============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 5 1.040 -3.486 34.533 35.156 -99.200 -91.000 TRP6 5 1.020 -5.133 35.277 33.652 -99.200 -91.000 PHE 6 1.000 -6.165 41.860 32.314 -99.200 -91.000 PHE 7 1.000 1.629 41.773 35.401 -99.200 -91.000 HIS 24 0.900 12.230 29.184 37.679 -99.200 -91.000 PHE 28 1.000 0.980 33.086 32.658 -99.200 -91.000 PHE 40 1.000 -8.082 40.489 26.531 -99.200 -91.000 PHE 46 1.000 8.527 30.012 23.852 -99.200 -91.000 HIS 52 0.900 6.002 39.817 23.077 -99.200 -91.000 PHE 53 1.000 2.691 31.652 22.174 -99.200 -91.000 TYR 63 0.840 -11.241 35.108 25.441 -99.200 -91.000 PHE 64 1.000 -8.534 30.285 17.911 -99.200 -91.000 TRP 66 1.040 -0.396 26.831 19.744 -99.200 -91.000 TRP6 66 1.020 0.975 27.695 18.000 -99.200 -91.000 PHE 70 1.000 -8.431 26.641 26.189 -99.200 -91.000 TYR 79 0.840 -5.283 22.859 27.046 -99.200 -91.000 HIS 80 0.900 -2.424 26.798 26.250 -99.200 -91.000 PHE 92 1.000 4.498 21.718 30.336 -99.200 -91.000