============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 2 1.040 -3.037 -12.017 4.123 -99.200 -91.000 TRP6 2 1.020 -2.805 -12.172 1.772 -99.200 -91.000 TYR 20 0.840 -10.452 0.564 4.219 -99.200 -91.000 TRP 33 1.040 6.345 -13.054 -14.235 -99.200 -91.000 TRP6 33 1.020 6.017 -11.296 -15.791 -99.200 -91.000 TYR 36 0.840 -6.091 -14.178 -20.613 -99.200 -91.000 TRP 42 1.040 -0.426 -10.938 -20.515 -99.200 -91.000 TRP6 42 1.020 -1.290 -13.058 -21.186 -99.200 -91.000 HIS 50 0.900 -8.482 -11.951 -23.811 -99.200 -91.000 HIS 58 0.900 -17.513 -5.436 -16.768 -99.200 -91.000 PHE 61 1.000 -5.923 -3.181 -19.952 -99.200 -91.000 PHE 82 1.000 3.105 5.248 -1.242 -99.200 -91.000 TRP 84 1.040 -7.109 3.189 -2.705 -99.200 -91.000 TRP6 84 1.020 -8.732 1.797 -1.688 -99.200 -91.000 TYR 98 0.840 -5.568 -14.072 -13.208 -99.200 -91.000 TYR 105 0.840 -11.850 -16.620 -12.040 -99.200 -91.000 PHE 112 1.000 -1.032 -11.488 -10.668 -99.200 -91.000