============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 9 1.000 -7.645 16.969 66.748 -99.200 -91.000 PHE 24 1.000 -12.877 21.394 71.407 -99.200 -91.000 TRP 40 1.040 -7.521 -0.106 66.362 -99.200 -91.000 TRP6 40 1.020 -8.180 -0.192 64.091 -99.200 -91.000 TYR 43 0.840 -11.872 8.822 73.575 -99.200 -91.000 HIS 44 0.900 -19.972 9.769 69.526 -99.200 -91.000 HIS 47 0.900 -17.035 23.346 70.073 -99.200 -91.000 PHE 78 1.000 -8.144 1.474 54.635 -99.200 -91.000 PHE 98 1.000 17.611 16.307 65.770 -99.200 -91.000 PHE 109 1.000 8.904 22.902 66.496 -99.200 -91.000 PHE 116 1.000 7.465 6.329 56.447 -99.200 -91.000 HIS 117 0.900 13.736 8.393 61.749 -99.200 -91.000 PHE 126 1.000 11.779 -1.198 45.151 -99.200 -91.000 TYR 129 0.840 7.271 2.628 48.817 -99.200 -91.000 PHE 137 1.000 -4.832 21.800 52.932 -99.200 -91.000 TYR 186 0.840 1.548 4.658 51.645 -99.200 -91.000 PHE 197 1.000 1.708 15.175 59.694 -99.200 -91.000 PHE 215 1.000 7.595 9.411 75.680 -99.200 -91.000 PHE 236 1.000 -7.048 29.807 61.963 -99.200 -91.000