============================================================================= 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 6 1.000 -4.121 -16.232 114.160 -99.200 -91.000 HIS 8 0.900 -9.410 -8.874 119.624 -99.200 -91.000 TYR 22 0.840 1.751 -19.480 124.486 -99.200 -91.000 PHE 31 1.000 8.464 -26.593 121.659 -99.200 -91.000 TYR 47 0.840 2.676 6.258 125.301 -99.200 -91.000 TYR 51 0.840 7.601 4.241 128.142 -99.200 -91.000 PHE 52 1.000 7.508 -0.758 127.967 -99.200 -91.000 HIS 75 0.900 -8.779 -15.007 118.379 -99.200 -91.000 HIS 96 0.900 -9.144 -11.553 128.909 -99.200 -91.000 HIS 97 0.900 -12.236 -12.181 125.141 -99.200 -91.000 PHE 102 1.000 -11.911 -23.361 119.690 -99.200 -91.000 TYR 109 0.840 -2.116 -25.741 127.643 -99.200 -91.000 TYR 110 0.840 -10.455 -22.874 124.881 -99.200 -91.000 TYR 126 0.840 7.203 -15.318 129.422 -99.200 -91.000 PHE 152 1.000 -3.529 -1.671 137.566 -99.200 -91.000 TYR 179 0.840 3.577 2.435 129.612 -99.200 -91.000 PHE 206 1.000 -19.307 -10.529 120.900 -99.200 -91.000 PHE 249 1.000 -21.795 -1.360 114.845 -99.200 -91.000 PHE 277 1.000 -26.533 -2.693 128.856 -99.200 -91.000