============================================================================= 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 3 1.000 72.325 44.983 20.785 -99.200 -91.000 PHE 15 1.000 68.509 39.743 14.921 -99.200 -91.000 TRP 30 1.040 69.425 32.527 16.307 -99.200 -91.000 TRP6 30 1.020 69.619 34.800 17.066 -99.200 -91.000 TYR 38 0.840 66.266 24.153 15.550 -99.200 -91.000 HIS 54 0.900 57.325 30.048 9.039 -99.200 -91.000 TYR 57 0.840 62.088 34.407 9.873 -99.200 -91.000 TYR 58 0.840 61.870 27.273 3.990 -99.200 -91.000 HIS 62 0.900 72.327 34.982 4.501 -99.200 -91.000 TYR 68 0.840 78.484 29.623 16.927 -99.200 -91.000 TYR 83 0.840 63.609 38.010 15.038 -99.200 -91.000 TYR 94 0.840 74.807 22.379 32.527 -99.200 -91.000 TYR 100 0.840 69.682 39.313 20.169 -99.200 -91.000 TYR 105 0.840 63.042 52.396 12.455 -99.200 -91.000