============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.860 0.790 1.400 -99.200 -91.000 TRP6 9 1.020 22.600 -0.856 3.019 -99.200 -91.000 TYR 10 0.840 25.698 -3.335 -4.775 -99.200 -91.000 PHE 17 1.000 19.920 3.087 -1.431 -99.200 -91.000 TYR 31 0.840 17.106 3.238 -7.071 -99.200 -91.000 TYR 42 0.840 16.634 8.137 -13.393 -99.200 -91.000 TYR 48 0.840 19.946 9.492 9.105 -99.200 -91.000 TRP 63 1.040 15.315 6.028 -1.532 -99.200 -91.000 TRP6 63 1.020 15.681 4.306 -0.005 -99.200 -91.000 TRP 67 1.040 11.233 6.830 -11.038 -99.200 -91.000 TRP6 67 1.020 13.220 5.693 -10.523 -99.200 -91.000 TYR 71 0.840 22.114 10.872 -20.407 -99.200 -91.000 HIS 75 0.900 6.502 12.327 -18.810 -99.200 -91.000 TRP 80 1.040 12.445 2.331 -2.921 -99.200 -91.000 TRP6 80 1.020 12.850 3.882 -4.614 -99.200 -91.000 TYR 84 0.840 21.428 0.544 8.733 -99.200 -91.000 TRP 96 1.040 8.876 -0.611 -4.426 -99.200 -91.000 TRP6 96 1.020 7.407 -0.480 -6.271 -99.200 -91.000 TRP 108 1.040 -9.115 4.212 -12.203 -99.200 -91.000 TRP6 108 1.020 -8.827 1.888 -11.923 -99.200 -91.000 HIS 115 0.900 7.805 -7.142 -1.758 -99.200 -91.000 PHE 118 1.000 17.071 -0.845 -2.108 -99.200 -91.000