============================================================================= 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. PHE 7 1.000 1.832 11.456 26.025 -99.200 -91.000 PHE 26 1.000 9.456 10.062 31.379 -99.200 -91.000 PHE 31 1.000 14.553 0.677 42.262 -99.200 -91.000 HIS 32 0.900 11.997 6.414 46.284 -99.200 -91.000 PHE 34 1.000 14.194 -0.972 51.465 -99.200 -91.000 PHE 43 1.000 -1.451 14.278 37.090 -99.200 -91.000 PHE 57 1.000 5.955 11.883 28.169 -99.200 -91.000 TRP 60 1.040 -4.564 10.243 35.734 -99.200 -91.000 TRP6 60 1.020 -5.150 10.711 37.976 -99.200 -91.000 TYR 68 0.840 -6.750 0.069 45.323 -99.200 -91.000 HIS 69 0.900 -10.355 -5.099 36.552 -99.200 -91.000 TYR 75 0.840 -7.490 6.601 38.239 -99.200 -91.000 TYR 76 0.840 -9.662 1.768 30.965 -99.200 -91.000 TYR 86 0.840 5.990 -8.664 30.725 -99.200 -91.000 PHE 94 1.000 3.802 -12.347 28.581 -99.200 -91.000 TRP 100 1.040 -4.295 -4.603 33.937 -99.200 -91.000 TRP6 100 1.020 -6.138 -3.255 34.574 -99.200 -91.000 PHE 131 1.000 13.296 -8.953 23.764 -99.200 -91.000 TYR 137 0.840 0.458 -10.059 24.193 -99.200 -91.000 PHE 145 1.000 8.624 -6.745 25.046 -99.200 -91.000 PHE 160 1.000 7.346 6.743 31.065 -99.200 -91.000