============================================================================= 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. TYR 2 0.840 15.947 32.763 -6.539 -99.200 -91.000 PHE 8 1.000 16.940 28.091 -9.855 -99.200 -91.000 HIS 17 0.900 2.383 20.482 -3.805 -99.200 -91.000 TRP 36 1.040 14.825 25.972 -0.022 -99.200 -91.000 TRP6 36 1.020 13.736 24.326 1.279 -99.200 -91.000 PHE 57 1.000 9.940 38.243 11.247 -99.200 -91.000 HIS 65 0.900 27.813 35.444 8.369 -99.200 -91.000 PHE 67 1.000 28.605 36.508 3.582 -99.200 -91.000 PHE 74 1.000 19.130 35.350 6.769 -99.200 -91.000 PHE 112 1.000 30.539 4.693 7.347 -99.200 -91.000 HIS 117 0.900 19.765 7.496 3.085 -99.200 -91.000 PHE 141 1.000 7.797 19.968 9.834 -99.200 -91.000 TRP 146 1.040 19.645 13.201 1.731 -99.200 -91.000 TRP6 146 1.020 21.055 13.537 3.603 -99.200 -91.000 PHE 162 1.000 1.686 19.247 10.383 -99.200 -91.000 TYR 174 0.840 12.288 18.896 -1.005 -99.200 -91.000 PHE 175 1.000 7.951 12.382 4.465 -99.200 -91.000 TYR 180 0.840 0.821 21.492 14.491 -99.200 -91.000 HIS 181 0.900 -4.926 17.127 12.832 -99.200 -91.000