============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 -2.144 17.738 -10.596 -99.200 -91.000 PHE 21 1.000 -17.219 9.020 -0.153 -99.200 -91.000 PHE 36 1.000 -14.855 12.911 -14.138 -99.200 -91.000 PHE 38 1.000 -17.146 5.824 -14.813 -99.200 -91.000 TYR 47 0.840 -12.914 9.757 -4.803 -99.200 -91.000 PHE 64 1.000 -14.960 25.622 -9.415 -99.200 -91.000 HIS 75 0.900 0.417 28.543 -3.675 -99.200 -91.000 HIS 96 0.900 -22.109 26.551 -8.524 -99.200 -91.000 PHE 99 1.000 -26.568 19.090 -13.175 -99.200 -91.000 TYR 107 0.840 -19.944 12.363 -11.995 -99.200 -91.000 PHE 113 1.000 -13.622 21.946 -13.165 -99.200 -91.000 PHE 121 1.000 -10.342 17.291 -14.756 -99.200 -91.000 TRP 123 1.040 -11.657 13.811 -9.352 -99.200 -91.000 TRP6 123 1.020 -12.254 16.095 -9.223 -99.200 -91.000