============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 12 0.900 15.060 6.478 2.371 -99.200 -91.000 PHE 40 1.000 10.649 -9.666 16.142 -99.200 -91.000 TYR 53 0.840 17.848 -11.419 6.343 -99.200 -91.000 PHE 57 1.000 27.164 -5.431 7.326 -99.200 -91.000 TYR 80 0.840 19.657 -14.026 12.924 -99.200 -91.000 PHE 90 1.000 25.264 6.776 18.740 -99.200 -91.000 PHE 107 1.000 30.237 0.619 17.117 -99.200 -91.000 PHE 124 1.000 32.147 -10.573 13.166 -99.200 -91.000 TYR 128 0.840 33.488 -12.025 1.458 -99.200 -91.000