============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 7 0.900 25.241 -46.503 3.621 -99.200 -91.000 TYR 14 0.840 29.758 -59.989 -1.257 -99.200 -91.000 TRP 15 1.040 23.577 -54.871 1.886 -99.200 -91.000 TRP6 15 1.020 21.236 -54.685 1.625 -99.200 -91.000 TRP 23 1.040 17.140 -52.563 2.281 -99.200 -91.000 TRP6 23 1.020 15.809 -54.385 2.992 -99.200 -91.000 TRP 26 1.040 16.998 -45.390 1.064 -99.200 -91.000 TRP6 26 1.020 16.162 -47.165 -0.253 -99.200 -91.000 PHE 31 1.000 10.515 -47.952 -1.304 -99.200 -91.000 PHE 41 1.000 13.431 -57.849 8.565 -99.200 -91.000 PHE 56 1.000 12.163 -59.838 4.101 -99.200 -91.000 TYR 58 0.840 5.823 -64.425 13.342 -99.200 -91.000 HIS 62 0.900 1.388 -52.259 10.555 -99.200 -91.000 TYR 68 0.840 10.573 -62.007 -0.708 -99.200 -91.000 HIS 73 0.900 11.564 -54.595 -8.036 -99.200 -91.000