============================================================================= 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 1 1.000 25.058 -58.270 -3.246 -99.200 -91.000 PHE 9 1.000 19.497 -47.421 10.140 -99.200 -91.000 HIS 13 0.900 13.394 -42.428 15.533 -99.200 -91.000 PHE 19 1.000 17.819 -41.807 15.644 -99.200 -91.000 TYR 21 0.840 17.027 -50.539 19.807 -99.200 -91.000 TYR 32 0.840 25.439 -40.580 12.759 -99.200 -91.000 HIS 33 0.900 30.397 -45.357 18.226 -99.200 -91.000 TYR 43 0.840 11.553 -33.729 11.638 -99.200 -91.000 PHE 45 1.000 21.313 -37.379 13.288 -99.200 -91.000 TYR 46 0.840 14.503 -36.875 8.614 -99.200 -91.000 HIS 47 0.900 20.596 -32.920 1.125 -99.200 -91.000 HIS 58 0.900 6.971 -36.519 13.149 -99.200 -91.000 TYR 72 0.840 14.903 -40.780 4.914 -99.200 -91.000 HIS 78 0.900 33.564 -40.459 10.879 -99.200 -91.000 TYR 81 0.840 23.741 -35.204 3.694 -99.200 -91.000 TRP 83 1.040 20.398 -41.060 -2.471 -99.200 -91.000 TRP6 83 1.020 18.529 -39.634 -2.681 -99.200 -91.000 TYR 92 0.840 -1.342 -45.197 18.288 -99.200 -91.000 TYR 101 0.840 17.243 -52.077 1.700 -99.200 -91.000