582 19522 649 1 . 1 1 195 195 VAL N N 195 116.988 116.988 118.238 -1.250 19522 650 1 . 1 1 195 195 VAL C C 195 178.078 178.078 178.010 0.068 19522 651 1 . 1 1 195 195 VAL CA C 195 65.752 65.752 66.123 -0.371 19522 652 1 . 1 1 195 195 VAL CB C 195 30.488 30.488 30.635 -0.147 19522 653 1 . 1 1 195 195 VAL H H 195 7.747 7.747 8.172 -0.425 19522 654 1 . 1 1 196 196 GLU N N 196 120.171 120.171 119.295 0.876 19522 655 1 . 1 1 196 196 GLU C C 196 177.976 177.976 178.083 -0.107 19522 656 1 . 1 1 196 196 GLU CA C 196 58.320 58.320 59.226 -0.906 19522 657 1 . 1 1 196 196 GLU CB C 196 28.673 28.673 29.208 -0.535 19522 658 1 . 1 1 196 196 GLU H H 196 7.497 7.497 7.835 -0.338 19522 659 1 . 1 1 197 197 LEU N N 197 117.210 117.210 113.643 3.567 19522 660 1 . 1 1 197 197 LEU C C 197 178.376 178.376 176.655 1.721 19522 661 1 . 1 1 197 197 LEU CA C 197 55.900 55.900 55.302 0.598 19522 662 1 . 1 1 197 197 LEU CB C 197 42.395 42.395 41.569 0.826 19522 663 1 . 1 1 197 197 LEU H H 197 7.626 7.626 7.362 0.265 19522 664 1 . 1 1 198 198 TYR N N 198 115.681 115.681 120.452 -4.771 19522 665 1 . 1 1 198 198 TYR C C 198 176.577 176.577 176.531 0.047 19522 666 1 . 1 1 198 198 TYR CA C 198 58.377 58.377 59.244 -0.866 19522 667 1 . 1 1 198 198 TYR CB C 198 37.521 37.521 40.086 -2.565 19522 668 1 . 1 1 198 198 TYR H H 198 8.081 8.081 7.640 0.441 19522 669 1 . 1 1 199 199 GLY N N 199 108.201 108.201 106.136 2.065 19522 670 1 . 1 1 199 199 GLY C C 199 173.640 173.640 174.976 -1.336 19522 671 1 . 1 1 199 199 GLY CA C 199 44.553 44.553 45.362 -0.809 19522 672 1 . 1 1 199 199 GLY H H 199 8.032 8.032 8.160 -0.128 19522 673 1 . 1 1 200 200 ASN N N 200 118.385 118.385 118.697 -0.312 19522 674 1 . 1 1 200 200 ASN C C 200 175.081 175.081 174.170 0.911 19522 675 1 . 1 1 200 200 ASN CA C 200 52.784 52.784 52.913 -0.129 19522 676 1 . 1 1 200 200 ASN CB C 200 37.441 37.441 39.339 -1.898 19522 677 1 . 1 1 200 200 ASN H H 200 8.300 8.300 8.104 0.196 19522 stop_ save_