============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 34.768 57.920 10.586 -99.200 -91.000 PHE 16 1.000 25.955 65.065 23.242 -99.200 -91.000 HIS 17 0.900 29.823 61.923 19.450 -99.200 -91.000 TYR 38 0.840 12.336 59.235 21.020 -99.200 -91.000 TYR 50 0.840 21.464 63.758 29.058 -99.200 -91.000 HIS 53 0.900 19.146 59.170 38.006 -99.200 -91.000 HIS 54 0.900 19.831 59.346 29.909 -99.200 -91.000 TYR 59 0.840 27.889 52.422 29.704 -99.200 -91.000 HIS 70 0.900 29.954 61.805 13.129 -99.200 -91.000 HIS 86 0.900 34.816 47.816 19.381 -99.200 -91.000 TYR 91 0.840 28.287 50.776 34.486 -99.200 -91.000 TRP 112 1.040 25.344 74.189 12.674 -99.200 -91.000 TRP6 112 1.020 23.531 73.351 11.414 -99.200 -91.000 HIS 116 0.900 15.211 62.490 18.599 -99.200 -91.000 HIS 118 0.900 16.207 56.222 18.601 -99.200 -91.000 TRP 119 1.040 23.063 58.432 22.492 -99.200 -91.000 TRP6 119 1.020 23.018 59.740 24.476 -99.200 -91.000