============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 15 0.900 33.824 4.448 26.761 -99.200 -91.000 PHE 18 1.000 40.989 4.936 29.422 -99.200 -91.000 HIS 25 0.900 39.794 -1.284 39.684 -99.200 -91.000 HIS 40 0.900 26.241 11.300 40.511 -99.200 -91.000 PHE 53 1.000 19.378 9.108 28.961 -99.200 -91.000 PHE 54 1.000 21.670 4.800 29.291 -99.200 -91.000 HIS 55 0.900 16.420 5.896 21.942 -99.200 -91.000 PHE 73 1.000 30.131 -0.769 42.198 -99.200 -91.000 TYR 86 0.840 12.027 -3.953 40.482 -99.200 -91.000 TRP 108 1.040 38.001 6.656 25.051 -99.200 -91.000 TRP6 108 1.020 36.199 7.596 23.847 -99.200 -91.000 PHE 113 1.000 37.537 14.639 20.857 -99.200 -91.000 PHE 116 1.000 39.977 15.610 16.068 -99.200 -91.000 PHE 124 1.000 33.855 13.460 16.120 -99.200 -91.000