============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 8 1.040 17.237 -30.548 -4.386 -99.200 -91.000 TRP6 8 1.020 16.551 -29.066 -2.665 -99.200 -91.000 TYR 11 0.840 25.517 -36.466 6.477 -99.200 -91.000 TYR 16 0.840 21.988 -30.652 3.934 -99.200 -91.000 PHE 17 1.000 19.830 -26.004 -5.651 -99.200 -91.000 TRP 25 1.040 21.076 -14.837 4.160 -99.200 -91.000 TRP6 25 1.020 18.893 -14.638 5.022 -99.200 -91.000 HIS 35 0.900 13.161 -25.153 -6.470 -99.200 -91.000 PHE 50 1.000 27.115 -32.927 3.624 -99.200 -91.000 TYR 54 0.840 28.920 -30.821 -1.874 -99.200 -91.000 HIS 60 0.900 29.027 -22.702 -1.162 -99.200 -91.000 TRP 61 1.040 24.490 -15.472 0.639 -99.200 -91.000 TRP6 61 1.020 25.460 -13.948 2.178 -99.200 -91.000 HIS 70 0.900 14.315 -7.941 16.380 -99.200 -91.000 TRP 72 1.040 23.150 -14.532 17.041 -99.200 -91.000 TRP6 72 1.020 24.276 -14.411 14.978 -99.200 -91.000 TRP 74 1.040 19.342 -22.094 13.590 -99.200 -91.000 TRP6 74 1.020 21.196 -22.329 12.161 -99.200 -91.000 PHE 80 1.000 23.614 -20.221 16.311 -99.200 -91.000 TRP 83 1.040 24.743 -25.129 17.642 -99.200 -91.000 TRP6 83 1.020 26.064 -26.402 16.143 -99.200 -91.000 PHE 84 1.000 27.030 -22.308 13.977 -99.200 -91.000 PHE 94 1.000 31.252 -15.916 4.773 -99.200 -91.000 TYR 110 0.840 29.221 -20.177 -6.210 -99.200 -91.000 TRP 111 1.040 21.204 -20.602 -2.715 -99.200 -91.000 TRP6 111 1.020 21.474 -19.422 -4.736 -99.200 -91.000 TYR 117 0.840 16.755 -38.114 3.865 -99.200 -91.000