============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 2 1.000 72.388 -19.832-101.902 -99.200 -91.000 HIS 8 0.900 70.519 -7.457-114.873 -99.200 -91.000 TYR 32 0.840 69.078 -23.079 -96.018 -99.200 -91.000 TYR 33 0.840 63.990 -17.119 -90.381 -99.200 -91.000 TRP 36 1.040 63.622 -9.058 -99.383 -99.200 -91.000 TRP6 36 1.020 63.903 -9.112-101.734 -99.200 -91.000 TYR 37 0.840 70.527 -6.968 -96.148 -99.200 -91.000 PHE 50 1.000 64.710 -8.904 -88.513 -99.200 -91.000 PHE 63 1.000 59.924 0.153 -98.197 -99.200 -91.000 TYR 87 0.840 64.701 -1.047-102.541 -99.200 -91.000 TYR 88 0.840 72.443 -4.914-103.706 -99.200 -91.000 TYR 92 0.840 70.674 -18.604 -93.689 -99.200 -91.000 TYR 95 0.840 81.772 -22.871 -95.713 -99.200 -91.000 PHE 99 1.000 74.723 -9.612 -99.336 -99.200 -91.000 PHE 120 1.000 83.933 27.916-109.752 -99.200 -91.000 PHE 141 1.000 72.559 15.929-114.960 -99.200 -91.000 TYR 142 0.840 64.511 12.277-113.197 -99.200 -91.000 TRP 150 1.040 84.794 21.111-121.924 -99.200 -91.000 TRP6 150 1.020 85.202 22.635-120.164 -99.200 -91.000 TYR 174 0.840 70.323 10.818-112.248 -99.200 -91.000 TYR 179 0.840 87.178 18.098-113.094 -99.200 -91.000 TRP 187 1.040 93.357 30.908-118.813 -99.200 -91.000 TRP6 187 1.020 91.010 30.802-119.108 -99.200 -91.000 HIS 190 0.900 92.211 29.454-128.444 -99.200 -91.000 TYR 193 0.840 89.749 27.604-123.930 -99.200 -91.000 HIS 199 0.900 68.272 17.008-119.008 -99.200 -91.000