============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 12 1.000 -9.812 63.578 59.937 -99.200 -91.000 TYR 14 0.840 -19.867 58.144 58.812 -99.200 -91.000 HIS 26 0.900 -0.556 60.460 59.757 -99.200 -91.000 TYR 42 0.840 -20.370 64.816 64.900 -99.200 -91.000 PHE 43 1.000 -14.645 69.735 56.704 -99.200 -91.000 HIS 61 0.900 -15.059 59.667 51.476 -99.200 -91.000 TYR 86 0.840 -32.712 63.842 56.730 -99.200 -91.000 PHE 87 1.000 -26.264 63.906 50.313 -99.200 -91.000 TRP 88 1.040 -32.986 60.070 46.126 -99.200 -91.000 TRP6 88 1.020 -35.046 59.242 46.914 -99.200 -91.000 HIS 89 0.900 -29.450 52.369 51.383 -99.200 -91.000 PHE 93 1.000 -25.823 56.862 43.737 -99.200 -91.000 TYR 103 0.840 -19.994 71.217 37.789 -99.200 -91.000 TRP 106 1.040 -20.671 65.080 44.489 -99.200 -91.000 TRP6 106 1.020 -20.052 63.473 42.864 -99.200 -91.000 PHE 113 1.000 -11.089 69.572 52.679 -99.200 -91.000 HIS 121 0.900 -7.058 62.369 48.111 -99.200 -91.000 HIS 125 0.900 -20.235 57.404 52.499 -99.200 -91.000 HIS 126 0.900 -22.266 54.543 50.749 -99.200 -91.000 HIS 129 0.900 -14.582 58.687 42.339 -99.200 -91.000 TYR 146 0.840 -13.250 73.771 42.930 -99.200 -91.000 TYR 162 0.840 -15.988 53.478 35.378 -99.200 -91.000 TYR 166 0.840 -9.600 58.920 36.546 -99.200 -91.000 TYR 176 0.840 -11.751 46.266 44.762 -99.200 -91.000 PHE 178 1.000 -7.312 46.226 55.857 -99.200 -91.000 TYR 179 0.840 -16.324 46.615 53.459 -99.200 -91.000 PHE 202 1.000 1.140 50.093 42.600 -99.200 -91.000 HIS 207 0.900 -13.860 52.235 54.491 -99.200 -91.000 PHE 210 1.000 -9.400 55.145 68.703 -99.200 -91.000 TYR 221 0.840 -16.444 47.943 57.622 -99.200 -91.000 TYR 250 0.840 -4.875 60.681 45.959 -99.200 -91.000