============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 15 1.040 24.935 0.556 13.915 -99.200 -91.000 TRP6 15 1.020 26.976 1.032 15.010 -99.200 -91.000 PHE 21 1.000 17.730 14.377 14.371 -99.200 -91.000 TYR 22 0.840 20.692 17.695 6.161 -99.200 -91.000 TRP 29 1.040 23.067 17.483 16.040 -99.200 -91.000 TRP6 29 1.020 23.144 19.476 14.758 -99.200 -91.000 PHE 32 1.000 25.377 7.167 15.847 -99.200 -91.000 PHE 41 1.000 29.728 -7.445 27.022 -99.200 -91.000 TRP 42 1.040 25.597 -9.718 24.249 -99.200 -91.000 TRP6 42 1.020 26.412 -11.176 25.910 -99.200 -91.000 HIS 44 0.900 34.946 -5.797 20.062 -99.200 -91.000 TYR 72 0.840 38.599 -4.771 10.590 -99.200 -91.000 PHE 74 1.000 36.720 -0.773 5.192 -99.200 -91.000 TYR 100 0.840 25.848 -5.265 5.198 -99.200 -91.000 PHE 125 1.000 7.927 -5.565 -1.868 -99.200 -91.000 TYR 126 0.840 12.405 -2.247 -2.951 -99.200 -91.000 PHE 134 1.000 10.376 -11.392 12.929 -99.200 -91.000 PHE 144 1.000 25.700 -4.019 15.428 -99.200 -91.000 PHE 147 1.000 22.781 -9.279 11.667 -99.200 -91.000 PHE 159 1.000 21.415 -11.272 32.248 -99.200 -91.000