============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 31.462 23.632 24.844 -99.200 -91.000 PHE 18 1.000 30.095 18.696 18.176 -99.200 -91.000 TYR 36 0.840 39.027 14.263 37.483 -99.200 -91.000 HIS 40 0.900 23.356 19.131 28.203 -99.200 -91.000 PHE 49 1.000 25.007 35.903 18.079 -99.200 -91.000 HIS 62 0.900 29.399 26.300 33.980 -99.200 -91.000 TYR 75 0.840 40.118 27.158 27.898 -99.200 -91.000 TYR 95 0.840 27.002 36.581 22.131 -99.200 -91.000 TYR 98 0.840 35.334 30.862 27.733 -99.200 -91.000 TYR 99 0.840 29.353 30.890 33.667 -99.200 -91.000 TRP 108 1.040 32.530 13.637 40.848 -99.200 -91.000 TRP6 108 1.020 34.357 12.681 42.018 -99.200 -91.000 PHE 113 1.000 35.432 17.802 41.744 -99.200 -91.000