============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 26 0.900 59.057 -4.292 36.944 -99.200 -91.000 PHE 34 1.000 64.338 -8.256 26.488 -99.200 -91.000 PHE 38 1.000 54.355 -10.115 18.593 -99.200 -91.000 TYR 42 0.840 43.456 -14.068 19.609 -99.200 -91.000 TYR 50 0.840 53.149 -19.592 23.933 -99.200 -91.000 PHE 51 1.000 59.427 -13.235 25.258 -99.200 -91.000 PHE 58 1.000 61.194 -12.948 31.535 -99.200 -91.000 PHE 68 1.000 55.525 -8.414 23.031 -99.200 -91.000 PHE 73 1.000 53.909 8.145 16.478 -99.200 -91.000 TRP 77 1.040 49.106 0.838 14.431 -99.200 -91.000 TRP6 77 1.020 49.799 -1.153 15.501 -99.200 -91.000 TYR 86 0.840 54.148 -16.644 34.758 -99.200 -91.000 HIS 96 0.900 49.763 -24.307 21.388 -99.200 -91.000 TRP 105 1.040 65.944 -17.331 17.125 -99.200 -91.000 TRP6 105 1.020 66.064 -17.282 19.483 -99.200 -91.000 TYR 111 0.840 64.351 -22.680 20.776 -99.200 -91.000 PHE 113 1.000 59.005 -22.105 21.814 -99.200 -91.000 PHE 126 1.000 49.702 7.292 20.283 -99.200 -91.000