============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 11 1.000 10.418 -4.154 25.691 -99.200 -91.000 TYR 13 0.840 12.767 -6.669 17.211 -99.200 -91.000 TYR 21 0.840 8.635 -3.020 33.092 -99.200 -91.000 PHE 34 1.000 -0.243 -11.280 23.826 -99.200 -91.000 TRP 63 1.040 17.434 -18.861 32.606 -99.200 -91.000 TRP6 63 1.020 18.951 -20.319 33.660 -99.200 -91.000 HIS 65 0.900 15.103 -14.561 31.730 -99.200 -91.000 TRP 66 1.040 5.851 -15.027 32.255 -99.200 -91.000 TRP6 66 1.020 4.938 -12.908 31.712 -99.200 -91.000 TYR 69 0.840 -0.351 -24.138 28.874 -99.200 -91.000 PHE 85 1.000 -7.421 -12.777 35.696 -99.200 -91.000 TYR 98 0.840 9.283 -11.097 34.191 -99.200 -91.000 HIS 108 0.900 22.619 -11.773 28.974 -99.200 -91.000 TYR 110 0.840 16.913 -10.433 28.753 -99.200 -91.000 TYR 111 0.840 15.563 -12.297 20.129 -99.200 -91.000 PHE 112 1.000 9.669 -9.874 26.163 -99.200 -91.000 TYR 113 0.840 10.835 -15.976 20.007 -99.200 -91.000 TYR 115 0.840 5.200 -19.458 19.621 -99.200 -91.000 HIS 139 0.900 -3.335 -28.438 17.507 -99.200 -91.000 TYR 150 0.840 18.235 -4.165 32.609 -99.200 -91.000