data_19602 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19602 _Entry.PDB_ID 2MGT 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 19602 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 123.820 123.820 125.058 -1.238 19602 2 1 1 . 1 1 2 2 ALA HA H 2 4.231 4.231 3.932 0.299 19602 3 1 1 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.853 -1.832 19602 4 1 1 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.126 -0.220 19602 5 1 1 . 1 1 2 2 ALA H H 2 8.496 8.496 8.544 -0.048 19602 6 1 1 . 1 1 3 3 GLU N N 3 119.340 119.340 118.100 1.240 19602 7 1 1 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.122 0.021 19602 8 1 1 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.594 -1.703 19602 9 1 1 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.543 0.350 19602 10 1 1 . 1 1 3 3 GLU H H 3 8.369 8.369 8.588 -0.219 19602 11 1 1 . 1 1 4 4 PHE N N 4 121.000 121.000 114.614 6.386 19602 12 1 1 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.945 -0.387 19602 13 1 1 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.323 1.588 19602 14 1 1 . 1 1 4 4 PHE CB C 4 39.269 39.269 40.609 -1.340 19602 15 1 1 . 1 1 4 4 PHE H H 4 8.183 8.183 7.307 0.876 19602 16 1 1 . 1 1 5 5 ARG N N 5 123.140 123.140 122.660 0.480 19602 17 1 1 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.117 0.105 19602 18 1 1 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.054 0.887 19602 19 1 1 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.482 3.244 19602 20 1 1 . 1 1 5 5 ARG H H 5 8.202 8.202 7.295 0.907 19602 21 1 1 . 1 1 6 6 ARG N N 6 122.830 122.830 121.024 1.806 19602 22 1 1 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.605 -0.357 19602 23 1 1 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.302 1.733 19602 24 1 1 . 1 1 6 6 ARG CB C 6 30.604 30.604 31.692 -1.087 19602 25 1 1 . 1 1 6 6 ARG H H 6 8.114 8.114 7.850 0.264 19602 26 1 1 . 1 1 7 7 ASP N N 7 121.190 121.190 122.864 -1.674 19602 27 1 1 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.654 -0.019 19602 28 1 1 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.206 -1.990 19602 29 1 1 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.703 0.478 19602 30 1 1 . 1 1 7 7 ASP H H 7 8.500 8.500 8.714 -0.214 19602 31 1 1 . 1 1 8 8 SER N N 8 116.370 116.370 114.837 1.533 19602 32 1 1 . 1 1 8 8 SER HA H 8 4.377 4.377 4.484 -0.107 19602 33 1 1 . 1 1 8 8 SER CA C 8 58.958 58.958 57.962 0.996 19602 34 1 1 . 1 1 8 8 SER CB C 8 63.528 63.528 63.331 0.197 19602 35 1 1 . 1 1 8 8 SER H H 8 8.436 8.436 8.168 0.268 19602 36 1 1 . 1 1 9 9 GLY N N 9 110.690 110.690 109.609 1.081 19602 37 1 1 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.214 0.039 19602 38 1 1 . 1 1 9 9 GLY H H 9 8.586 8.586 7.899 0.687 19602 39 1 1 . 1 1 10 10 TYR N N 10 120.180 120.180 118.699 1.481 19602 40 1 1 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.700 -0.199 19602 41 1 1 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.157 1.094 19602 42 1 1 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.592 -1.842 19602 43 1 1 . 1 1 10 10 TYR H H 10 8.042 8.042 8.008 0.034 19602 44 1 1 . 1 1 11 11 GLU N N 11 122.600 122.600 125.473 -2.873 19602 45 1 1 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.764 -0.770 19602 46 1 1 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.700 0.772 19602 47 1 1 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.073 -0.830 19602 48 1 1 . 1 1 11 11 GLU H H 11 8.455 8.455 9.111 -0.656 19602 49 1 1 . 1 1 12 12 VAL N N 12 121.210 121.210 128.500 -7.290 19602 50 1 1 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.416 0.516 19602 51 1 1 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.072 -2.346 19602 52 1 1 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.806 0.655 19602 53 1 1 . 1 1 12 12 VAL H H 12 8.153 8.153 8.753 -0.600 19602 54 1 1 . 1 1 13 13 HIS N N 13 122.230 122.230 118.568 3.662 19602 55 1 1 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.207 0.422 19602 56 1 1 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.058 -2.250 19602 57 1 1 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.412 0.839 19602 58 1 1 . 1 1 13 13 HIS H H 13 8.406 8.406 8.603 -0.197 19602 59 1 1 . 1 1 14 14 HIS N N 14 121.110 121.110 114.845 6.265 19602 60 1 1 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.828 -0.235 19602 61 1 1 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.567 -0.512 19602 62 1 1 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.811 -0.443 19602 63 1 1 . 1 1 14 14 HIS H H 14 8.348 8.348 7.674 0.674 19602 64 1 1 . 1 1 15 15 GLN N N 15 122.170 122.170 119.167 3.003 19602 65 1 1 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.650 -0.343 19602 66 1 1 . 1 1 15 15 GLN CA C 15 55.729 55.729 54.196 1.533 19602 67 1 1 . 1 1 15 15 GLN CB C 15 29.224 29.224 32.254 -3.030 19602 68 1 1 . 1 1 15 15 GLN H H 15 8.573 8.573 7.751 0.822 19602 69 1 2 . 1 1 2 2 ALA N N 2 123.820 123.820 126.133 -2.313 19602 70 1 2 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.013 0.218 19602 71 1 2 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.850 -1.829 19602 72 1 2 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.049 -0.143 19602 73 1 2 . 1 1 2 2 ALA H H 2 8.496 8.496 8.576 -0.080 19602 74 1 2 . 1 1 3 3 GLU N N 3 119.340 119.340 116.016 3.324 19602 75 1 2 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.054 0.089 19602 76 1 2 . 1 1 3 3 GLU CA C 3 56.891 56.891 57.865 -0.974 19602 77 1 2 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.270 0.623 19602 78 1 2 . 1 1 3 3 GLU H H 3 8.369 8.369 8.139 0.230 19602 79 1 2 . 1 1 4 4 PHE N N 4 121.000 121.000 115.847 5.153 19602 80 1 2 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.598 -0.040 19602 81 1 2 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.871 1.040 19602 82 1 2 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.824 -0.555 19602 83 1 2 . 1 1 4 4 PHE H H 4 8.183 8.183 7.193 0.990 19602 84 1 2 . 1 1 5 5 ARG N N 5 123.140 123.140 121.128 2.012 19602 85 1 2 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.196 0.026 19602 86 1 2 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.918 1.023 19602 87 1 2 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.613 3.113 19602 88 1 2 . 1 1 5 5 ARG H H 5 8.202 8.202 7.858 0.344 19602 89 1 2 . 1 1 6 6 ARG N N 6 122.830 122.830 120.995 1.835 19602 90 1 2 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.560 -0.312 19602 91 1 2 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.669 1.366 19602 92 1 2 . 1 1 6 6 ARG CB C 6 30.604 30.604 31.228 -0.624 19602 93 1 2 . 1 1 6 6 ARG H H 6 8.114 8.114 7.955 0.159 19602 94 1 2 . 1 1 7 7 ASP N N 7 121.190 121.190 122.010 -0.820 19602 95 1 2 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.541 0.094 19602 96 1 2 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.170 -1.954 19602 97 1 2 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.807 0.374 19602 98 1 2 . 1 1 7 7 ASP H H 7 8.500 8.500 8.560 -0.060 19602 99 1 2 . 1 1 8 8 SER N N 8 116.370 116.370 117.347 -0.977 19602 100 1 2 . 1 1 8 8 SER HA H 8 4.377 4.377 4.444 -0.067 19602 101 1 2 . 1 1 8 8 SER CA C 8 58.958 58.958 57.930 1.028 19602 102 1 2 . 1 1 8 8 SER CB C 8 63.528 63.528 62.663 0.865 19602 103 1 2 . 1 1 8 8 SER H H 8 8.436 8.436 8.357 0.079 19602 104 1 2 . 1 1 9 9 GLY N N 9 110.690 110.690 111.372 -0.682 19602 105 1 2 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.316 -0.063 19602 106 1 2 . 1 1 9 9 GLY H H 9 8.586 8.586 7.796 0.790 19602 107 1 2 . 1 1 10 10 TYR N N 10 120.180 120.180 119.514 0.666 19602 108 1 2 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.644 -0.142 19602 109 1 2 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.713 0.538 19602 110 1 2 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.385 -1.635 19602 111 1 2 . 1 1 10 10 TYR H H 10 8.042 8.042 8.079 -0.037 19602 112 1 2 . 1 1 11 11 GLU N N 11 122.600 122.600 124.054 -1.454 19602 113 1 2 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.731 -0.737 19602 114 1 2 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.953 0.519 19602 115 1 2 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.184 -0.941 19602 116 1 2 . 1 1 11 11 GLU H H 11 8.455 8.455 8.990 -0.535 19602 117 1 2 . 1 1 12 12 VAL N N 12 121.210 121.210 126.205 -4.995 19602 118 1 2 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.598 0.334 19602 119 1 2 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.380 -1.654 19602 120 1 2 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.195 1.266 19602 121 1 2 . 1 1 12 12 VAL H H 12 8.153 8.153 8.677 -0.524 19602 122 1 2 . 1 1 13 13 HIS N N 13 122.230 122.230 118.600 3.630 19602 123 1 2 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.199 0.430 19602 124 1 2 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.207 -2.399 19602 125 1 2 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.215 1.036 19602 126 1 2 . 1 1 13 13 HIS H H 13 8.406 8.406 8.184 0.222 19602 127 1 2 . 1 1 14 14 HIS N N 14 121.110 121.110 116.448 4.662 19602 128 1 2 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.736 -0.143 19602 129 1 2 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.165 -0.110 19602 130 1 2 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.083 0.285 19602 131 1 2 . 1 1 14 14 HIS H H 14 8.348 8.348 7.791 0.557 19602 132 1 2 . 1 1 15 15 GLN N N 15 122.170 122.170 120.007 2.163 19602 133 1 2 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.220 0.087 19602 134 1 2 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.614 -0.885 19602 135 1 2 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.173 0.051 19602 136 1 2 . 1 1 15 15 GLN H H 15 8.573 8.573 7.688 0.885 19602 137 1 3 . 1 1 2 2 ALA N N 2 123.820 123.820 122.753 1.067 19602 138 1 3 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.127 0.104 19602 139 1 3 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.918 -1.897 19602 140 1 3 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.875 0.031 19602 141 1 3 . 1 1 2 2 ALA H H 2 8.496 8.496 8.665 -0.169 19602 142 1 3 . 1 1 3 3 GLU N N 3 119.340 119.340 117.920 1.420 19602 143 1 3 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.936 0.207 19602 144 1 3 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.191 -1.300 19602 145 1 3 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.815 1.078 19602 146 1 3 . 1 1 3 3 GLU H H 3 8.369 8.369 8.351 0.018 19602 147 1 3 . 1 1 4 4 PHE N N 4 121.000 121.000 116.399 4.601 19602 148 1 3 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.680 -0.122 19602 149 1 3 . 1 1 4 4 PHE CA C 4 57.911 57.911 58.179 -0.268 19602 150 1 3 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.966 -0.697 19602 151 1 3 . 1 1 4 4 PHE H H 4 8.183 8.183 7.645 0.538 19602 152 1 3 . 1 1 5 5 ARG N N 5 123.140 123.140 118.736 4.404 19602 153 1 3 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.087 0.135 19602 154 1 3 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.478 0.463 19602 155 1 3 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.839 1.887 19602 156 1 3 . 1 1 5 5 ARG H H 5 8.202 8.202 7.459 0.743 19602 157 1 3 . 1 1 6 6 ARG N N 6 122.830 122.830 119.406 3.424 19602 158 1 3 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.350 -0.102 19602 159 1 3 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.831 0.204 19602 160 1 3 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.274 0.330 19602 161 1 3 . 1 1 6 6 ARG H H 6 8.114 8.114 7.700 0.414 19602 162 1 3 . 1 1 7 7 ASP N N 7 121.190 121.190 124.289 -3.099 19602 163 1 3 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.558 0.077 19602 164 1 3 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.068 -1.852 19602 165 1 3 . 1 1 7 7 ASP CB C 7 41.181 41.181 41.004 0.177 19602 166 1 3 . 1 1 7 7 ASP H H 7 8.500 8.500 8.759 -0.259 19602 167 1 3 . 1 1 8 8 SER N N 8 116.370 116.370 114.627 1.743 19602 168 1 3 . 1 1 8 8 SER HA H 8 4.377 4.377 4.315 0.062 19602 169 1 3 . 1 1 8 8 SER CA C 8 58.958 58.958 58.727 0.231 19602 170 1 3 . 1 1 8 8 SER CB C 8 63.528 63.528 63.442 0.086 19602 171 1 3 . 1 1 8 8 SER H H 8 8.436 8.436 8.434 0.002 19602 172 1 3 . 1 1 9 9 GLY N N 9 110.690 110.690 108.696 1.994 19602 173 1 3 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.255 -0.002 19602 174 1 3 . 1 1 9 9 GLY H H 9 8.586 8.586 7.845 0.741 19602 175 1 3 . 1 1 10 10 TYR N N 10 120.180 120.180 119.006 1.174 19602 176 1 3 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.680 -0.179 19602 177 1 3 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.620 0.631 19602 178 1 3 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.484 -1.734 19602 179 1 3 . 1 1 10 10 TYR H H 10 8.042 8.042 8.096 -0.054 19602 180 1 3 . 1 1 11 11 GLU N N 11 122.600 122.600 127.342 -4.742 19602 181 1 3 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.877 -0.883 19602 182 1 3 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.801 0.671 19602 183 1 3 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.362 -0.119 19602 184 1 3 . 1 1 11 11 GLU H H 11 8.455 8.455 9.115 -0.660 19602 185 1 3 . 1 1 12 12 VAL N N 12 121.210 121.210 126.472 -5.262 19602 186 1 3 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.507 0.425 19602 187 1 3 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.275 -2.549 19602 188 1 3 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.493 0.968 19602 189 1 3 . 1 1 12 12 VAL H H 12 8.153 8.153 8.741 -0.588 19602 190 1 3 . 1 1 13 13 HIS N N 13 122.230 122.230 119.452 2.778 19602 191 1 3 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.182 0.447 19602 192 1 3 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.462 -2.654 19602 193 1 3 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.411 0.840 19602 194 1 3 . 1 1 13 13 HIS H H 13 8.406 8.406 8.581 -0.175 19602 195 1 3 . 1 1 14 14 HIS N N 14 121.110 121.110 115.091 6.019 19602 196 1 3 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.476 0.117 19602 197 1 3 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.095 -1.040 19602 198 1 3 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.698 -0.330 19602 199 1 3 . 1 1 14 14 HIS H H 14 8.348 8.348 8.006 0.342 19602 200 1 3 . 1 1 15 15 GLN N N 15 122.170 122.170 117.861 4.309 19602 201 1 3 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.369 -0.062 19602 202 1 3 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.066 -0.337 19602 203 1 3 . 1 1 15 15 GLN CB C 15 29.224 29.224 31.468 -2.244 19602 204 1 3 . 1 1 15 15 GLN H H 15 8.573 8.573 7.892 0.681 19602 205 1 4 . 1 1 2 2 ALA N N 2 123.820 123.820 127.150 -3.330 19602 206 1 4 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.133 0.098 19602 207 1 4 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.870 -1.849 19602 208 1 4 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.964 -0.058 19602 209 1 4 . 1 1 2 2 ALA H H 2 8.496 8.496 8.641 -0.145 19602 210 1 4 . 1 1 3 3 GLU N N 3 119.340 119.340 118.649 0.691 19602 211 1 4 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.997 0.146 19602 212 1 4 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.451 -1.560 19602 213 1 4 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.762 1.131 19602 214 1 4 . 1 1 3 3 GLU H H 3 8.369 8.369 8.808 -0.439 19602 215 1 4 . 1 1 4 4 PHE N N 4 121.000 121.000 116.165 4.835 19602 216 1 4 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.562 -0.004 19602 217 1 4 . 1 1 4 4 PHE CA C 4 57.911 57.911 58.716 -0.805 19602 218 1 4 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.488 -0.219 19602 219 1 4 . 1 1 4 4 PHE H H 4 8.183 8.183 7.465 0.718 19602 220 1 4 . 1 1 5 5 ARG N N 5 123.140 123.140 119.178 3.962 19602 221 1 4 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.090 0.132 19602 222 1 4 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.641 0.300 19602 223 1 4 . 1 1 5 5 ARG CB C 5 30.726 30.726 29.143 1.583 19602 224 1 4 . 1 1 5 5 ARG H H 5 8.202 8.202 7.573 0.629 19602 225 1 4 . 1 1 6 6 ARG N N 6 122.830 122.830 118.794 4.036 19602 226 1 4 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.301 -0.053 19602 227 1 4 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.613 0.422 19602 228 1 4 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.405 0.199 19602 229 1 4 . 1 1 6 6 ARG H H 6 8.114 8.114 7.220 0.894 19602 230 1 4 . 1 1 7 7 ASP N N 7 121.190 121.190 121.954 -0.764 19602 231 1 4 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.516 0.119 19602 232 1 4 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.359 -2.143 19602 233 1 4 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.639 0.542 19602 234 1 4 . 1 1 7 7 ASP H H 7 8.500 8.500 8.716 -0.216 19602 235 1 4 . 1 1 8 8 SER N N 8 116.370 116.370 113.648 2.722 19602 236 1 4 . 1 1 8 8 SER HA H 8 4.377 4.377 4.257 0.120 19602 237 1 4 . 1 1 8 8 SER CA C 8 58.958 58.958 58.779 0.179 19602 238 1 4 . 1 1 8 8 SER CB C 8 63.528 63.528 63.317 0.211 19602 239 1 4 . 1 1 8 8 SER H H 8 8.436 8.436 8.448 -0.012 19602 240 1 4 . 1 1 9 9 GLY N N 9 110.690 110.690 108.624 2.066 19602 241 1 4 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.498 -0.245 19602 242 1 4 . 1 1 9 9 GLY H H 9 8.586 8.586 7.420 1.166 19602 243 1 4 . 1 1 10 10 TYR N N 10 120.180 120.180 119.073 1.107 19602 244 1 4 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.751 -0.250 19602 245 1 4 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.066 1.185 19602 246 1 4 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.725 -1.975 19602 247 1 4 . 1 1 10 10 TYR H H 10 8.042 8.042 7.964 0.078 19602 248 1 4 . 1 1 11 11 GLU N N 11 122.600 122.600 126.834 -4.234 19602 249 1 4 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.573 -0.579 19602 250 1 4 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.955 0.517 19602 251 1 4 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.710 -0.467 19602 252 1 4 . 1 1 11 11 GLU H H 11 8.455 8.455 8.888 -0.433 19602 253 1 4 . 1 1 12 12 VAL N N 12 121.210 121.210 125.570 -4.360 19602 254 1 4 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.514 0.418 19602 255 1 4 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.654 -1.928 19602 256 1 4 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.426 1.035 19602 257 1 4 . 1 1 12 12 VAL H H 12 8.153 8.153 8.459 -0.306 19602 258 1 4 . 1 1 13 13 HIS N N 13 122.230 122.230 116.604 5.626 19602 259 1 4 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.583 0.046 19602 260 1 4 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.516 -1.708 19602 261 1 4 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.191 1.060 19602 262 1 4 . 1 1 13 13 HIS H H 13 8.406 8.406 7.779 0.627 19602 263 1 4 . 1 1 14 14 HIS N N 14 121.110 121.110 116.424 4.686 19602 264 1 4 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.750 -0.157 19602 265 1 4 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.550 -1.496 19602 266 1 4 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.072 0.296 19602 267 1 4 . 1 1 14 14 HIS H H 14 8.348 8.348 8.027 0.321 19602 268 1 4 . 1 1 15 15 GLN N N 15 122.170 122.170 117.330 4.840 19602 269 1 4 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.490 -0.183 19602 270 1 4 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.900 -1.171 19602 271 1 4 . 1 1 15 15 GLN CB C 15 29.224 29.224 32.117 -2.893 19602 272 1 4 . 1 1 15 15 GLN H H 15 8.573 8.573 8.080 0.493 19602 273 1 5 . 1 1 2 2 ALA N N 2 123.820 123.820 123.908 -0.088 19602 274 1 5 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.035 0.196 19602 275 1 5 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.072 -2.050 19602 276 1 5 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.474 0.432 19602 277 1 5 . 1 1 2 2 ALA H H 2 8.496 8.496 8.530 -0.034 19602 278 1 5 . 1 1 3 3 GLU N N 3 119.340 119.340 116.934 2.406 19602 279 1 5 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.908 0.235 19602 280 1 5 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.273 -1.382 19602 281 1 5 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.781 1.112 19602 282 1 5 . 1 1 3 3 GLU H H 3 8.369 8.369 8.608 -0.239 19602 283 1 5 . 1 1 4 4 PHE N N 4 121.000 121.000 115.933 5.067 19602 284 1 5 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.601 -0.043 19602 285 1 5 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.901 0.010 19602 286 1 5 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.379 -0.110 19602 287 1 5 . 1 1 4 4 PHE H H 4 8.183 8.183 7.395 0.788 19602 288 1 5 . 1 1 5 5 ARG N N 5 123.140 123.140 120.697 2.443 19602 289 1 5 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.191 0.031 19602 290 1 5 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.102 0.839 19602 291 1 5 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.846 2.880 19602 292 1 5 . 1 1 5 5 ARG H H 5 8.202 8.202 7.562 0.640 19602 293 1 5 . 1 1 6 6 ARG N N 6 122.830 122.830 120.597 2.233 19602 294 1 5 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.468 -0.220 19602 295 1 5 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.154 1.881 19602 296 1 5 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.950 -0.346 19602 297 1 5 . 1 1 6 6 ARG H H 6 8.114 8.114 7.928 0.186 19602 298 1 5 . 1 1 7 7 ASP N N 7 121.190 121.190 122.898 -1.708 19602 299 1 5 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.511 0.124 19602 300 1 5 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.267 -2.051 19602 301 1 5 . 1 1 7 7 ASP CB C 7 41.181 41.181 39.993 1.188 19602 302 1 5 . 1 1 7 7 ASP H H 7 8.500 8.500 8.857 -0.357 19602 303 1 5 . 1 1 8 8 SER N N 8 116.370 116.370 115.235 1.135 19602 304 1 5 . 1 1 8 8 SER HA H 8 4.377 4.377 4.266 0.111 19602 305 1 5 . 1 1 8 8 SER CA C 8 58.958 58.958 59.207 -0.249 19602 306 1 5 . 1 1 8 8 SER CB C 8 63.528 63.528 63.401 0.126 19602 307 1 5 . 1 1 8 8 SER H H 8 8.436 8.436 8.354 0.082 19602 308 1 5 . 1 1 9 9 GLY N N 9 110.690 110.690 108.805 1.885 19602 309 1 5 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.009 0.244 19602 310 1 5 . 1 1 9 9 GLY H H 9 8.586 8.586 7.690 0.896 19602 311 1 5 . 1 1 10 10 TYR N N 10 120.180 120.180 118.465 1.715 19602 312 1 5 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.654 -0.153 19602 313 1 5 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.813 0.438 19602 314 1 5 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.307 -2.557 19602 315 1 5 . 1 1 10 10 TYR H H 10 8.042 8.042 8.133 -0.091 19602 316 1 5 . 1 1 11 11 GLU N N 11 122.600 122.600 124.868 -2.268 19602 317 1 5 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.885 -0.891 19602 318 1 5 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.075 0.397 19602 319 1 5 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.579 -0.336 19602 320 1 5 . 1 1 11 11 GLU H H 11 8.455 8.455 9.187 -0.732 19602 321 1 5 . 1 1 12 12 VAL N N 12 121.210 121.210 123.456 -2.246 19602 322 1 5 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.612 0.320 19602 323 1 5 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.047 -2.321 19602 324 1 5 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.252 1.209 19602 325 1 5 . 1 1 12 12 VAL H H 12 8.153 8.153 8.552 -0.399 19602 326 1 5 . 1 1 13 13 HIS N N 13 122.230 122.230 117.853 4.377 19602 327 1 5 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.299 0.330 19602 328 1 5 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.548 -1.740 19602 329 1 5 . 1 1 13 13 HIS CB C 13 30.251 30.251 28.977 1.274 19602 330 1 5 . 1 1 13 13 HIS H H 13 8.406 8.406 8.476 -0.070 19602 331 1 5 . 1 1 14 14 HIS N N 14 121.110 121.110 116.707 4.403 19602 332 1 5 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.714 -0.121 19602 333 1 5 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.257 -1.202 19602 334 1 5 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.553 -0.185 19602 335 1 5 . 1 1 14 14 HIS H H 14 8.348 8.348 7.913 0.435 19602 336 1 5 . 1 1 15 15 GLN N N 15 122.170 122.170 118.353 3.817 19602 337 1 5 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.639 -0.332 19602 338 1 5 . 1 1 15 15 GLN CA C 15 55.729 55.729 53.636 2.093 19602 339 1 5 . 1 1 15 15 GLN CB C 15 29.224 29.224 32.383 -3.159 19602 340 1 5 . 1 1 15 15 GLN H H 15 8.573 8.573 7.741 0.832 19602 341 1 6 . 1 1 2 2 ALA N N 2 123.820 123.820 123.016 0.804 19602 342 1 6 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.035 0.196 19602 343 1 6 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.242 -2.220 19602 344 1 6 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.377 0.529 19602 345 1 6 . 1 1 2 2 ALA H H 2 8.496 8.496 8.476 0.020 19602 346 1 6 . 1 1 3 3 GLU N N 3 119.340 119.340 116.763 2.577 19602 347 1 6 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.982 0.161 19602 348 1 6 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.333 -1.442 19602 349 1 6 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.895 0.998 19602 350 1 6 . 1 1 3 3 GLU H H 3 8.369 8.369 8.577 -0.208 19602 351 1 6 . 1 1 4 4 PHE N N 4 121.000 121.000 115.571 5.429 19602 352 1 6 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.683 -0.125 19602 353 1 6 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.434 0.477 19602 354 1 6 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.879 -0.610 19602 355 1 6 . 1 1 4 4 PHE H H 4 8.183 8.183 7.467 0.716 19602 356 1 6 . 1 1 5 5 ARG N N 5 123.140 123.140 119.027 4.113 19602 357 1 6 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.149 0.073 19602 358 1 6 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.562 0.379 19602 359 1 6 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.955 1.771 19602 360 1 6 . 1 1 5 5 ARG H H 5 8.202 8.202 7.461 0.741 19602 361 1 6 . 1 1 6 6 ARG N N 6 122.830 122.830 119.215 3.615 19602 362 1 6 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.336 -0.088 19602 363 1 6 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.965 0.070 19602 364 1 6 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.369 0.235 19602 365 1 6 . 1 1 6 6 ARG H H 6 8.114 8.114 7.659 0.455 19602 366 1 6 . 1 1 7 7 ASP N N 7 121.190 121.190 121.397 -0.207 19602 367 1 6 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.553 0.082 19602 368 1 6 . 1 1 7 7 ASP CA C 7 54.216 54.216 55.903 -1.687 19602 369 1 6 . 1 1 7 7 ASP CB C 7 41.181 41.181 41.038 0.143 19602 370 1 6 . 1 1 7 7 ASP H H 7 8.500 8.500 8.782 -0.282 19602 371 1 6 . 1 1 8 8 SER N N 8 116.370 116.370 115.939 0.431 19602 372 1 6 . 1 1 8 8 SER HA H 8 4.377 4.377 4.347 0.030 19602 373 1 6 . 1 1 8 8 SER CA C 8 58.958 58.958 58.771 0.187 19602 374 1 6 . 1 1 8 8 SER CB C 8 63.528 63.528 62.897 0.631 19602 375 1 6 . 1 1 8 8 SER H H 8 8.436 8.436 8.220 0.216 19602 376 1 6 . 1 1 9 9 GLY N N 9 110.690 110.690 114.287 -3.597 19602 377 1 6 . 1 1 9 9 GLY CA C 9 45.253 45.253 44.821 0.432 19602 378 1 6 . 1 1 9 9 GLY H H 9 8.586 8.586 7.818 0.768 19602 379 1 6 . 1 1 10 10 TYR N N 10 120.180 120.180 119.458 0.722 19602 380 1 6 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.763 -0.262 19602 381 1 6 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.821 0.430 19602 382 1 6 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.567 -1.817 19602 383 1 6 . 1 1 10 10 TYR H H 10 8.042 8.042 8.009 0.033 19602 384 1 6 . 1 1 11 11 GLU N N 11 122.600 122.600 125.623 -3.023 19602 385 1 6 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.843 -0.849 19602 386 1 6 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.129 0.343 19602 387 1 6 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.158 -0.915 19602 388 1 6 . 1 1 11 11 GLU H H 11 8.455 8.455 9.191 -0.736 19602 389 1 6 . 1 1 12 12 VAL N N 12 121.210 121.210 127.154 -5.944 19602 390 1 6 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.508 0.424 19602 391 1 6 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.405 -1.679 19602 392 1 6 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.342 1.119 19602 393 1 6 . 1 1 12 12 VAL H H 12 8.153 8.153 8.621 -0.468 19602 394 1 6 . 1 1 13 13 HIS N N 13 122.230 122.230 118.690 3.540 19602 395 1 6 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.295 0.334 19602 396 1 6 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.263 -2.455 19602 397 1 6 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.403 0.848 19602 398 1 6 . 1 1 13 13 HIS H H 13 8.406 8.406 8.442 -0.036 19602 399 1 6 . 1 1 14 14 HIS N N 14 121.110 121.110 116.456 4.654 19602 400 1 6 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.402 0.191 19602 401 1 6 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.129 -1.074 19602 402 1 6 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.132 0.236 19602 403 1 6 . 1 1 14 14 HIS H H 14 8.348 8.348 8.069 0.279 19602 404 1 6 . 1 1 15 15 GLN N N 15 122.170 122.170 118.710 3.460 19602 405 1 6 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.183 0.124 19602 406 1 6 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.524 -0.795 19602 407 1 6 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.965 -0.740 19602 408 1 6 . 1 1 15 15 GLN H H 15 8.573 8.573 7.625 0.948 19602 409 1 7 . 1 1 2 2 ALA N N 2 123.820 123.820 123.049 0.771 19602 410 1 7 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.088 0.143 19602 411 1 7 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.938 -1.917 19602 412 1 7 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.483 0.423 19602 413 1 7 . 1 1 2 2 ALA H H 2 8.496 8.496 8.345 0.151 19602 414 1 7 . 1 1 3 3 GLU N N 3 119.340 119.340 116.425 2.915 19602 415 1 7 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.971 0.172 19602 416 1 7 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.261 -1.369 19602 417 1 7 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.784 1.109 19602 418 1 7 . 1 1 3 3 GLU H H 3 8.369 8.369 8.556 -0.187 19602 419 1 7 . 1 1 4 4 PHE N N 4 121.000 121.000 115.876 5.124 19602 420 1 7 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.756 -0.198 19602 421 1 7 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.965 0.946 19602 422 1 7 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.650 -0.381 19602 423 1 7 . 1 1 4 4 PHE H H 4 8.183 8.183 7.513 0.670 19602 424 1 7 . 1 1 5 5 ARG N N 5 123.140 123.140 120.434 2.706 19602 425 1 7 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.182 0.040 19602 426 1 7 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.993 0.948 19602 427 1 7 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.161 2.565 19602 428 1 7 . 1 1 5 5 ARG H H 5 8.202 8.202 7.569 0.633 19602 429 1 7 . 1 1 6 6 ARG N N 6 122.830 122.830 120.527 2.303 19602 430 1 7 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.467 -0.219 19602 431 1 7 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.862 1.173 19602 432 1 7 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.997 -0.393 19602 433 1 7 . 1 1 6 6 ARG H H 6 8.114 8.114 7.725 0.389 19602 434 1 7 . 1 1 7 7 ASP N N 7 121.190 121.190 120.605 0.585 19602 435 1 7 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.546 0.089 19602 436 1 7 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.287 -2.071 19602 437 1 7 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.568 0.613 19602 438 1 7 . 1 1 7 7 ASP H H 7 8.500 8.500 8.561 -0.061 19602 439 1 7 . 1 1 8 8 SER N N 8 116.370 116.370 115.650 0.720 19602 440 1 7 . 1 1 8 8 SER HA H 8 4.377 4.377 4.387 -0.010 19602 441 1 7 . 1 1 8 8 SER CA C 8 58.958 58.958 58.601 0.357 19602 442 1 7 . 1 1 8 8 SER CB C 8 63.528 63.528 63.320 0.208 19602 443 1 7 . 1 1 8 8 SER H H 8 8.436 8.436 8.592 -0.156 19602 444 1 7 . 1 1 9 9 GLY N N 9 110.690 110.690 108.735 1.955 19602 445 1 7 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.109 0.144 19602 446 1 7 . 1 1 9 9 GLY H H 9 8.586 8.586 7.644 0.942 19602 447 1 7 . 1 1 10 10 TYR N N 10 120.180 120.180 118.836 1.344 19602 448 1 7 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.758 -0.257 19602 449 1 7 . 1 1 10 10 TYR CA C 10 58.251 58.251 58.549 -0.298 19602 450 1 7 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.569 -1.819 19602 451 1 7 . 1 1 10 10 TYR H H 10 8.042 8.042 8.136 -0.094 19602 452 1 7 . 1 1 11 11 GLU N N 11 122.600 122.600 126.292 -3.692 19602 453 1 7 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.686 -0.692 19602 454 1 7 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.196 0.276 19602 455 1 7 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.691 -0.448 19602 456 1 7 . 1 1 11 11 GLU H H 11 8.455 8.455 8.774 -0.319 19602 457 1 7 . 1 1 12 12 VAL N N 12 121.210 121.210 125.842 -4.632 19602 458 1 7 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.532 0.400 19602 459 1 7 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.869 -2.143 19602 460 1 7 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.542 0.919 19602 461 1 7 . 1 1 12 12 VAL H H 12 8.153 8.153 8.594 -0.441 19602 462 1 7 . 1 1 13 13 HIS N N 13 122.230 122.230 117.733 4.497 19602 463 1 7 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.243 0.386 19602 464 1 7 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.738 -1.930 19602 465 1 7 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.455 0.796 19602 466 1 7 . 1 1 13 13 HIS H H 13 8.406 8.406 8.432 -0.026 19602 467 1 7 . 1 1 14 14 HIS N N 14 121.110 121.110 116.686 4.424 19602 468 1 7 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.707 -0.114 19602 469 1 7 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.561 -0.506 19602 470 1 7 . 1 1 14 14 HIS CB C 14 30.368 30.368 29.935 0.433 19602 471 1 7 . 1 1 14 14 HIS H H 14 8.348 8.348 8.056 0.292 19602 472 1 7 . 1 1 15 15 GLN N N 15 122.170 122.170 120.293 1.877 19602 473 1 7 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.102 0.205 19602 474 1 7 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.400 -1.671 19602 475 1 7 . 1 1 15 15 GLN CB C 15 29.224 29.224 28.855 0.369 19602 476 1 7 . 1 1 15 15 GLN H H 15 8.573 8.573 7.887 0.686 19602 477 1 8 . 1 1 2 2 ALA N N 2 123.820 123.820 125.736 -1.916 19602 478 1 8 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.087 0.144 19602 479 1 8 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.882 -1.861 19602 480 1 8 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.854 0.052 19602 481 1 8 . 1 1 2 2 ALA H H 2 8.496 8.496 8.603 -0.107 19602 482 1 8 . 1 1 3 3 GLU N N 3 119.340 119.340 117.759 1.581 19602 483 1 8 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.916 0.227 19602 484 1 8 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.031 -1.140 19602 485 1 8 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.765 1.128 19602 486 1 8 . 1 1 3 3 GLU H H 3 8.369 8.369 8.588 -0.219 19602 487 1 8 . 1 1 4 4 PHE N N 4 121.000 121.000 116.356 4.644 19602 488 1 8 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.598 -0.040 19602 489 1 8 . 1 1 4 4 PHE CA C 4 57.911 57.911 58.111 -0.200 19602 490 1 8 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.515 -0.246 19602 491 1 8 . 1 1 4 4 PHE H H 4 8.183 8.183 7.357 0.826 19602 492 1 8 . 1 1 5 5 ARG N N 5 123.140 123.140 119.223 3.917 19602 493 1 8 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.133 0.089 19602 494 1 8 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.644 0.297 19602 495 1 8 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.847 1.879 19602 496 1 8 . 1 1 5 5 ARG H H 5 8.202 8.202 7.551 0.651 19602 497 1 8 . 1 1 6 6 ARG N N 6 122.830 122.830 119.159 3.671 19602 498 1 8 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.325 -0.077 19602 499 1 8 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.370 0.665 19602 500 1 8 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.547 0.057 19602 501 1 8 . 1 1 6 6 ARG H H 6 8.114 8.114 7.379 0.735 19602 502 1 8 . 1 1 7 7 ASP N N 7 121.190 121.190 120.341 0.849 19602 503 1 8 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.519 0.116 19602 504 1 8 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.039 -1.823 19602 505 1 8 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.656 0.525 19602 506 1 8 . 1 1 7 7 ASP H H 7 8.500 8.500 8.690 -0.190 19602 507 1 8 . 1 1 8 8 SER N N 8 116.370 116.370 114.166 2.204 19602 508 1 8 . 1 1 8 8 SER HA H 8 4.377 4.377 4.367 0.010 19602 509 1 8 . 1 1 8 8 SER CA C 8 58.958 58.958 58.765 0.193 19602 510 1 8 . 1 1 8 8 SER CB C 8 63.528 63.528 63.642 -0.114 19602 511 1 8 . 1 1 8 8 SER H H 8 8.436 8.436 8.472 -0.036 19602 512 1 8 . 1 1 9 9 GLY N N 9 110.690 110.690 109.003 1.687 19602 513 1 8 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.493 -0.240 19602 514 1 8 . 1 1 9 9 GLY H H 9 8.586 8.586 7.634 0.952 19602 515 1 8 . 1 1 10 10 TYR N N 10 120.180 120.180 119.382 0.798 19602 516 1 8 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.728 -0.227 19602 517 1 8 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.663 0.588 19602 518 1 8 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.026 -2.276 19602 519 1 8 . 1 1 10 10 TYR H H 10 8.042 8.042 8.177 -0.135 19602 520 1 8 . 1 1 11 11 GLU N N 11 122.600 122.600 124.702 -2.102 19602 521 1 8 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.566 -0.572 19602 522 1 8 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.873 0.599 19602 523 1 8 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.380 -1.137 19602 524 1 8 . 1 1 11 11 GLU H H 11 8.455 8.455 9.006 -0.551 19602 525 1 8 . 1 1 12 12 VAL N N 12 121.210 121.210 125.975 -4.765 19602 526 1 8 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.507 0.425 19602 527 1 8 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.094 -1.369 19602 528 1 8 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.436 1.025 19602 529 1 8 . 1 1 12 12 VAL H H 12 8.153 8.153 8.459 -0.306 19602 530 1 8 . 1 1 13 13 HIS N N 13 122.230 122.230 116.634 5.596 19602 531 1 8 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.250 0.379 19602 532 1 8 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.547 -1.739 19602 533 1 8 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.394 0.857 19602 534 1 8 . 1 1 13 13 HIS H H 13 8.406 8.406 8.064 0.342 19602 535 1 8 . 1 1 14 14 HIS N N 14 121.110 121.110 115.072 6.038 19602 536 1 8 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.909 -0.316 19602 537 1 8 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.458 -0.403 19602 538 1 8 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.168 0.200 19602 539 1 8 . 1 1 14 14 HIS H H 14 8.348 8.348 7.700 0.648 19602 540 1 8 . 1 1 15 15 GLN N N 15 122.170 122.170 118.002 4.168 19602 541 1 8 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.442 -0.135 19602 542 1 8 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.324 -0.595 19602 543 1 8 . 1 1 15 15 GLN CB C 15 29.224 29.224 32.053 -2.829 19602 544 1 8 . 1 1 15 15 GLN H H 15 8.573 8.573 8.308 0.265 19602 545 1 9 . 1 1 2 2 ALA N N 2 123.820 123.820 123.755 0.065 19602 546 1 9 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.043 0.188 19602 547 1 9 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.030 -2.009 19602 548 1 9 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.843 0.063 19602 549 1 9 . 1 1 2 2 ALA H H 2 8.496 8.496 8.583 -0.087 19602 550 1 9 . 1 1 3 3 GLU N N 3 119.340 119.340 117.434 1.906 19602 551 1 9 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.956 0.187 19602 552 1 9 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.240 -1.349 19602 553 1 9 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.809 1.084 19602 554 1 9 . 1 1 3 3 GLU H H 3 8.369 8.369 8.556 -0.187 19602 555 1 9 . 1 1 4 4 PHE N N 4 121.000 121.000 116.201 4.799 19602 556 1 9 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.686 -0.128 19602 557 1 9 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.955 0.956 19602 558 1 9 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.489 -0.220 19602 559 1 9 . 1 1 4 4 PHE H H 4 8.183 8.183 7.467 0.716 19602 560 1 9 . 1 1 5 5 ARG N N 5 123.140 123.140 119.457 3.683 19602 561 1 9 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.174 0.048 19602 562 1 9 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.982 0.959 19602 563 1 9 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.874 2.852 19602 564 1 9 . 1 1 5 5 ARG H H 5 8.202 8.202 7.711 0.491 19602 565 1 9 . 1 1 6 6 ARG N N 6 122.830 122.830 120.456 2.374 19602 566 1 9 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.451 -0.203 19602 567 1 9 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.815 1.220 19602 568 1 9 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.614 -0.011 19602 569 1 9 . 1 1 6 6 ARG H H 6 8.114 8.114 7.607 0.507 19602 570 1 9 . 1 1 7 7 ASP N N 7 121.190 121.190 120.964 0.226 19602 571 1 9 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.667 -0.032 19602 572 1 9 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.225 -2.009 19602 573 1 9 . 1 1 7 7 ASP CB C 7 41.181 41.181 41.048 0.133 19602 574 1 9 . 1 1 7 7 ASP H H 7 8.500 8.500 8.476 0.024 19602 575 1 9 . 1 1 8 8 SER N N 8 116.370 116.370 115.538 0.832 19602 576 1 9 . 1 1 8 8 SER HA H 8 4.377 4.377 4.480 -0.103 19602 577 1 9 . 1 1 8 8 SER CA C 8 58.958 58.958 58.422 0.535 19602 578 1 9 . 1 1 8 8 SER CB C 8 63.528 63.528 63.414 0.114 19602 579 1 9 . 1 1 8 8 SER H H 8 8.436 8.436 8.551 -0.115 19602 580 1 9 . 1 1 9 9 GLY N N 9 110.690 110.690 109.301 1.389 19602 581 1 9 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.195 0.058 19602 582 1 9 . 1 1 9 9 GLY H H 9 8.586 8.586 8.001 0.585 19602 583 1 9 . 1 1 10 10 TYR N N 10 120.180 120.180 119.111 1.069 19602 584 1 9 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.882 -0.381 19602 585 1 9 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.983 0.268 19602 586 1 9 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.587 -2.837 19602 587 1 9 . 1 1 10 10 TYR H H 10 8.042 8.042 8.148 -0.106 19602 588 1 9 . 1 1 11 11 GLU N N 11 122.600 122.600 124.862 -2.262 19602 589 1 9 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.613 -0.619 19602 590 1 9 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.371 1.101 19602 591 1 9 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.892 -0.649 19602 592 1 9 . 1 1 11 11 GLU H H 11 8.455 8.455 9.252 -0.797 19602 593 1 9 . 1 1 12 12 VAL N N 12 121.210 121.210 125.673 -4.463 19602 594 1 9 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.523 0.409 19602 595 1 9 . 1 1 12 12 VAL CA C 12 62.726 62.726 66.073 -3.347 19602 596 1 9 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.266 1.195 19602 597 1 9 . 1 1 12 12 VAL H H 12 8.153 8.153 8.735 -0.582 19602 598 1 9 . 1 1 13 13 HIS N N 13 122.230 122.230 116.612 5.618 19602 599 1 9 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.356 0.274 19602 600 1 9 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.331 -2.523 19602 601 1 9 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.221 1.030 19602 602 1 9 . 1 1 13 13 HIS H H 13 8.406 8.406 8.873 -0.467 19602 603 1 9 . 1 1 14 14 HIS N N 14 121.110 121.110 112.217 8.893 19602 604 1 9 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.850 -0.257 19602 605 1 9 . 1 1 14 14 HIS CA C 14 56.055 56.055 55.974 0.081 19602 606 1 9 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.021 0.347 19602 607 1 9 . 1 1 14 14 HIS H H 14 8.348 8.348 7.782 0.566 19602 608 1 9 . 1 1 15 15 GLN N N 15 122.170 122.170 119.647 2.523 19602 609 1 9 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.295 0.012 19602 610 1 9 . 1 1 15 15 GLN CA C 15 55.729 55.729 58.063 -2.334 19602 611 1 9 . 1 1 15 15 GLN CB C 15 29.224 29.224 30.309 -1.085 19602 612 1 9 . 1 1 15 15 GLN H H 15 8.573 8.573 8.015 0.558 19602 613 1 10 . 1 1 2 2 ALA N N 2 123.820 123.820 124.011 -0.191 19602 614 1 10 . 1 1 2 2 ALA HA H 2 4.231 4.231 3.989 0.242 19602 615 1 10 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.077 -2.056 19602 616 1 10 . 1 1 2 2 ALA CB C 2 18.906 18.906 17.874 1.032 19602 617 1 10 . 1 1 2 2 ALA H H 2 8.496 8.496 8.320 0.176 19602 618 1 10 . 1 1 3 3 GLU N N 3 119.340 119.340 116.701 2.639 19602 619 1 10 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.942 0.201 19602 620 1 10 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.329 -1.438 19602 621 1 10 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.934 0.959 19602 622 1 10 . 1 1 3 3 GLU H H 3 8.369 8.369 8.552 -0.183 19602 623 1 10 . 1 1 4 4 PHE N N 4 121.000 121.000 116.158 4.842 19602 624 1 10 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.714 -0.156 19602 625 1 10 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.895 0.016 19602 626 1 10 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.642 -0.373 19602 627 1 10 . 1 1 4 4 PHE H H 4 8.183 8.183 7.986 0.197 19602 628 1 10 . 1 1 5 5 ARG N N 5 123.140 123.140 120.113 3.027 19602 629 1 10 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.159 0.063 19602 630 1 10 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.462 0.479 19602 631 1 10 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.259 2.467 19602 632 1 10 . 1 1 5 5 ARG H H 5 8.202 8.202 7.527 0.675 19602 633 1 10 . 1 1 6 6 ARG N N 6 122.830 122.830 119.786 3.044 19602 634 1 10 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.443 -0.195 19602 635 1 10 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.823 1.212 19602 636 1 10 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.562 0.042 19602 637 1 10 . 1 1 6 6 ARG H H 6 8.114 8.114 7.384 0.730 19602 638 1 10 . 1 1 7 7 ASP N N 7 121.190 121.190 121.337 -0.147 19602 639 1 10 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.551 0.084 19602 640 1 10 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.149 -1.933 19602 641 1 10 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.664 0.517 19602 642 1 10 . 1 1 7 7 ASP H H 7 8.500 8.500 8.687 -0.187 19602 643 1 10 . 1 1 8 8 SER N N 8 116.370 116.370 114.002 2.368 19602 644 1 10 . 1 1 8 8 SER HA H 8 4.377 4.377 4.274 0.103 19602 645 1 10 . 1 1 8 8 SER CA C 8 58.958 58.958 59.222 -0.265 19602 646 1 10 . 1 1 8 8 SER CB C 8 63.528 63.528 63.521 0.007 19602 647 1 10 . 1 1 8 8 SER H H 8 8.436 8.436 8.547 -0.111 19602 648 1 10 . 1 1 9 9 GLY N N 9 110.690 110.690 107.940 2.750 19602 649 1 10 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.234 0.019 19602 650 1 10 . 1 1 9 9 GLY H H 9 8.586 8.586 7.963 0.623 19602 651 1 10 . 1 1 10 10 TYR N N 10 120.180 120.180 118.748 1.432 19602 652 1 10 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.939 -0.438 19602 653 1 10 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.505 0.746 19602 654 1 10 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.300 -2.550 19602 655 1 10 . 1 1 10 10 TYR H H 10 8.042 8.042 8.551 -0.509 19602 656 1 10 . 1 1 11 11 GLU N N 11 122.600 122.600 125.868 -3.268 19602 657 1 10 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.731 -0.737 19602 658 1 10 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.248 0.224 19602 659 1 10 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.332 -0.089 19602 660 1 10 . 1 1 11 11 GLU H H 11 8.455 8.455 9.241 -0.786 19602 661 1 10 . 1 1 12 12 VAL N N 12 121.210 121.210 126.670 -5.460 19602 662 1 10 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.441 0.491 19602 663 1 10 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.182 -2.456 19602 664 1 10 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.572 0.889 19602 665 1 10 . 1 1 12 12 VAL H H 12 8.153 8.153 8.680 -0.527 19602 666 1 10 . 1 1 13 13 HIS N N 13 122.230 122.230 117.916 4.314 19602 667 1 10 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.504 0.125 19602 668 1 10 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.802 -1.994 19602 669 1 10 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.293 0.958 19602 670 1 10 . 1 1 13 13 HIS H H 13 8.406 8.406 8.484 -0.078 19602 671 1 10 . 1 1 14 14 HIS N N 14 121.110 121.110 117.447 3.663 19602 672 1 10 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.510 0.083 19602 673 1 10 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.859 -1.804 19602 674 1 10 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.293 0.075 19602 675 1 10 . 1 1 14 14 HIS H H 14 8.348 8.348 7.925 0.423 19602 676 1 10 . 1 1 15 15 GLN N N 15 122.170 122.170 118.247 3.923 19602 677 1 10 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.279 0.028 19602 678 1 10 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.053 -1.324 19602 679 1 10 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.897 -0.673 19602 680 1 10 . 1 1 15 15 GLN H H 15 8.573 8.573 7.868 0.705 19602 681 1 11 . 1 1 2 2 ALA N N 2 123.820 123.820 126.014 -2.194 19602 682 1 11 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.063 0.168 19602 683 1 11 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.797 -1.776 19602 684 1 11 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.028 -0.122 19602 685 1 11 . 1 1 2 2 ALA H H 2 8.496 8.496 8.578 -0.082 19602 686 1 11 . 1 1 3 3 GLU N N 3 119.340 119.340 116.913 2.427 19602 687 1 11 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.999 0.144 19602 688 1 11 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.071 -1.180 19602 689 1 11 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.110 0.783 19602 690 1 11 . 1 1 3 3 GLU H H 3 8.369 8.369 8.123 0.246 19602 691 1 11 . 1 1 4 4 PHE N N 4 121.000 121.000 115.970 5.030 19602 692 1 11 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.663 -0.105 19602 693 1 11 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.351 0.560 19602 694 1 11 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.586 -0.316 19602 695 1 11 . 1 1 4 4 PHE H H 4 8.183 8.183 7.097 1.086 19602 696 1 11 . 1 1 5 5 ARG N N 5 123.140 123.140 120.402 2.738 19602 697 1 11 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.243 -0.021 19602 698 1 11 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.201 0.740 19602 699 1 11 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.887 2.839 19602 700 1 11 . 1 1 5 5 ARG H H 5 8.202 8.202 7.733 0.469 19602 701 1 11 . 1 1 6 6 ARG N N 6 122.830 122.830 120.073 2.757 19602 702 1 11 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.511 -0.263 19602 703 1 11 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.675 1.360 19602 704 1 11 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.741 -0.137 19602 705 1 11 . 1 1 6 6 ARG H H 6 8.114 8.114 7.780 0.334 19602 706 1 11 . 1 1 7 7 ASP N N 7 121.190 121.190 121.568 -0.378 19602 707 1 11 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.627 0.008 19602 708 1 11 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.080 -1.863 19602 709 1 11 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.380 0.801 19602 710 1 11 . 1 1 7 7 ASP H H 7 8.500 8.500 8.702 -0.202 19602 711 1 11 . 1 1 8 8 SER N N 8 116.370 116.370 114.305 2.065 19602 712 1 11 . 1 1 8 8 SER HA H 8 4.377 4.377 4.298 0.079 19602 713 1 11 . 1 1 8 8 SER CA C 8 58.958 58.958 58.998 -0.040 19602 714 1 11 . 1 1 8 8 SER CB C 8 63.528 63.528 63.462 0.066 19602 715 1 11 . 1 1 8 8 SER H H 8 8.436 8.436 8.527 -0.091 19602 716 1 11 . 1 1 9 9 GLY N N 9 110.690 110.690 108.188 2.502 19602 717 1 11 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.276 -0.023 19602 718 1 11 . 1 1 9 9 GLY H H 9 8.586 8.586 7.741 0.845 19602 719 1 11 . 1 1 10 10 TYR N N 10 120.180 120.180 119.016 1.164 19602 720 1 11 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.849 -0.348 19602 721 1 11 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.492 0.759 19602 722 1 11 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.174 -2.424 19602 723 1 11 . 1 1 10 10 TYR H H 10 8.042 8.042 7.936 0.106 19602 724 1 11 . 1 1 11 11 GLU N N 11 122.600 122.600 126.415 -3.815 19602 725 1 11 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.793 -0.799 19602 726 1 11 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.692 0.780 19602 727 1 11 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.769 -0.526 19602 728 1 11 . 1 1 11 11 GLU H H 11 8.455 8.455 9.159 -0.704 19602 729 1 11 . 1 1 12 12 VAL N N 12 121.210 121.210 127.250 -6.040 19602 730 1 11 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.530 0.402 19602 731 1 11 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.530 -1.804 19602 732 1 11 . 1 1 12 12 VAL CB C 12 32.461 32.461 30.800 1.661 19602 733 1 11 . 1 1 12 12 VAL H H 12 8.153 8.153 8.700 -0.547 19602 734 1 11 . 1 1 13 13 HIS N N 13 122.230 122.230 118.747 3.483 19602 735 1 11 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.352 0.277 19602 736 1 11 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.308 -2.500 19602 737 1 11 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.198 1.053 19602 738 1 11 . 1 1 13 13 HIS H H 13 8.406 8.406 8.637 -0.231 19602 739 1 11 . 1 1 14 14 HIS N N 14 121.110 121.110 117.458 3.652 19602 740 1 11 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.430 0.163 19602 741 1 11 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.804 -1.749 19602 742 1 11 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.415 -0.047 19602 743 1 11 . 1 1 14 14 HIS H H 14 8.348 8.348 8.064 0.284 19602 744 1 11 . 1 1 15 15 GLN N N 15 122.170 122.170 119.812 2.358 19602 745 1 11 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.124 0.183 19602 746 1 11 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.434 -1.705 19602 747 1 11 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.734 -0.510 19602 748 1 11 . 1 1 15 15 GLN H H 15 8.573 8.573 8.143 0.430 19602 749 1 12 . 1 1 2 2 ALA N N 2 123.820 123.820 124.005 -0.185 19602 750 1 12 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.040 0.191 19602 751 1 12 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.188 -2.167 19602 752 1 12 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.953 -0.047 19602 753 1 12 . 1 1 2 2 ALA H H 2 8.496 8.496 8.572 -0.076 19602 754 1 12 . 1 1 3 3 GLU N N 3 119.340 119.340 117.432 1.908 19602 755 1 12 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.983 0.160 19602 756 1 12 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.041 -1.150 19602 757 1 12 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.904 0.989 19602 758 1 12 . 1 1 3 3 GLU H H 3 8.369 8.369 8.487 -0.118 19602 759 1 12 . 1 1 4 4 PHE N N 4 121.000 121.000 115.587 5.413 19602 760 1 12 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.760 -0.202 19602 761 1 12 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.011 0.900 19602 762 1 12 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.975 -0.706 19602 763 1 12 . 1 1 4 4 PHE H H 4 8.183 8.183 7.451 0.732 19602 764 1 12 . 1 1 5 5 ARG N N 5 123.140 123.140 120.696 2.444 19602 765 1 12 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.239 -0.017 19602 766 1 12 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.772 1.169 19602 767 1 12 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.709 3.017 19602 768 1 12 . 1 1 5 5 ARG H H 5 8.202 8.202 7.710 0.492 19602 769 1 12 . 1 1 6 6 ARG N N 6 122.830 122.830 119.957 2.873 19602 770 1 12 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.489 -0.241 19602 771 1 12 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.910 1.125 19602 772 1 12 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.662 -0.058 19602 773 1 12 . 1 1 6 6 ARG H H 6 8.114 8.114 7.683 0.431 19602 774 1 12 . 1 1 7 7 ASP N N 7 121.190 121.190 120.688 0.502 19602 775 1 12 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.629 0.006 19602 776 1 12 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.163 -1.948 19602 777 1 12 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.950 0.231 19602 778 1 12 . 1 1 7 7 ASP H H 7 8.500 8.500 8.686 -0.186 19602 779 1 12 . 1 1 8 8 SER N N 8 116.370 116.370 116.370 0.000 19602 780 1 12 . 1 1 8 8 SER HA H 8 4.377 4.377 4.469 -0.092 19602 781 1 12 . 1 1 8 8 SER CA C 8 58.958 58.958 58.558 0.400 19602 782 1 12 . 1 1 8 8 SER CB C 8 63.528 63.528 62.309 1.220 19602 783 1 12 . 1 1 8 8 SER H H 8 8.436 8.436 8.693 -0.257 19602 784 1 12 . 1 1 9 9 GLY N N 9 110.690 110.690 108.529 2.161 19602 785 1 12 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.315 -0.062 19602 786 1 12 . 1 1 9 9 GLY H H 9 8.586 8.586 7.841 0.745 19602 787 1 12 . 1 1 10 10 TYR N N 10 120.180 120.180 118.855 1.325 19602 788 1 12 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.750 -0.249 19602 789 1 12 . 1 1 10 10 TYR CA C 10 58.251 58.251 58.230 0.021 19602 790 1 12 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.014 -2.264 19602 791 1 12 . 1 1 10 10 TYR H H 10 8.042 8.042 8.132 -0.090 19602 792 1 12 . 1 1 11 11 GLU N N 11 122.600 122.600 124.504 -1.904 19602 793 1 12 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.789 -0.795 19602 794 1 12 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.355 0.117 19602 795 1 12 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.399 -1.156 19602 796 1 12 . 1 1 11 11 GLU H H 11 8.455 8.455 8.927 -0.472 19602 797 1 12 . 1 1 12 12 VAL N N 12 121.210 121.210 126.380 -5.170 19602 798 1 12 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.584 0.348 19602 799 1 12 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.474 -1.748 19602 800 1 12 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.430 1.031 19602 801 1 12 . 1 1 12 12 VAL H H 12 8.153 8.153 8.578 -0.425 19602 802 1 12 . 1 1 13 13 HIS N N 13 122.230 122.230 119.225 3.005 19602 803 1 12 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.217 0.412 19602 804 1 12 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.396 -2.588 19602 805 1 12 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.478 0.773 19602 806 1 12 . 1 1 13 13 HIS H H 13 8.406 8.406 8.577 -0.171 19602 807 1 12 . 1 1 14 14 HIS N N 14 121.110 121.110 117.000 4.110 19602 808 1 12 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.574 0.019 19602 809 1 12 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.791 -0.736 19602 810 1 12 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.307 0.061 19602 811 1 12 . 1 1 14 14 HIS H H 14 8.348 8.348 7.814 0.534 19602 812 1 12 . 1 1 15 15 GLN N N 15 122.170 122.170 119.772 2.398 19602 813 1 12 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.067 0.240 19602 814 1 12 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.634 -1.905 19602 815 1 12 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.052 0.172 19602 816 1 12 . 1 1 15 15 GLN H H 15 8.573 8.573 8.019 0.554 19602 817 1 13 . 1 1 2 2 ALA N N 2 123.820 123.820 125.748 -1.928 19602 818 1 13 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.166 0.065 19602 819 1 13 . 1 1 2 2 ALA CA C 2 53.021 53.021 53.721 -0.700 19602 820 1 13 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.439 -0.533 19602 821 1 13 . 1 1 2 2 ALA H H 2 8.496 8.496 8.521 -0.025 19602 822 1 13 . 1 1 3 3 GLU N N 3 119.340 119.340 115.833 3.507 19602 823 1 13 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.440 -0.297 19602 824 1 13 . 1 1 3 3 GLU CA C 3 56.891 56.891 57.715 -0.824 19602 825 1 13 . 1 1 3 3 GLU CB C 3 29.893 29.893 31.371 -1.478 19602 826 1 13 . 1 1 3 3 GLU H H 3 8.369 8.369 8.610 -0.241 19602 827 1 13 . 1 1 4 4 PHE N N 4 121.000 121.000 120.382 0.618 19602 828 1 13 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.658 -0.100 19602 829 1 13 . 1 1 4 4 PHE CA C 4 57.911 57.911 60.083 -2.172 19602 830 1 13 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.923 -0.654 19602 831 1 13 . 1 1 4 4 PHE H H 4 8.183 8.183 8.338 -0.155 19602 832 1 13 . 1 1 5 5 ARG N N 5 123.140 123.140 121.156 1.984 19602 833 1 13 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.246 -0.024 19602 834 1 13 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.363 0.578 19602 835 1 13 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.820 2.906 19602 836 1 13 . 1 1 5 5 ARG H H 5 8.202 8.202 8.165 0.037 19602 837 1 13 . 1 1 6 6 ARG N N 6 122.830 122.830 121.354 1.476 19602 838 1 13 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.503 -0.255 19602 839 1 13 . 1 1 6 6 ARG CA C 6 56.035 56.035 53.925 2.110 19602 840 1 13 . 1 1 6 6 ARG CB C 6 30.604 30.604 31.465 -0.861 19602 841 1 13 . 1 1 6 6 ARG H H 6 8.114 8.114 7.988 0.126 19602 842 1 13 . 1 1 7 7 ASP N N 7 121.190 121.190 123.226 -2.036 19602 843 1 13 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.519 0.116 19602 844 1 13 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.615 -2.399 19602 845 1 13 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.413 0.768 19602 846 1 13 . 1 1 7 7 ASP H H 7 8.500 8.500 8.771 -0.271 19602 847 1 13 . 1 1 8 8 SER N N 8 116.370 116.370 115.766 0.604 19602 848 1 13 . 1 1 8 8 SER HA H 8 4.377 4.377 4.382 -0.005 19602 849 1 13 . 1 1 8 8 SER CA C 8 58.958 58.958 58.166 0.792 19602 850 1 13 . 1 1 8 8 SER CB C 8 63.528 63.528 63.285 0.242 19602 851 1 13 . 1 1 8 8 SER H H 8 8.436 8.436 8.287 0.149 19602 852 1 13 . 1 1 9 9 GLY N N 9 110.690 110.690 109.759 0.931 19602 853 1 13 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.210 0.043 19602 854 1 13 . 1 1 9 9 GLY H H 9 8.586 8.586 7.455 1.131 19602 855 1 13 . 1 1 10 10 TYR N N 10 120.180 120.180 117.783 2.397 19602 856 1 13 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.616 -0.115 19602 857 1 13 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.130 1.121 19602 858 1 13 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.649 -1.899 19602 859 1 13 . 1 1 10 10 TYR H H 10 8.042 8.042 8.052 -0.010 19602 860 1 13 . 1 1 11 11 GLU N N 11 122.600 122.600 124.724 -2.124 19602 861 1 13 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.543 -0.549 19602 862 1 13 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.580 0.892 19602 863 1 13 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.853 -0.610 19602 864 1 13 . 1 1 11 11 GLU H H 11 8.455 8.455 8.933 -0.478 19602 865 1 13 . 1 1 12 12 VAL N N 12 121.210 121.210 126.853 -5.643 19602 866 1 13 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.361 0.571 19602 867 1 13 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.628 -1.902 19602 868 1 13 . 1 1 12 12 VAL CB C 12 32.461 32.461 30.942 1.519 19602 869 1 13 . 1 1 12 12 VAL H H 12 8.153 8.153 8.396 -0.243 19602 870 1 13 . 1 1 13 13 HIS N N 13 122.230 122.230 116.746 5.484 19602 871 1 13 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.671 -0.042 19602 872 1 13 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.968 -2.160 19602 873 1 13 . 1 1 13 13 HIS CB C 13 30.251 30.251 28.779 1.472 19602 874 1 13 . 1 1 13 13 HIS H H 13 8.406 8.406 7.890 0.516 19602 875 1 13 . 1 1 14 14 HIS N N 14 121.110 121.110 117.071 4.039 19602 876 1 13 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.674 -0.081 19602 877 1 13 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.738 -1.683 19602 878 1 13 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.502 -0.134 19602 879 1 13 . 1 1 14 14 HIS H H 14 8.348 8.348 7.759 0.589 19602 880 1 13 . 1 1 15 15 GLN N N 15 122.170 122.170 118.326 3.844 19602 881 1 13 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.380 -0.073 19602 882 1 13 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.647 -0.918 19602 883 1 13 . 1 1 15 15 GLN CB C 15 29.224 29.224 30.081 -0.857 19602 884 1 13 . 1 1 15 15 GLN H H 15 8.573 8.573 8.010 0.563 19602 885 1 14 . 1 1 2 2 ALA N N 2 123.820 123.820 121.760 2.060 19602 886 1 14 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.409 -0.178 19602 887 1 14 . 1 1 2 2 ALA CA C 2 53.021 53.021 52.125 0.896 19602 888 1 14 . 1 1 2 2 ALA CB C 2 18.906 18.906 20.386 -1.480 19602 889 1 14 . 1 1 2 2 ALA H H 2 8.496 8.496 8.293 0.203 19602 890 1 14 . 1 1 3 3 GLU N N 3 119.340 119.340 119.517 -0.177 19602 891 1 14 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.071 0.072 19602 892 1 14 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.806 -1.915 19602 893 1 14 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.352 0.541 19602 894 1 14 . 1 1 3 3 GLU H H 3 8.369 8.369 8.914 -0.545 19602 895 1 14 . 1 1 4 4 PHE N N 4 121.000 121.000 112.391 8.609 19602 896 1 14 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.787 -0.229 19602 897 1 14 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.266 1.645 19602 898 1 14 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.936 -0.667 19602 899 1 14 . 1 1 4 4 PHE H H 4 8.183 8.183 7.552 0.631 19602 900 1 14 . 1 1 5 5 ARG N N 5 123.140 123.140 121.880 1.260 19602 901 1 14 . 1 1 5 5 ARG HA H 5 4.222 4.222 3.846 0.376 19602 902 1 14 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.980 0.961 19602 903 1 14 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.576 3.150 19602 904 1 14 . 1 1 5 5 ARG H H 5 8.202 8.202 7.027 1.175 19602 905 1 14 . 1 1 6 6 ARG N N 6 122.830 122.830 119.738 3.092 19602 906 1 14 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.515 -0.267 19602 907 1 14 . 1 1 6 6 ARG CA C 6 56.035 56.035 54.394 1.641 19602 908 1 14 . 1 1 6 6 ARG CB C 6 30.604 30.604 31.448 -0.844 19602 909 1 14 . 1 1 6 6 ARG H H 6 8.114 8.114 7.532 0.582 19602 910 1 14 . 1 1 7 7 ASP N N 7 121.190 121.190 121.309 -0.119 19602 911 1 14 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.685 -0.050 19602 912 1 14 . 1 1 7 7 ASP CA C 7 54.216 54.216 55.444 -1.228 19602 913 1 14 . 1 1 7 7 ASP CB C 7 41.181 41.181 41.360 -0.179 19602 914 1 14 . 1 1 7 7 ASP H H 7 8.500 8.500 8.683 -0.183 19602 915 1 14 . 1 1 8 8 SER N N 8 116.370 116.370 114.539 1.831 19602 916 1 14 . 1 1 8 8 SER HA H 8 4.377 4.377 4.382 -0.005 19602 917 1 14 . 1 1 8 8 SER CA C 8 58.958 58.958 58.338 0.620 19602 918 1 14 . 1 1 8 8 SER CB C 8 63.528 63.528 63.192 0.336 19602 919 1 14 . 1 1 8 8 SER H H 8 8.436 8.436 8.333 0.103 19602 920 1 14 . 1 1 9 9 GLY N N 9 110.690 110.690 110.287 0.403 19602 921 1 14 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.460 -0.207 19602 922 1 14 . 1 1 9 9 GLY H H 9 8.586 8.586 7.884 0.702 19602 923 1 14 . 1 1 10 10 TYR N N 10 120.180 120.180 118.573 1.607 19602 924 1 14 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.582 -0.081 19602 925 1 14 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.162 1.089 19602 926 1 14 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.962 -2.212 19602 927 1 14 . 1 1 10 10 TYR H H 10 8.042 8.042 8.167 -0.125 19602 928 1 14 . 1 1 11 11 GLU N N 11 122.600 122.600 126.581 -3.981 19602 929 1 14 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.865 -0.871 19602 930 1 14 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.734 0.738 19602 931 1 14 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.690 -0.447 19602 932 1 14 . 1 1 11 11 GLU H H 11 8.455 8.455 9.095 -0.640 19602 933 1 14 . 1 1 12 12 VAL N N 12 121.210 121.210 124.843 -3.633 19602 934 1 14 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.565 0.367 19602 935 1 14 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.716 -2.990 19602 936 1 14 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.734 0.727 19602 937 1 14 . 1 1 12 12 VAL H H 12 8.153 8.153 8.542 -0.389 19602 938 1 14 . 1 1 13 13 HIS N N 13 122.230 122.230 118.365 3.865 19602 939 1 14 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.380 0.249 19602 940 1 14 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.935 -3.127 19602 941 1 14 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.587 0.664 19602 942 1 14 . 1 1 13 13 HIS H H 13 8.406 8.406 8.654 -0.248 19602 943 1 14 . 1 1 14 14 HIS N N 14 121.110 121.110 117.418 3.692 19602 944 1 14 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.461 0.132 19602 945 1 14 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.958 -1.903 19602 946 1 14 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.056 0.312 19602 947 1 14 . 1 1 14 14 HIS H H 14 8.348 8.348 7.781 0.567 19602 948 1 14 . 1 1 15 15 GLN N N 15 122.170 122.170 117.796 4.374 19602 949 1 14 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.394 -0.087 19602 950 1 14 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.268 -1.539 19602 951 1 14 . 1 1 15 15 GLN CB C 15 29.224 29.224 30.178 -0.954 19602 952 1 14 . 1 1 15 15 GLN H H 15 8.573 8.573 7.833 0.740 19602 953 1 15 . 1 1 2 2 ALA N N 2 123.820 123.820 126.423 -2.603 19602 954 1 15 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.065 0.166 19602 955 1 15 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.884 -1.863 19602 956 1 15 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.125 -0.220 19602 957 1 15 . 1 1 2 2 ALA H H 2 8.496 8.496 8.719 -0.223 19602 958 1 15 . 1 1 3 3 GLU N N 3 119.340 119.340 117.667 1.673 19602 959 1 15 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.958 0.185 19602 960 1 15 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.516 -1.625 19602 961 1 15 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.682 0.211 19602 962 1 15 . 1 1 3 3 GLU H H 3 8.369 8.369 8.270 0.099 19602 963 1 15 . 1 1 4 4 PHE N N 4 121.000 121.000 114.821 6.179 19602 964 1 15 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.504 0.054 19602 965 1 15 . 1 1 4 4 PHE CA C 4 57.911 57.911 59.139 -1.228 19602 966 1 15 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.633 -0.364 19602 967 1 15 . 1 1 4 4 PHE H H 4 8.183 8.183 7.678 0.505 19602 968 1 15 . 1 1 5 5 ARG N N 5 123.140 123.140 120.442 2.698 19602 969 1 15 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.216 0.006 19602 970 1 15 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.210 0.731 19602 971 1 15 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.955 2.771 19602 972 1 15 . 1 1 5 5 ARG H H 5 8.202 8.202 7.857 0.345 19602 973 1 15 . 1 1 6 6 ARG N N 6 122.830 122.830 120.280 2.550 19602 974 1 15 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.410 -0.162 19602 975 1 15 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.049 0.986 19602 976 1 15 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.688 -0.084 19602 977 1 15 . 1 1 6 6 ARG H H 6 8.114 8.114 7.820 0.294 19602 978 1 15 . 1 1 7 7 ASP N N 7 121.190 121.190 122.805 -1.615 19602 979 1 15 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.551 0.084 19602 980 1 15 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.137 -1.921 19602 981 1 15 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.804 0.376 19602 982 1 15 . 1 1 7 7 ASP H H 7 8.500 8.500 8.867 -0.367 19602 983 1 15 . 1 1 8 8 SER N N 8 116.370 116.370 114.018 2.352 19602 984 1 15 . 1 1 8 8 SER HA H 8 4.377 4.377 4.363 0.014 19602 985 1 15 . 1 1 8 8 SER CA C 8 58.958 58.958 58.248 0.710 19602 986 1 15 . 1 1 8 8 SER CB C 8 63.528 63.528 63.539 -0.011 19602 987 1 15 . 1 1 8 8 SER H H 8 8.436 8.436 8.446 -0.010 19602 988 1 15 . 1 1 9 9 GLY N N 9 110.690 110.690 108.723 1.967 19602 989 1 15 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.169 0.084 19602 990 1 15 . 1 1 9 9 GLY H H 9 8.586 8.586 7.680 0.906 19602 991 1 15 . 1 1 10 10 TYR N N 10 120.180 120.180 118.969 1.211 19602 992 1 15 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.721 -0.220 19602 993 1 15 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.571 0.680 19602 994 1 15 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.632 -1.882 19602 995 1 15 . 1 1 10 10 TYR H H 10 8.042 8.042 8.093 -0.051 19602 996 1 15 . 1 1 11 11 GLU N N 11 122.600 122.600 126.411 -3.811 19602 997 1 15 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.862 -0.868 19602 998 1 15 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.023 0.449 19602 999 1 15 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.394 -0.151 19602 1000 1 15 . 1 1 11 11 GLU H H 11 8.455 8.455 9.119 -0.664 19602 1001 1 15 . 1 1 12 12 VAL N N 12 121.210 121.210 126.271 -5.061 19602 1002 1 15 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.659 0.273 19602 1003 1 15 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.315 -1.589 19602 1004 1 15 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.424 1.037 19602 1005 1 15 . 1 1 12 12 VAL H H 12 8.153 8.153 8.732 -0.579 19602 1006 1 15 . 1 1 13 13 HIS N N 13 122.230 122.230 119.195 3.035 19602 1007 1 15 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.452 0.177 19602 1008 1 15 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.989 -2.181 19602 1009 1 15 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.218 1.033 19602 1010 1 15 . 1 1 13 13 HIS H H 13 8.406 8.406 8.578 -0.172 19602 1011 1 15 . 1 1 14 14 HIS N N 14 121.110 121.110 116.577 4.533 19602 1012 1 15 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.468 0.125 19602 1013 1 15 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.548 -1.493 19602 1014 1 15 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.495 -0.127 19602 1015 1 15 . 1 1 14 14 HIS H H 14 8.348 8.348 7.992 0.356 19602 1016 1 15 . 1 1 15 15 GLN N N 15 122.170 122.170 117.384 4.786 19602 1017 1 15 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.342 -0.035 19602 1018 1 15 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.083 -0.354 19602 1019 1 15 . 1 1 15 15 GLN CB C 15 29.224 29.224 32.138 -2.914 19602 1020 1 15 . 1 1 15 15 GLN H H 15 8.573 8.573 8.013 0.560 19602 1021 1 16 . 1 1 2 2 ALA N N 2 123.820 123.820 125.362 -1.542 19602 1022 1 16 . 1 1 2 2 ALA HA H 2 4.231 4.231 3.879 0.352 19602 1023 1 16 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.140 -2.119 19602 1024 1 16 . 1 1 2 2 ALA CB C 2 18.906 18.906 19.013 -0.107 19602 1025 1 16 . 1 1 2 2 ALA H H 2 8.496 8.496 8.576 -0.080 19602 1026 1 16 . 1 1 3 3 GLU N N 3 119.340 119.340 118.510 0.830 19602 1027 1 16 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.017 0.126 19602 1028 1 16 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.726 -1.835 19602 1029 1 16 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.453 0.440 19602 1030 1 16 . 1 1 3 3 GLU H H 3 8.369 8.369 8.760 -0.391 19602 1031 1 16 . 1 1 4 4 PHE N N 4 121.000 121.000 113.074 7.926 19602 1032 1 16 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.814 -0.256 19602 1033 1 16 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.231 1.680 19602 1034 1 16 . 1 1 4 4 PHE CB C 4 39.269 39.269 40.176 -0.907 19602 1035 1 16 . 1 1 4 4 PHE H H 4 8.183 8.183 7.645 0.538 19602 1036 1 16 . 1 1 5 5 ARG N N 5 123.140 123.140 123.480 -0.340 19602 1037 1 16 . 1 1 5 5 ARG HA H 5 4.222 4.222 3.959 0.263 19602 1038 1 16 . 1 1 5 5 ARG CA C 5 55.941 55.941 53.831 2.110 19602 1039 1 16 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.925 2.800 19602 1040 1 16 . 1 1 5 5 ARG H H 5 8.202 8.202 7.374 0.828 19602 1041 1 16 . 1 1 6 6 ARG N N 6 122.830 122.830 120.698 2.132 19602 1042 1 16 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.323 -0.075 19602 1043 1 16 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.467 0.568 19602 1044 1 16 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.812 -0.208 19602 1045 1 16 . 1 1 6 6 ARG H H 6 8.114 8.114 7.427 0.687 19602 1046 1 16 . 1 1 7 7 ASP N N 7 121.190 121.190 122.172 -0.982 19602 1047 1 16 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.760 -0.125 19602 1048 1 16 . 1 1 7 7 ASP CA C 7 54.216 54.216 55.485 -1.269 19602 1049 1 16 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.846 0.335 19602 1050 1 16 . 1 1 7 7 ASP H H 7 8.500 8.500 8.616 -0.116 19602 1051 1 16 . 1 1 8 8 SER N N 8 116.370 116.370 114.628 1.742 19602 1052 1 16 . 1 1 8 8 SER HA H 8 4.377 4.377 4.347 0.030 19602 1053 1 16 . 1 1 8 8 SER CA C 8 58.958 58.958 59.053 -0.095 19602 1054 1 16 . 1 1 8 8 SER CB C 8 63.528 63.528 63.513 0.015 19602 1055 1 16 . 1 1 8 8 SER H H 8 8.436 8.436 8.693 -0.257 19602 1056 1 16 . 1 1 9 9 GLY N N 9 110.690 110.690 108.361 2.329 19602 1057 1 16 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.199 0.054 19602 1058 1 16 . 1 1 9 9 GLY H H 9 8.586 8.586 7.989 0.597 19602 1059 1 16 . 1 1 10 10 TYR N N 10 120.180 120.180 118.857 1.323 19602 1060 1 16 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.638 -0.137 19602 1061 1 16 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.277 0.974 19602 1062 1 16 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.332 -1.582 19602 1063 1 16 . 1 1 10 10 TYR H H 10 8.042 8.042 7.668 0.374 19602 1064 1 16 . 1 1 11 11 GLU N N 11 122.600 122.600 124.580 -1.980 19602 1065 1 16 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.616 -0.622 19602 1066 1 16 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.191 0.281 19602 1067 1 16 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.542 -0.299 19602 1068 1 16 . 1 1 11 11 GLU H H 11 8.455 8.455 9.128 -0.673 19602 1069 1 16 . 1 1 12 12 VAL N N 12 121.210 121.210 127.107 -5.897 19602 1070 1 16 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.528 0.404 19602 1071 1 16 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.620 -2.894 19602 1072 1 16 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.722 0.739 19602 1073 1 16 . 1 1 12 12 VAL H H 12 8.153 8.153 8.688 -0.535 19602 1074 1 16 . 1 1 13 13 HIS N N 13 122.230 122.230 116.654 5.576 19602 1075 1 16 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.613 0.016 19602 1076 1 16 . 1 1 13 13 HIS CA C 13 55.808 55.808 57.925 -2.117 19602 1077 1 16 . 1 1 13 13 HIS CB C 13 30.251 30.251 28.852 1.399 19602 1078 1 16 . 1 1 13 13 HIS H H 13 8.406 8.406 8.042 0.364 19602 1079 1 16 . 1 1 14 14 HIS N N 14 121.110 121.110 115.623 5.487 19602 1080 1 16 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.697 -0.104 19602 1081 1 16 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.410 -1.355 19602 1082 1 16 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.418 -0.050 19602 1083 1 16 . 1 1 14 14 HIS H H 14 8.348 8.348 7.869 0.479 19602 1084 1 16 . 1 1 15 15 GLN N N 15 122.170 122.170 119.258 2.912 19602 1085 1 16 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.310 -0.003 19602 1086 1 16 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.901 -2.172 19602 1087 1 16 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.951 -0.727 19602 1088 1 16 . 1 1 15 15 GLN H H 15 8.573 8.573 7.883 0.690 19602 1089 1 17 . 1 1 2 2 ALA N N 2 123.820 123.820 124.490 -0.670 19602 1090 1 17 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.060 0.171 19602 1091 1 17 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.061 -2.040 19602 1092 1 17 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.993 -0.087 19602 1093 1 17 . 1 1 2 2 ALA H H 2 8.496 8.496 8.541 -0.045 19602 1094 1 17 . 1 1 3 3 GLU N N 3 119.340 119.340 116.845 2.495 19602 1095 1 17 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.983 0.160 19602 1096 1 17 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.008 -1.117 19602 1097 1 17 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.797 1.096 19602 1098 1 17 . 1 1 3 3 GLU H H 3 8.369 8.369 8.527 -0.158 19602 1099 1 17 . 1 1 4 4 PHE N N 4 121.000 121.000 115.282 5.718 19602 1100 1 17 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.700 -0.142 19602 1101 1 17 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.032 0.878 19602 1102 1 17 . 1 1 4 4 PHE CB C 4 39.269 39.269 40.152 -0.883 19602 1103 1 17 . 1 1 4 4 PHE H H 4 8.183 8.183 7.309 0.874 19602 1104 1 17 . 1 1 5 5 ARG N N 5 123.140 123.140 120.926 2.214 19602 1105 1 17 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.216 0.006 19602 1106 1 17 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.028 0.914 19602 1107 1 17 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.675 3.051 19602 1108 1 17 . 1 1 5 5 ARG H H 5 8.202 8.202 7.982 0.220 19602 1109 1 17 . 1 1 6 6 ARG N N 6 122.830 122.830 120.270 2.560 19602 1110 1 17 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.321 -0.073 19602 1111 1 17 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.965 0.070 19602 1112 1 17 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.531 0.073 19602 1113 1 17 . 1 1 6 6 ARG H H 6 8.114 8.114 7.721 0.393 19602 1114 1 17 . 1 1 7 7 ASP N N 7 121.190 121.190 119.924 1.266 19602 1115 1 17 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.446 0.189 19602 1116 1 17 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.114 -1.898 19602 1117 1 17 . 1 1 7 7 ASP CB C 7 41.181 41.181 41.387 -0.206 19602 1118 1 17 . 1 1 7 7 ASP H H 7 8.500 8.500 8.715 -0.215 19602 1119 1 17 . 1 1 8 8 SER N N 8 116.370 116.370 114.291 2.079 19602 1120 1 17 . 1 1 8 8 SER HA H 8 4.377 4.377 4.751 -0.374 19602 1121 1 17 . 1 1 8 8 SER CA C 8 58.958 58.958 58.091 0.867 19602 1122 1 17 . 1 1 8 8 SER CB C 8 63.528 63.528 65.097 -1.569 19602 1123 1 17 . 1 1 8 8 SER H H 8 8.436 8.436 7.924 0.512 19602 1124 1 17 . 1 1 9 9 GLY N N 9 110.690 110.690 109.804 0.886 19602 1125 1 17 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.167 0.086 19602 1126 1 17 . 1 1 9 9 GLY H H 9 8.586 8.586 8.097 0.489 19602 1127 1 17 . 1 1 10 10 TYR N N 10 120.180 120.180 119.207 0.973 19602 1128 1 17 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.787 -0.286 19602 1129 1 17 . 1 1 10 10 TYR CA C 10 58.251 58.251 58.492 -0.241 19602 1130 1 17 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.306 -1.556 19602 1131 1 17 . 1 1 10 10 TYR H H 10 8.042 8.042 8.226 -0.184 19602 1132 1 17 . 1 1 11 11 GLU N N 11 122.600 122.600 125.703 -3.103 19602 1133 1 17 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.730 -0.736 19602 1134 1 17 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.363 0.109 19602 1135 1 17 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.746 -0.503 19602 1136 1 17 . 1 1 11 11 GLU H H 11 8.455 8.455 8.850 -0.395 19602 1137 1 17 . 1 1 12 12 VAL N N 12 121.210 121.210 125.571 -4.361 19602 1138 1 17 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.490 0.442 19602 1139 1 17 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.473 -1.747 19602 1140 1 17 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.355 1.105 19602 1141 1 17 . 1 1 12 12 VAL H H 12 8.153 8.153 8.535 -0.382 19602 1142 1 17 . 1 1 13 13 HIS N N 13 122.230 122.230 118.665 3.565 19602 1143 1 17 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.137 0.492 19602 1144 1 17 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.465 -2.658 19602 1145 1 17 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.491 0.760 19602 1146 1 17 . 1 1 13 13 HIS H H 13 8.406 8.406 8.504 -0.098 19602 1147 1 17 . 1 1 14 14 HIS N N 14 121.110 121.110 116.339 4.771 19602 1148 1 17 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.366 0.227 19602 1149 1 17 . 1 1 14 14 HIS CA C 14 56.055 56.055 56.923 -0.868 19602 1150 1 17 . 1 1 14 14 HIS CB C 14 30.368 30.368 29.823 0.545 19602 1151 1 17 . 1 1 14 14 HIS H H 14 8.348 8.348 7.756 0.592 19602 1152 1 17 . 1 1 15 15 GLN N N 15 122.170 122.170 119.141 3.029 19602 1153 1 17 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.120 0.187 19602 1154 1 17 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.940 -1.211 19602 1155 1 17 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.322 -0.098 19602 1156 1 17 . 1 1 15 15 GLN H H 15 8.573 8.573 7.799 0.774 19602 1157 1 18 . 1 1 2 2 ALA N N 2 123.820 123.820 125.302 -1.482 19602 1158 1 18 . 1 1 2 2 ALA HA H 2 4.231 4.231 3.895 0.336 19602 1159 1 18 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.975 -1.954 19602 1160 1 18 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.644 0.262 19602 1161 1 18 . 1 1 2 2 ALA H H 2 8.496 8.496 8.325 0.171 19602 1162 1 18 . 1 1 3 3 GLU N N 3 119.340 119.340 117.019 2.321 19602 1163 1 18 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.157 -0.014 19602 1164 1 18 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.498 -1.607 19602 1165 1 18 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.386 0.507 19602 1166 1 18 . 1 1 3 3 GLU H H 3 8.369 8.369 8.779 -0.410 19602 1167 1 18 . 1 1 4 4 PHE N N 4 121.000 121.000 113.248 7.752 19602 1168 1 18 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.999 -0.441 19602 1169 1 18 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.464 1.447 19602 1170 1 18 . 1 1 4 4 PHE CB C 4 39.269 39.269 40.773 -1.504 19602 1171 1 18 . 1 1 4 4 PHE H H 4 8.183 8.183 7.482 0.701 19602 1172 1 18 . 1 1 5 5 ARG N N 5 123.140 123.140 122.204 0.936 19602 1173 1 18 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.178 0.044 19602 1174 1 18 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.644 1.297 19602 1175 1 18 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.518 3.208 19602 1176 1 18 . 1 1 5 5 ARG H H 5 8.202 8.202 7.447 0.755 19602 1177 1 18 . 1 1 6 6 ARG N N 6 122.830 122.830 120.347 2.483 19602 1178 1 18 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.499 -0.251 19602 1179 1 18 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.197 0.838 19602 1180 1 18 . 1 1 6 6 ARG CB C 6 30.604 30.604 31.364 -0.760 19602 1181 1 18 . 1 1 6 6 ARG H H 6 8.114 8.114 7.641 0.473 19602 1182 1 18 . 1 1 7 7 ASP N N 7 121.190 121.190 121.864 -0.674 19602 1183 1 18 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.641 -0.006 19602 1184 1 18 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.281 -2.065 19602 1185 1 18 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.464 0.717 19602 1186 1 18 . 1 1 7 7 ASP H H 7 8.500 8.500 8.480 0.020 19602 1187 1 18 . 1 1 8 8 SER N N 8 116.370 116.370 115.826 0.544 19602 1188 1 18 . 1 1 8 8 SER HA H 8 4.377 4.377 4.358 0.019 19602 1189 1 18 . 1 1 8 8 SER CA C 8 58.958 58.958 58.355 0.603 19602 1190 1 18 . 1 1 8 8 SER CB C 8 63.528 63.528 63.356 0.172 19602 1191 1 18 . 1 1 8 8 SER H H 8 8.436 8.436 8.526 -0.090 19602 1192 1 18 . 1 1 9 9 GLY N N 9 110.690 110.690 108.434 2.256 19602 1193 1 18 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.142 0.111 19602 1194 1 18 . 1 1 9 9 GLY H H 9 8.586 8.586 7.899 0.687 19602 1195 1 18 . 1 1 10 10 TYR N N 10 120.180 120.180 118.512 1.668 19602 1196 1 18 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.963 -0.462 19602 1197 1 18 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.613 0.638 19602 1198 1 18 . 1 1 10 10 TYR CB C 10 38.750 38.750 41.380 -2.630 19602 1199 1 18 . 1 1 10 10 TYR H H 10 8.042 8.042 8.623 -0.581 19602 1200 1 18 . 1 1 11 11 GLU N N 11 122.600 122.600 125.463 -2.863 19602 1201 1 18 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.770 -0.776 19602 1202 1 18 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.741 0.731 19602 1203 1 18 . 1 1 11 11 GLU CB C 11 30.243 30.243 31.242 -0.999 19602 1204 1 18 . 1 1 11 11 GLU H H 11 8.455 8.455 9.109 -0.654 19602 1205 1 18 . 1 1 12 12 VAL N N 12 121.210 121.210 126.041 -4.831 19602 1206 1 18 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.648 0.284 19602 1207 1 18 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.241 -2.515 19602 1208 1 18 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.335 1.125 19602 1209 1 18 . 1 1 12 12 VAL H H 12 8.153 8.153 8.691 -0.538 19602 1210 1 18 . 1 1 13 13 HIS N N 13 122.230 122.230 118.731 3.499 19602 1211 1 18 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.258 0.371 19602 1212 1 18 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.893 -3.085 19602 1213 1 18 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.527 0.723 19602 1214 1 18 . 1 1 13 13 HIS H H 13 8.406 8.406 8.657 -0.251 19602 1215 1 18 . 1 1 14 14 HIS N N 14 121.110 121.110 117.136 3.974 19602 1216 1 18 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.323 0.270 19602 1217 1 18 . 1 1 14 14 HIS CA C 14 56.055 56.055 58.283 -2.228 19602 1218 1 18 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.376 -0.008 19602 1219 1 18 . 1 1 14 14 HIS H H 14 8.348 8.348 7.774 0.574 19602 1220 1 18 . 1 1 15 15 GLN N N 15 122.170 122.170 118.431 3.739 19602 1221 1 18 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.259 0.048 19602 1222 1 18 . 1 1 15 15 GLN CA C 15 55.729 55.729 57.190 -1.461 19602 1223 1 18 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.442 -0.218 19602 1224 1 18 . 1 1 15 15 GLN H H 15 8.573 8.573 8.009 0.564 19602 1225 1 19 . 1 1 2 2 ALA N N 2 123.820 123.820 123.656 0.164 19602 1226 1 19 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.052 0.179 19602 1227 1 19 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.898 -1.877 19602 1228 1 19 . 1 1 2 2 ALA CB C 2 18.906 18.906 17.926 0.980 19602 1229 1 19 . 1 1 2 2 ALA H H 2 8.496 8.496 8.187 0.309 19602 1230 1 19 . 1 1 3 3 GLU N N 3 119.340 119.340 117.392 1.948 19602 1231 1 19 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.016 0.127 19602 1232 1 19 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.495 -1.604 19602 1233 1 19 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.765 1.128 19602 1234 1 19 . 1 1 3 3 GLU H H 3 8.369 8.369 8.612 -0.243 19602 1235 1 19 . 1 1 4 4 PHE N N 4 121.000 121.000 114.939 6.061 19602 1236 1 19 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.705 -0.147 19602 1237 1 19 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.377 1.534 19602 1238 1 19 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.502 -0.233 19602 1239 1 19 . 1 1 4 4 PHE H H 4 8.183 8.183 7.481 0.702 19602 1240 1 19 . 1 1 5 5 ARG N N 5 123.140 123.140 118.592 4.548 19602 1241 1 19 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.152 0.070 19602 1242 1 19 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.683 0.258 19602 1243 1 19 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.857 1.869 19602 1244 1 19 . 1 1 5 5 ARG H H 5 8.202 8.202 7.349 0.853 19602 1245 1 19 . 1 1 6 6 ARG N N 6 122.830 122.830 120.007 2.823 19602 1246 1 19 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.375 -0.127 19602 1247 1 19 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.467 0.569 19602 1248 1 19 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.761 -0.157 19602 1249 1 19 . 1 1 6 6 ARG H H 6 8.114 8.114 7.590 0.524 19602 1250 1 19 . 1 1 7 7 ASP N N 7 121.190 121.190 120.443 0.747 19602 1251 1 19 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.619 0.016 19602 1252 1 19 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.002 -1.786 19602 1253 1 19 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.772 0.409 19602 1254 1 19 . 1 1 7 7 ASP H H 7 8.500 8.500 8.556 -0.056 19602 1255 1 19 . 1 1 8 8 SER N N 8 116.370 116.370 116.820 -0.450 19602 1256 1 19 . 1 1 8 8 SER HA H 8 4.377 4.377 4.375 0.002 19602 1257 1 19 . 1 1 8 8 SER CA C 8 58.958 58.958 58.140 0.818 19602 1258 1 19 . 1 1 8 8 SER CB C 8 63.528 63.528 62.510 1.018 19602 1259 1 19 . 1 1 8 8 SER H H 8 8.436 8.436 8.391 0.045 19602 1260 1 19 . 1 1 9 9 GLY N N 9 110.690 110.690 110.797 -0.107 19602 1261 1 19 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.199 0.054 19602 1262 1 19 . 1 1 9 9 GLY H H 9 8.586 8.586 7.994 0.592 19602 1263 1 19 . 1 1 10 10 TYR N N 10 120.180 120.180 119.087 1.093 19602 1264 1 19 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.711 -0.210 19602 1265 1 19 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.719 0.532 19602 1266 1 19 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.446 -1.696 19602 1267 1 19 . 1 1 10 10 TYR H H 10 8.042 8.042 8.025 0.017 19602 1268 1 19 . 1 1 11 11 GLU N N 11 122.600 122.600 126.866 -4.266 19602 1269 1 19 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.755 -0.761 19602 1270 1 19 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.742 0.730 19602 1271 1 19 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.866 -0.623 19602 1272 1 19 . 1 1 11 11 GLU H H 11 8.455 8.455 9.101 -0.646 19602 1273 1 19 . 1 1 12 12 VAL N N 12 121.210 121.210 126.966 -5.756 19602 1274 1 19 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.456 0.476 19602 1275 1 19 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.635 -1.909 19602 1276 1 19 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.009 1.452 19602 1277 1 19 . 1 1 12 12 VAL H H 12 8.153 8.153 8.724 -0.571 19602 1278 1 19 . 1 1 13 13 HIS N N 13 122.230 122.230 119.086 3.144 19602 1279 1 19 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.238 0.391 19602 1280 1 19 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.819 -3.011 19602 1281 1 19 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.470 0.781 19602 1282 1 19 . 1 1 13 13 HIS H H 13 8.406 8.406 8.486 -0.080 19602 1283 1 19 . 1 1 14 14 HIS N N 14 121.110 121.110 116.945 4.165 19602 1284 1 19 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.579 0.014 19602 1285 1 19 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.999 -1.944 19602 1286 1 19 . 1 1 14 14 HIS CB C 14 30.368 30.368 29.781 0.587 19602 1287 1 19 . 1 1 14 14 HIS H H 14 8.348 8.348 7.686 0.662 19602 1288 1 19 . 1 1 15 15 GLN N N 15 122.170 122.170 119.262 2.908 19602 1289 1 19 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.052 0.255 19602 1290 1 19 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.999 -1.270 19602 1291 1 19 . 1 1 15 15 GLN CB C 15 29.224 29.224 29.030 0.194 19602 1292 1 19 . 1 1 15 15 GLN H H 15 8.573 8.573 7.912 0.661 19602 1293 1 20 . 1 1 2 2 ALA N N 2 123.820 123.820 123.284 0.536 19602 1294 1 20 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.054 0.177 19602 1295 1 20 . 1 1 2 2 ALA CA C 2 53.021 53.021 55.009 -1.988 19602 1296 1 20 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.840 0.066 19602 1297 1 20 . 1 1 2 2 ALA H H 2 8.496 8.496 8.580 -0.084 19602 1298 1 20 . 1 1 3 3 GLU N N 3 119.340 119.340 117.016 2.324 19602 1299 1 20 . 1 1 3 3 GLU HA H 3 4.143 4.143 3.950 0.193 19602 1300 1 20 . 1 1 3 3 GLU CA C 3 56.891 56.891 57.910 -1.019 19602 1301 1 20 . 1 1 3 3 GLU CB C 3 29.893 29.893 28.848 1.045 19602 1302 1 20 . 1 1 3 3 GLU H H 3 8.369 8.369 8.037 0.332 19602 1303 1 20 . 1 1 4 4 PHE N N 4 121.000 121.000 115.935 5.065 19602 1304 1 20 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.755 -0.197 19602 1305 1 20 . 1 1 4 4 PHE CA C 4 57.911 57.911 56.721 1.190 19602 1306 1 20 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.865 -0.596 19602 1307 1 20 . 1 1 4 4 PHE H H 4 8.183 8.183 7.582 0.601 19602 1308 1 20 . 1 1 5 5 ARG N N 5 123.140 123.140 120.297 2.843 19602 1309 1 20 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.150 0.072 19602 1310 1 20 . 1 1 5 5 ARG CA C 5 55.941 55.941 54.872 1.069 19602 1311 1 20 . 1 1 5 5 ARG CB C 5 30.726 30.726 27.704 3.022 19602 1312 1 20 . 1 1 5 5 ARG H H 5 8.202 8.202 7.574 0.628 19602 1313 1 20 . 1 1 6 6 ARG N N 6 122.830 122.830 120.097 2.733 19602 1314 1 20 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.394 -0.146 19602 1315 1 20 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.292 0.743 19602 1316 1 20 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.645 -0.041 19602 1317 1 20 . 1 1 6 6 ARG H H 6 8.114 8.114 7.656 0.458 19602 1318 1 20 . 1 1 7 7 ASP N N 7 121.190 121.190 119.707 1.483 19602 1319 1 20 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.590 0.045 19602 1320 1 20 . 1 1 7 7 ASP CA C 7 54.216 54.216 55.959 -1.743 19602 1321 1 20 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.804 0.377 19602 1322 1 20 . 1 1 7 7 ASP H H 7 8.500 8.500 8.725 -0.225 19602 1323 1 20 . 1 1 8 8 SER N N 8 116.370 116.370 116.361 0.009 19602 1324 1 20 . 1 1 8 8 SER HA H 8 4.377 4.377 4.536 -0.159 19602 1325 1 20 . 1 1 8 8 SER CA C 8 58.958 58.958 57.898 1.060 19602 1326 1 20 . 1 1 8 8 SER CB C 8 63.528 63.528 62.480 1.048 19602 1327 1 20 . 1 1 8 8 SER H H 8 8.436 8.436 8.461 -0.025 19602 1328 1 20 . 1 1 9 9 GLY N N 9 110.690 110.690 110.515 0.175 19602 1329 1 20 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.339 -0.086 19602 1330 1 20 . 1 1 9 9 GLY H H 9 8.586 8.586 7.707 0.879 19602 1331 1 20 . 1 1 10 10 TYR N N 10 120.180 120.180 119.598 0.582 19602 1332 1 20 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.696 -0.195 19602 1333 1 20 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.680 0.571 19602 1334 1 20 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.545 -1.795 19602 1335 1 20 . 1 1 10 10 TYR H H 10 8.042 8.042 8.044 -0.002 19602 1336 1 20 . 1 1 11 11 GLU N N 11 122.600 122.600 127.245 -4.645 19602 1337 1 20 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.867 -0.873 19602 1338 1 20 . 1 1 11 11 GLU CA C 11 56.472 56.472 56.114 0.358 19602 1339 1 20 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.165 0.078 19602 1340 1 20 . 1 1 11 11 GLU H H 11 8.455 8.455 9.135 -0.680 19602 1341 1 20 . 1 1 12 12 VAL N N 12 121.210 121.210 125.786 -4.576 19602 1342 1 20 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.453 0.479 19602 1343 1 20 . 1 1 12 12 VAL CA C 12 62.726 62.726 65.502 -2.776 19602 1344 1 20 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.743 0.718 19602 1345 1 20 . 1 1 12 12 VAL H H 12 8.153 8.153 8.720 -0.567 19602 1346 1 20 . 1 1 13 13 HIS N N 13 122.230 122.230 117.447 4.783 19602 1347 1 20 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.226 0.403 19602 1348 1 20 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.554 -2.746 19602 1349 1 20 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.522 0.729 19602 1350 1 20 . 1 1 13 13 HIS H H 13 8.406 8.406 8.468 -0.062 19602 1351 1 20 . 1 1 14 14 HIS N N 14 121.110 121.110 118.524 2.586 19602 1352 1 20 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.416 0.177 19602 1353 1 20 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.804 -1.749 19602 1354 1 20 . 1 1 14 14 HIS CB C 14 30.368 30.368 29.233 1.135 19602 1355 1 20 . 1 1 14 14 HIS H H 14 8.348 8.348 7.852 0.496 19602 1356 1 20 . 1 1 15 15 GLN N N 15 122.170 122.170 118.800 3.370 19602 1357 1 20 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.162 0.145 19602 1358 1 20 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.841 -1.112 19602 1359 1 20 . 1 1 15 15 GLN CB C 15 29.224 29.224 28.519 0.705 19602 1360 1 20 . 1 1 15 15 GLN H H 15 8.573 8.573 7.990 0.583 19602 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 14 3.575 -0.990 3.565 19602 2 1 1 "Average Difference" HA 15 0.332 0.061 0.338 19602 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19602 4 1 1 "Average Difference" CA 14 1.524 0.142 1.574 19602 5 1 1 "Average Difference" CB 13 1.482 0.233 1.523 19602 6 1 1 "Average Difference" HN 14 0.552 -0.186 0.539 19602 7 1 2 "Average Difference" N 14 2.922 -0.872 2.895 19602 8 1 2 "Average Difference" HA 15 0.265 0.011 0.275 19602 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19602 10 1 2 "Average Difference" CA 14 1.282 0.311 1.291 19602 11 1 2 "Average Difference" CB 13 1.177 -0.286 1.188 19602 12 1 2 "Average Difference" HN 14 0.502 -0.216 0.470 19602 13 1 3 "Average Difference" N 14 3.646 -1.416 3.487 19602 14 1 3 "Average Difference" HA 15 0.297 -0.023 0.307 19602 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19602 16 1 3 "Average Difference" CA 14 1.328 0.693 1.176 19602 17 1 3 "Average Difference" CB 13 1.080 -0.021 1.124 19602 18 1 3 "Average Difference" HN 14 0.467 -0.113 0.471 19602 19 1 4 "Average Difference" N 14 3.726 -1.563 3.510 19602 20 1 4 "Average Difference" HA 15 0.225 -0.010 0.232 19602 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19602 22 1 4 "Average Difference" CA 14 1.292 0.736 1.102 19602 23 1 4 "Average Difference" CB 13 1.209 -0.034 1.257 19602 24 1 4 "Average Difference" HN 14 0.558 -0.241 0.522 19602 25 1 5 "Average Difference" N 14 2.884 -1.655 2.451 19602 26 1 5 "Average Difference" HA 15 0.298 0.034 0.307 19602 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19602 28 1 5 "Average Difference" CA 14 1.446 0.364 1.452 19602 29 1 5 "Average Difference" CB 13 1.545 -0.117 1.603 19602 30 1 5 "Average Difference" HN 14 0.511 -0.138 0.510 19602 31 1 6 "Average Difference" N 14 3.496 -1.184 3.413 19602 32 1 6 "Average Difference" HA 15 0.301 -0.053 0.307 19602 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19602 34 1 6 "Average Difference" CA 14 1.236 0.645 1.094 19602 35 1 6 "Average Difference" CB 13 0.960 -0.187 0.980 19602 36 1 6 "Average Difference" HN 14 0.519 -0.175 0.507 19602 37 1 7 "Average Difference" N 14 3.081 -1.493 2.797 19602 38 1 7 "Average Difference" HA 15 0.266 -0.002 0.275 19602 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19602 40 1 7 "Average Difference" CA 14 1.328 0.576 1.242 19602 41 1 7 "Average Difference" CB 13 1.038 -0.338 1.022 19602 42 1 7 "Average Difference" HN 14 0.450 -0.177 0.429 19602 43 1 8 "Average Difference" N 14 3.565 -1.884 3.141 19602 44 1 8 "Average Difference" HA 15 0.249 -0.007 0.257 19602 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19602 46 1 8 "Average Difference" CA 14 1.031 0.502 0.934 19602 47 1 8 "Average Difference" CB 13 1.285 0.068 1.335 19602 48 1 8 "Average Difference" HN 14 0.512 -0.205 0.487 19602 49 1 9 "Average Difference" N 14 3.701 -1.904 3.293 19602 50 1 9 "Average Difference" HA 15 0.258 0.027 0.266 19602 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19602 52 1 9 "Average Difference" CA 14 1.643 0.599 1.588 19602 53 1 9 "Average Difference" CB 13 1.290 -0.155 1.333 19602 54 1 9 "Average Difference" HN 14 0.481 -0.079 0.493 19602 55 1 10 "Average Difference" N 14 3.295 -1.638 2.967 19602 56 1 10 "Average Difference" HA 15 0.282 -0.003 0.292 19602 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19602 58 1 10 "Average Difference" CA 14 1.400 0.755 1.223 19602 59 1 10 "Average Difference" CB 13 1.149 -0.251 1.167 19602 60 1 10 "Average Difference" HN 14 0.490 -0.082 0.501 19602 61 1 11 "Average Difference" N 14 3.220 -1.125 3.131 19602 62 1 11 "Average Difference" HA 15 0.284 -0.002 0.294 19602 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19602 64 1 11 "Average Difference" CA 14 1.399 0.603 1.310 19602 65 1 11 "Average Difference" CB 13 1.232 -0.240 1.258 19602 66 1 11 "Average Difference" HN 14 0.498 -0.139 0.496 19602 67 1 12 "Average Difference" N 14 2.877 -1.349 2.638 19602 68 1 12 "Average Difference" HA 15 0.286 0.003 0.296 19602 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19602 70 1 12 "Average Difference" CA 14 1.398 0.612 1.304 19602 71 1 12 "Average Difference" CB 13 1.249 -0.251 1.274 19602 72 1 12 "Average Difference" HN 14 0.437 -0.121 0.436 19602 73 1 13 "Average Difference" N 14 3.061 -0.940 3.023 19602 74 1 13 "Average Difference" HA 15 0.242 0.033 0.248 19602 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19602 76 1 13 "Average Difference" CA 14 1.490 0.516 1.450 19602 77 1 13 "Average Difference" CB 13 1.299 0.009 1.352 19602 78 1 13 "Average Difference" HN 14 0.439 -0.121 0.438 19602 79 1 14 "Average Difference" N 14 3.509 -1.635 3.222 19602 80 1 14 "Average Difference" HA 15 0.299 0.018 0.309 19602 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19602 82 1 14 "Average Difference" CA 14 1.673 0.380 1.690 19602 83 1 14 "Average Difference" CB 13 1.264 0.081 1.313 19602 84 1 14 "Average Difference" HN 14 0.567 -0.184 0.557 19602 85 1 15 "Average Difference" N 14 3.462 -1.278 3.339 19602 86 1 15 "Average Difference" HA 15 0.264 -0.000 0.273 19602 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19602 88 1 15 "Average Difference" CA 14 1.299 0.615 1.187 19602 89 1 15 "Average Difference" CB 13 1.309 0.025 1.362 19602 90 1 15 "Average Difference" HN 14 0.441 -0.071 0.452 19602 91 1 16 "Average Difference" N 14 3.685 -1.394 3.540 19602 92 1 16 "Average Difference" HA 15 0.245 -0.005 0.253 19602 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19602 94 1 16 "Average Difference" CA 14 1.637 0.585 1.587 19602 95 1 16 "Average Difference" CB 13 1.062 -0.142 1.095 19602 96 1 16 "Average Difference" HN 14 0.518 -0.179 0.505 19602 97 1 17 "Average Difference" N 14 3.068 -1.530 2.760 19602 98 1 17 "Average Difference" HA 15 0.316 -0.046 0.323 19602 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19602 100 1 17 "Average Difference" CA 14 1.303 0.633 1.183 19602 101 1 17 "Average Difference" CB 13 1.196 -0.133 1.237 19602 102 1 17 "Average Difference" HN 14 0.450 -0.170 0.432 19602 103 1 18 "Average Difference" N 14 3.348 -1.380 3.165 19602 104 1 18 "Average Difference" HA 15 0.315 0.031 0.325 19602 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19602 106 1 18 "Average Difference" CA 14 1.678 0.661 1.600 19602 107 1 18 "Average Difference" CB 13 1.352 -0.046 1.406 19602 108 1 18 "Average Difference" HN 14 0.516 -0.102 0.525 19602 109 1 19 "Average Difference" N 14 3.362 -1.216 3.252 19602 110 1 19 "Average Difference" HA 15 0.280 -0.031 0.288 19602 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19602 112 1 19 "Average Difference" CA 14 1.503 0.636 1.413 19602 113 1 19 "Average Difference" CB 13 1.014 -0.439 0.952 19602 114 1 19 "Average Difference" HN 14 0.509 -0.198 0.487 19602 115 1 20 "Average Difference" N 14 3.081 -1.233 2.930 19602 116 1 20 "Average Difference" HA 15 0.306 -0.013 0.317 19602 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19602 118 1 20 "Average Difference" CA 14 1.518 0.588 1.453 19602 119 1 20 "Average Difference" CB 13 1.173 -0.499 1.105 19602 120 1 20 "Average Difference" HN 14 0.484 -0.166 0.472 19602 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 19602 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 123.820 123.820 124.531 -0.711 19602 2 1 . 1 1 2 2 ALA HA H 2 4.231 4.231 4.058 0.173 19602 3 1 . 1 1 2 2 ALA CA C 2 53.021 53.021 54.776 -1.755 19602 4 1 . 1 1 2 2 ALA CB C 2 18.906 18.906 18.863 0.043 19602 5 1 . 1 1 2 2 ALA H H 2 8.496 8.496 8.509 -0.013 19602 6 1 . 1 1 3 3 GLU N N 3 119.340 119.340 117.342 1.998 19602 7 1 . 1 1 3 3 GLU HA H 3 4.143 4.143 4.018 0.125 19602 8 1 . 1 1 3 3 GLU CA C 3 56.891 56.891 58.268 -1.377 19602 9 1 . 1 1 3 3 GLU CB C 3 29.893 29.893 29.151 0.742 19602 10 1 . 1 1 3 3 GLU H H 3 8.369 8.369 8.522 -0.153 19602 11 1 . 1 1 4 4 PHE N N 4 121.000 121.000 115.537 5.463 19602 12 1 . 1 1 4 4 PHE HA H 4 4.558 4.558 4.708 -0.150 19602 13 1 . 1 1 4 4 PHE CA C 4 57.911 57.911 57.401 0.510 19602 14 1 . 1 1 4 4 PHE CB C 4 39.269 39.269 39.848 -0.579 19602 15 1 . 1 1 4 4 PHE H H 4 8.183 8.183 7.520 0.663 19602 16 1 . 1 1 5 5 ARG N N 5 123.140 123.140 120.536 2.604 19602 17 1 . 1 1 5 5 ARG HA H 5 4.222 4.222 4.146 0.076 19602 18 1 . 1 1 5 5 ARG CA C 5 55.941 55.941 55.121 0.820 19602 19 1 . 1 1 5 5 ARG CB C 5 30.726 30.726 28.082 2.644 19602 20 1 . 1 1 5 5 ARG H H 5 8.202 8.202 7.589 0.613 19602 21 1 . 1 1 6 6 ARG N N 6 122.830 122.830 120.139 2.691 19602 22 1 . 1 1 6 6 ARG HA H 6 4.248 4.248 4.432 -0.184 19602 23 1 . 1 1 6 6 ARG CA C 6 56.035 56.035 55.037 0.998 19602 24 1 . 1 1 6 6 ARG CB C 6 30.604 30.604 30.838 -0.234 19602 25 1 . 1 1 6 6 ARG H H 6 8.114 8.114 7.662 0.452 19602 26 1 . 1 1 7 7 ASP N N 7 121.190 121.190 121.618 -0.428 19602 27 1 . 1 1 7 7 ASP HA H 7 4.635 4.635 4.584 0.051 19602 28 1 . 1 1 7 7 ASP CA C 7 54.216 54.216 56.098 -1.882 19602 29 1 . 1 1 7 7 ASP CB C 7 41.181 41.181 40.765 0.416 19602 30 1 . 1 1 7 7 ASP H H 7 8.500 8.500 8.680 -0.180 19602 31 1 . 1 1 8 8 SER N N 8 116.370 116.370 115.196 1.174 19602 32 1 . 1 1 8 8 SER HA H 8 4.377 4.377 4.394 -0.017 19602 33 1 . 1 1 8 8 SER CA C 8 58.958 58.958 58.512 0.446 19602 34 1 . 1 1 8 8 SER CB C 8 63.528 63.528 63.285 0.243 19602 35 1 . 1 1 8 8 SER H H 8 8.436 8.436 8.421 0.015 19602 36 1 . 1 1 9 9 GLY N N 9 110.690 110.690 109.488 1.202 19602 37 1 . 1 1 9 9 GLY CA C 9 45.253 45.253 45.231 0.022 19602 38 1 . 1 1 9 9 GLY H H 9 8.586 8.586 7.800 0.786 19602 39 1 . 1 1 10 10 TYR N N 10 120.180 120.180 118.937 1.243 19602 40 1 . 1 1 10 10 TYR HA H 10 4.501 4.501 4.741 -0.240 19602 41 1 . 1 1 10 10 TYR CA C 10 58.251 58.251 57.663 0.588 19602 42 1 . 1 1 10 10 TYR CB C 10 38.750 38.750 40.799 -2.049 19602 43 1 . 1 1 10 10 TYR H H 10 8.042 8.042 8.113 -0.071 19602 44 1 . 1 1 11 11 GLU N N 11 122.600 122.600 125.720 -3.120 19602 45 1 . 1 1 11 11 GLU HA H 11 3.994 3.994 4.743 -0.749 19602 46 1 . 1 1 11 11 GLU CA C 11 56.472 56.472 55.942 0.530 19602 47 1 . 1 1 11 11 GLU CB C 11 30.243 30.243 30.801 -0.558 19602 48 1 . 1 1 11 11 GLU H H 11 8.455 8.455 9.066 -0.611 19602 49 1 . 1 1 12 12 VAL N N 12 121.210 121.210 126.229 -5.019 19602 50 1 . 1 1 12 12 VAL HA H 12 3.932 3.932 3.522 0.410 19602 51 1 . 1 1 12 12 VAL CA C 12 62.726 62.726 64.909 -2.183 19602 52 1 . 1 1 12 12 VAL CB C 12 32.461 32.461 31.391 1.070 19602 53 1 . 1 1 12 12 VAL H H 12 8.153 8.153 8.629 -0.476 19602 54 1 . 1 1 13 13 HIS N N 13 122.230 122.230 118.076 4.154 19602 55 1 . 1 1 13 13 HIS HA H 13 4.629 4.629 4.333 0.296 19602 56 1 . 1 1 13 13 HIS CA C 13 55.808 55.808 58.186 -2.378 19602 57 1 . 1 1 13 13 HIS CB C 13 30.251 30.251 29.305 0.946 19602 58 1 . 1 1 13 13 HIS H H 13 8.406 8.406 8.421 -0.015 19602 59 1 . 1 1 14 14 HIS N N 14 121.110 121.110 116.374 4.736 19602 60 1 . 1 1 14 14 HIS HA H 14 4.593 4.593 4.593 -0.001 19602 61 1 . 1 1 14 14 HIS CA C 14 56.055 56.055 57.244 -1.189 19602 62 1 . 1 1 14 14 HIS CB C 14 30.368 30.368 30.209 0.159 19602 63 1 . 1 1 14 14 HIS H H 14 8.348 8.348 7.865 0.483 19602 64 1 . 1 1 15 15 GLN N N 15 122.170 122.170 118.780 3.390 19602 65 1 . 1 1 15 15 GLN HA H 15 4.307 4.307 4.294 0.013 19602 66 1 . 1 1 15 15 GLN CA C 15 55.729 55.729 56.686 -0.957 19602 67 1 . 1 1 15 15 GLN CB C 15 29.224 29.224 30.296 -1.072 19602 68 1 . 1 1 15 15 GLN H H 15 8.573 8.573 7.923 0.650 19602 stop_ save_