============================================================================= 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. PHE 13 1.000 23.412 2.567 36.063 -99.200 -91.000 PHE 17 1.000 22.120 2.814 30.149 -99.200 -91.000 HIS 19 0.900 18.545 13.556 31.851 -99.200 -91.000 PHE 21 1.000 22.093 6.835 25.867 -99.200 -91.000 TYR 39 0.840 11.022 -0.811 41.108 -99.200 -91.000 TYR 50 0.840 19.405 6.660 47.036 -99.200 -91.000 TYR 68 0.840 38.592 12.588 45.053 -99.200 -91.000 TRP 72 1.040 39.861 7.099 31.540 -99.200 -91.000 TRP6 72 1.020 38.739 6.563 29.528 -99.200 -91.000 TYR 90 0.840 21.629 11.296 46.984 -99.200 -91.000 PHE 94 1.000 24.083 15.377 49.647 -99.200 -91.000 TYR 114 0.840 23.692 -2.143 33.862 -99.200 -91.000 PHE 122 1.000 37.717 5.043 36.467 -99.200 -91.000 HIS 134 0.900 35.428 15.091 50.017 -99.200 -91.000 PHE 140 1.000 34.539 10.137 60.543 -99.200 -91.000