============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 37 0.840 10.429 -18.745 64.251 -99.200 -91.000 TYR 42 0.840 11.132 -5.803 44.035 -99.200 -91.000 TYR 44 0.840 7.123 -0.575 40.204 -99.200 -91.000 PHE 50 1.000 18.165 9.123 49.181 -99.200 -91.000 TYR 57 0.840 15.534 5.344 48.289 -99.200 -91.000 PHE 59 1.000 12.776 2.681 54.370 -99.200 -91.000 HIS 87 0.900 19.803 -11.117 43.050 -99.200 -91.000 TYR 96 0.840 18.264 7.003 53.421 -99.200 -91.000 PHE 99 1.000 19.708 -2.756 59.986 -99.200 -91.000 PHE 107 1.000 5.979 -9.944 64.877 -99.200 -91.000 PHE 109 1.000 3.633 -18.800 63.769 -99.200 -91.000 PHE 114 1.000 6.654 -15.524 67.485 -99.200 -91.000