============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 23.086 -2.742 17.131 -99.200 -91.000 TYR 18 0.840 16.979 -19.981 15.336 -99.200 -91.000 TYR 24 0.840 26.612 -25.784 11.308 -99.200 -91.000 TYR 25 0.840 21.129 -28.472 17.831 -99.200 -91.000 HIS 31 0.900 25.098 -16.271 20.525 -99.200 -91.000 PHE 67 1.000 21.028 -8.014 16.714 -99.200 -91.000 TYR 88 0.840 33.683 -0.911 9.087 -99.200 -91.000 PHE 104 1.000 24.714 -11.262 13.596 -99.200 -91.000 PHE 114 1.000 32.092 -13.660 -0.333 -99.200 -91.000 TRP 126 1.040 29.452 2.038 -5.749 -99.200 -91.000 TRP6 126 1.020 30.660 1.343 -3.847 -99.200 -91.000 TRP 138 1.040 25.989 -14.523 1.573 -99.200 -91.000 TRP6 138 1.020 26.200 -12.453 0.446 -99.200 -91.000 TYR 139 0.840 22.518 -14.606 -5.588 -99.200 -91.000 PHE 153 1.000 28.600 -4.929 0.562 -99.200 -91.000 TRP 158 1.040 19.811 2.244 5.440 -99.200 -91.000 TRP6 158 1.020 20.932 0.335 6.276 -99.200 -91.000 TYR 161 0.840 18.155 -5.051 4.593 -99.200 -91.000