============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 4 1.000 99.067 37.256 172.087 -99.200 -91.000 TRP 9 1.040 108.804 28.153 174.858 -99.200 -91.000 TRP6 9 1.020 107.321 29.389 173.500 -99.200 -91.000 PHE 22 1.000 102.627 11.376 149.040 -99.200 -91.000 PHE 26 1.000 107.189 17.744 164.422 -99.200 -91.000 PHE 37 1.000 98.256 29.296 169.136 -99.200 -91.000 TYR 42 0.840 104.567 32.222 160.144 -99.200 -91.000 TYR 50 0.840 118.272 16.895 157.325 -99.200 -91.000 TYR 54 0.840 112.120 11.089 151.708 -99.200 -91.000 TYR 57 0.840 111.060 10.158 155.928 -99.200 -91.000 PHE 63 1.000 97.641 7.261 156.049 -99.200 -91.000 TRP 67 1.040 104.576 7.384 151.420 -99.200 -91.000 TRP6 67 1.020 106.347 8.742 152.169 -99.200 -91.000 TRP 72 1.040 108.754 3.025 150.478 -99.200 -91.000 TRP6 72 1.020 108.285 3.521 152.736 -99.200 -91.000 TYR 86 0.840 106.839 23.319 158.474 -99.200 -91.000 TYR 90 0.840 90.912 24.759 171.453 -99.200 -91.000 PHE 108 1.000 107.218 9.888 139.232 -99.200 -91.000 TRP 115 1.040 111.186 10.036 143.482 -99.200 -91.000 TRP6 115 1.020 109.149 11.077 144.044 -99.200 -91.000 TYR 127 0.840 115.374 17.601 161.800 -99.200 -91.000 PHE 129 1.000 106.581 13.444 156.298 -99.200 -91.000 TYR 141 0.840 108.020 34.048 164.029 -99.200 -91.000 PHE 144 1.000 94.256 32.779 157.067 -99.200 -91.000 HIS 145 0.900 96.219 37.132 163.672 -99.200 -91.000 TYR 154 0.840 87.335 29.400 158.220 -99.200 -91.000 HIS 169 0.900 89.679 31.657 169.305 -99.200 -91.000 PHE 171 1.000 81.525 27.005 165.070 -99.200 -91.000 TYR 182 0.840 87.710 23.394 156.615 -99.200 -91.000 TRP 183 1.040 82.215 24.813 151.435 -99.200 -91.000 TRP6 183 1.020 80.600 23.673 150.144 -99.200 -91.000 TYR 184 0.840 91.261 19.134 153.591 -99.200 -91.000 PHE 193 1.000 94.599 15.911 157.630 -99.200 -91.000 TYR 194 0.840 93.470 17.158 162.331 -99.200 -91.000 PHE 198 1.000 87.018 20.364 160.902 -99.200 -91.000 PHE 205 1.000 78.743 25.387 168.623 -99.200 -91.000 PHE 208 1.000 81.785 23.649 161.199 -99.200 -91.000 PHE 210 1.000 84.635 18.786 157.236 -99.200 -91.000 HIS 211 0.900 78.977 21.410 152.894 -99.200 -91.000 TRP 223 1.040 82.875 11.128 147.760 -99.200 -91.000 TRP6 223 1.020 83.014 11.348 150.099 -99.200 -91.000 TYR 226 0.840 78.454 18.534 147.946 -99.200 -91.000 PHE 229 1.000 89.658 20.771 139.135 -99.200 -91.000 HIS 231 0.900 87.525 25.837 140.819 -99.200 -91.000 TYR 235 0.840 79.699 29.220 140.048 -99.200 -91.000 TYR 238 0.840 76.659 28.571 150.999 -99.200 -91.000 HIS 242 0.900 75.130 33.444 149.854 -99.200 -91.000 TYR 250 0.840 83.976 33.979 149.733 -99.200 -91.000 TYR 251 0.840 88.234 34.329 157.517 -99.200 -91.000 PHE 273 1.000 89.671 38.570 155.155 -99.200 -91.000 PHE 274 1.000 96.269 32.052 149.154 -99.200 -91.000 PHE 277 1.000 100.523 26.683 154.535 -99.200 -91.000