============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 7 0.840 5.805 14.300 79.488 -99.200 -91.000 HIS 48 0.900 15.400 -0.566 89.817 -99.200 -91.000 TYR 59 0.840 17.508 15.813 103.589 -99.200 -91.000 HIS 68 0.900 20.254 -0.089 89.251 -99.200 -91.000 HIS 74 0.900 20.349 -2.453 85.257 -99.200 -91.000 TYR 75 0.840 24.358 4.631 83.000 -99.200 -91.000 TRP 78 1.040 17.941 11.839 86.453 -99.200 -91.000 TRP6 78 1.020 17.492 11.237 84.209 -99.200 -91.000 TYR 88 0.840 20.078 22.177 94.862 -99.200 -91.000 PHE 91 1.000 22.270 15.003 84.414 -99.200 -91.000 PHE 102 1.000 21.221 15.512 95.554 -99.200 -91.000 TYR 114 0.840 14.966 7.248 83.244 -99.200 -91.000 HIS 118 0.900 15.216 -2.555 85.759 -99.200 -91.000 HIS 120 0.900 11.142 10.130 87.286 -99.200 -91.000 TRP 121 1.040 12.027 2.959 89.841 -99.200 -91.000 TRP6 121 1.020 10.563 1.452 90.928 -99.200 -91.000