============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 11 1.040 27.035 41.646 32.226 -99.200 -91.000 TRP6 11 1.020 25.082 42.837 31.583 -99.200 -91.000 HIS 21 0.900 23.528 42.864 23.439 -99.200 -91.000 PHE 26 1.000 16.195 52.131 29.272 -99.200 -91.000 PHE 30 1.000 10.782 54.773 26.746 -99.200 -91.000 PHE 40 1.000 14.272 58.150 30.519 -99.200 -91.000 TYR 42 0.840 17.805 63.205 29.238 -99.200 -91.000 PHE 47 1.000 13.499 61.993 24.758 -99.200 -91.000 PHE 59 1.000 16.161 56.933 26.315 -99.200 -91.000 HIS 62 0.900 18.767 56.237 32.381 -99.200 -91.000 TYR 86 0.840 25.533 53.194 42.676 -99.200 -91.000 HIS 94 0.900 16.574 55.986 38.643 -99.200 -91.000 PHE 104 1.000 13.305 51.313 38.982 -99.200 -91.000 TYR 113 0.840 11.937 41.560 24.017 -99.200 -91.000 PHE 123 1.000 16.423 34.004 29.199 -99.200 -91.000 TRP 131 1.040 20.658 36.857 33.778 -99.200 -91.000 TRP6 131 1.020 21.783 38.943 34.047 -99.200 -91.000 TYR 135 0.840 15.158 44.259 37.673 -99.200 -91.000 TRP 146 1.040 10.336 54.801 45.052 -99.200 -91.000 TRP6 146 1.020 12.125 53.742 43.913 -99.200 -91.000