============================================================================= 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 21 0.900 -5.029 -21.310 -5.421 -99.200 -91.000 PHE 23 1.000 0.273 -23.013 -7.969 -99.200 -91.000 TRP 31 1.040 4.863 -23.958 -12.384 -99.200 -91.000 TRP6 31 1.020 6.321 -22.352 -11.489 -99.200 -91.000 PHE 34 1.000 6.112 -21.288 -0.320 -99.200 -91.000 HIS 46 0.900 -0.633 -8.108 5.384 -99.200 -91.000 PHE 54 1.000 9.379 -16.218 -0.102 -99.200 -91.000 TYR 59 0.840 9.114 -19.270 -3.818 -99.200 -91.000 TYR 68 0.840 -12.297 -8.435 -7.861 -99.200 -91.000 TRP 69 1.040 -12.117 -8.659 -13.221 -99.200 -91.000 TRP6 69 1.020 -12.731 -6.481 -12.595 -99.200 -91.000 PHE 77 1.000 -8.363 -11.254 -23.419 -99.200 -91.000 HIS 78 0.900 -5.952 -10.458 -19.064 -99.200 -91.000 HIS 80 0.900 -4.081 -18.145 -14.350 -99.200 -91.000 PHE 85 1.000 8.332 -13.683 -6.913 -99.200 -91.000 TYR 95 0.840 11.143 -11.368 -2.764 -99.200 -91.000 TYR 104 0.840 -12.172 -7.389 -22.430 -99.200 -91.000 TYR 106 0.840 -2.409 -9.377 -15.616 -99.200 -91.000