============================================================================= 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. HIS 3 0.900 44.547 -2.758 -6.942 -99.200 -91.000 TYR 4 0.840 43.582 -9.293 -9.123 -99.200 -91.000 TRP 10 1.040 61.676 -16.222 -8.272 -99.200 -91.000 TRP6 10 1.020 59.588 -17.321 -7.992 -99.200 -91.000 TYR 18 0.840 38.937 -8.394 -12.486 -99.200 -91.000 TYR 24 0.840 25.822 -7.612 -7.881 -99.200 -91.000 PHE 35 1.000 29.996 -13.293 -20.060 -99.200 -91.000 PHE 44 1.000 33.536 5.470 -24.838 -99.200 -91.000 TYR 54 0.840 31.794 5.799 -11.044 -99.200 -91.000 PHE 86 1.000 57.810 2.086 0.850 -99.200 -91.000 TYR 111 0.840 50.593 12.949 6.547 -99.200 -91.000 PHE 124 1.000 41.929 15.102 1.722 -99.200 -91.000 HIS 125 0.900 36.673 12.384 -4.628 -99.200 -91.000 TRP 128 1.040 36.472 21.754 -11.763 -99.200 -91.000 TRP6 128 1.020 35.597 20.831 -13.745 -99.200 -91.000 PHE 138 1.000 31.578 8.007 13.765 -99.200 -91.000 TYR 153 0.840 38.626 23.087 0.750 -99.200 -91.000 PHE 178 1.000 57.238 -10.277 -0.098 -99.200 -91.000 TYR 179 0.840 55.652 -5.925 7.837 -99.200 -91.000 PHE 188 1.000 32.293 0.084 -5.537 -99.200 -91.000