============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 12 0.900 15.299 35.061 24.957 -99.200 -91.000 PHE 14 1.000 15.089 28.035 22.448 -99.200 -91.000 PHE 18 1.000 1.873 31.538 20.649 -99.200 -91.000 PHE 19 1.000 1.619 40.582 19.784 -99.200 -91.000 PHE 24 1.000 5.027 39.979 24.972 -99.200 -91.000 PHE 25 1.000 -2.375 35.004 24.299 -99.200 -91.000 TRP 35 1.040 5.365 24.089 9.955 -99.200 -91.000 TRP6 35 1.020 3.113 23.379 10.094 -99.200 -91.000 HIS 41 0.900 -2.876 25.968 28.697 -99.200 -91.000 PHE 47 1.000 -2.809 33.035 18.351 -99.200 -91.000 HIS 54 0.900 16.367 39.571 26.939 -99.200 -91.000 PHE 72 1.000 -2.534 22.273 10.771 -99.200 -91.000 HIS 100 0.900 18.952 39.776 19.249 -99.200 -91.000 TRP 122 1.040 8.822 38.016 27.875 -99.200 -91.000 TRP6 122 1.020 9.081 36.593 26.003 -99.200 -91.000 PHE 132 1.000 1.631 38.856 34.342 -99.200 -91.000 TYR 137 0.840 13.138 37.776 35.887 -99.200 -91.000 HIS 146 0.900 3.073 10.954 35.618 -99.200 -91.000 TYR 153 0.840 -0.480 19.396 39.950 -99.200 -91.000 TYR 160 0.840 -5.186 13.650 31.296 -99.200 -91.000 PHE 189 1.000 9.894 21.961 22.154 -99.200 -91.000 TYR 195 0.840 -3.604 21.773 35.661 -99.200 -91.000 HIS 198 0.900 -1.885 31.989 42.323 -99.200 -91.000 TYR 209 0.840 7.041 21.935 32.738 -99.200 -91.000 PHE 213 1.000 10.977 10.357 21.801 -99.200 -91.000 TYR 215 0.840 1.358 14.537 22.122 -99.200 -91.000 TRP 218 1.040 -0.572 15.021 15.250 -99.200 -91.000 TRP6 218 1.020 -0.475 17.165 16.251 -99.200 -91.000