============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 28 1.000 21.472 -37.124 18.247 -99.200 -91.000 HIS 31 0.900 14.474 -37.829 21.191 -99.200 -91.000 PHE 39 1.000 31.429 -55.992 33.750 -99.200 -91.000 HIS 76 0.900 9.189 -48.638 32.172 -99.200 -91.000 PHE 78 1.000 19.545 -47.239 37.324 -99.200 -91.000 PHE 85 1.000 21.025 -34.910 35.791 -99.200 -91.000 TRP 122 1.040 22.134 -30.577 30.031 -99.200 -91.000 TRP6 122 1.020 23.086 -32.773 30.083 -99.200 -91.000