============================================================================= 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 4 1.040 8.127 25.083 19.202 -99.200 -91.000 TRP6 4 1.020 9.154 22.950 19.234 -99.200 -91.000 PHE 6 1.000 -0.009 23.004 12.274 -99.200 -91.000 HIS 18 0.900 0.862 21.667 -4.669 -99.200 -91.000 TRP 22 1.040 12.092 21.621 5.283 -99.200 -91.000 TRP6 22 1.020 12.497 22.657 7.371 -99.200 -91.000 PHE 30 1.000 9.156 27.820 8.754 -99.200 -91.000 TRP 42 1.040 -1.625 27.596 15.203 -99.200 -91.000 TRP6 42 1.020 -0.889 25.890 16.685 -99.200 -91.000 TYR 53 0.840 1.120 35.096 7.558 -99.200 -91.000 TYR 62 0.840 5.248 33.712 22.655 -99.200 -91.000 TYR 63 0.840 7.023 30.191 18.547 -99.200 -91.000 TYR 64 0.840 9.877 37.484 14.862 -99.200 -91.000 PHE 77 1.000 3.115 35.496 2.521 -99.200 -91.000 TYR 79 0.840 7.567 33.801 9.458 -99.200 -91.000 PHE 81 1.000 10.942 25.432 12.386 -99.200 -91.000 TYR 84 0.840 20.024 19.858 12.350 -99.200 -91.000