============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 4 1.000 19.059 19.368 -11.998 -99.200 -91.000 TYR 5 0.840 13.194 27.284 -17.085 -99.200 -91.000 HIS 12 0.900 9.608 22.111 -24.489 -99.200 -91.000 TYR 25 0.840 25.980 18.544 -24.520 -99.200 -91.000 TRP 26 1.040 21.141 20.674 -24.819 -99.200 -91.000 TRP6 26 1.020 22.681 22.016 -23.611 -99.200 -91.000 TYR 27 0.840 18.189 11.294 -20.447 -99.200 -91.000 TYR 39 0.840 13.812 18.315 -13.695 -99.200 -91.000 TRP 67 1.040 7.560 6.834 -14.464 -99.200 -91.000 TRP6 67 1.020 6.861 9.083 -14.303 -99.200 -91.000 PHE 70 1.000 13.552 5.520 -12.401 -99.200 -91.000 TYR 76 0.840 22.984 3.153 -12.841 -99.200 -91.000 TYR 88 0.840 7.912 7.142 -30.799 -99.200 -91.000 TYR 99 0.840 0.387 23.546 -24.810 -99.200 -91.000 PHE 102 1.000 -7.496 21.795 -21.744 -99.200 -91.000 TYR 115 0.840 -23.348 31.769 -24.051 -99.200 -91.000 HIS 120 0.900 -29.772 20.544 -29.662 -99.200 -91.000 TYR 133 0.840 -22.819 17.574 -31.959 -99.200 -91.000 PHE 134 1.000 -18.355 25.198 -29.891 -99.200 -91.000 TYR 143 0.840 -12.665 26.269 -28.647 -99.200 -91.000 TYR 144 0.840 -7.389 18.950 -33.609 -99.200 -91.000 PHE 145 1.000 -8.205 26.453 -36.362 -99.200 -91.000