============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 7 0.840 -0.248 -5.469 17.703 -99.200 -91.000 TRP 21 1.040 3.471 -2.189 2.261 -99.200 -91.000 TRP6 21 1.020 5.099 -3.412 3.429 -99.200 -91.000 TYR 27 0.840 8.767 -15.608 20.371 -99.200 -91.000 TYR 37 0.840 5.718 5.257 -2.697 -99.200 -91.000 TYR 67 0.840 -4.466 -8.339 18.154 -99.200 -91.000 TYR 72 0.840 -11.064 -5.143 1.169 -99.200 -91.000 TRP 81 1.040 -18.268 -11.910 3.997 -99.200 -91.000 TRP6 81 1.020 -18.006 -9.639 4.552 -99.200 -91.000 TRP 85 1.040 -15.465 -12.971 -1.905 -99.200 -91.000 TRP6 85 1.020 -14.018 -11.570 -0.683 -99.200 -91.000 TRP 90 1.040 -10.683 -16.197 -6.754 -99.200 -91.000 TRP6 90 1.020 -10.031 -15.370 -4.654 -99.200 -91.000 TRP 103 1.040 -9.223 -10.482 -1.282 -99.200 -91.000 TRP6 103 1.020 -9.306 -10.246 1.072 -99.200 -91.000 HIS 113 0.900 3.285 -18.183 8.739 -99.200 -91.000 PHE 117 1.000 -6.340 -12.663 9.219 -99.200 -91.000 HIS 118 0.900 -7.529 -11.685 17.191 -99.200 -91.000 TYR 127 0.840 1.775 -3.113 21.511 -99.200 -91.000