============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 16 1.040 52.030 4.029 17.151 -99.200 -91.000 TRP6 16 1.020 52.607 1.757 17.495 -99.200 -91.000 TYR 37 0.840 46.028 -2.801 29.826 -99.200 -91.000 TRP 58 1.040 42.484 9.609 40.947 -99.200 -91.000 TRP6 58 1.020 42.354 7.480 39.989 -99.200 -91.000 TYR 66 0.840 43.839 -8.617 37.978 -99.200 -91.000 HIS 68 0.900 40.196 -14.880 37.456 -99.200 -91.000 TYR 73 0.840 45.494 -3.545 38.512 -99.200 -91.000 HIS 86 0.900 48.993 2.516 49.209 -99.200 -91.000 TRP 99 1.040 54.140 2.698 22.117 -99.200 -91.000 TRP6 99 1.020 52.383 1.217 22.627 -99.200 -91.000 PHE 111 1.000 43.948 12.909 27.475 -99.200 -91.000 TYR 121 0.840 50.947 21.676 41.022 -99.200 -91.000 PHE 127 1.000 48.948 10.890 37.827 -99.200 -91.000 TYR 128 0.840 47.101 17.279 43.200 -99.200 -91.000 HIS 133 0.900 46.820 27.685 27.717 -99.200 -91.000 TYR 143 0.840 48.829 16.412 26.565 -99.200 -91.000 PHE 147 1.000 48.088 20.598 37.425 -99.200 -91.000 TYR 152 0.840 46.534 30.915 40.910 -99.200 -91.000 TYR 156 0.840 40.049 26.395 35.836 -99.200 -91.000 TYR 166 0.840 55.063 11.286 34.686 -99.200 -91.000