============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 72.787 5.929 19.572 -99.200 -91.000 PHE 29 1.000 82.933 15.365 21.413 -99.200 -91.000 HIS 35 0.900 64.565 8.404 14.646 -99.200 -91.000 HIS 46 0.900 66.472 5.718 17.964 -99.200 -91.000 TRP 48 1.040 75.201 10.457 22.386 -99.200 -91.000 TRP6 48 1.020 76.405 11.778 23.948 -99.200 -91.000 TYR 72 0.840 60.344 5.781 27.307 -99.200 -91.000 HIS 83 0.900 69.358 15.194 29.172 -99.200 -91.000 PHE 97 1.000 80.192 16.093 26.695 -99.200 -91.000 TYR 108 0.840 83.479 9.553 32.012 -99.200 -91.000 PHE 110 1.000 77.818 6.408 22.038 -99.200 -91.000 PHE 111 1.000 73.262 5.455 28.812 -99.200 -91.000 PHE 114 1.000 61.148 3.915 22.660 -99.200 -91.000 HIS 117 0.900 65.000 2.168 20.834 -99.200 -91.000