============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 13 0.900 11.779 7.529 14.247 -99.200 -91.000 TRP 14 1.040 12.114 7.841 19.161 -99.200 -91.000 TRP6 14 1.020 10.746 9.303 17.907 -99.200 -91.000 PHE 22 1.000 16.852 15.827 8.122 -99.200 -91.000 HIS 26 0.900 12.042 10.473 7.765 -99.200 -91.000 TYR 29 0.840 8.314 6.838 9.549 -99.200 -91.000 TYR 37 0.840 2.355 16.755 11.357 -99.200 -91.000 HIS 55 0.900 11.113 23.240 2.874 -99.200 -91.000 HIS 56 0.900 10.025 25.097 9.308 -99.200 -91.000 PHE 63 1.000 14.724 13.362 19.843 -99.200 -91.000 TRP 75 1.040 5.739 -0.609 19.685 -99.200 -91.000 TRP6 75 1.020 7.311 -1.075 21.357 -99.200 -91.000 TYR 79 0.840 9.505 12.992 20.026 -99.200 -91.000 TYR 83 0.840 13.222 22.628 15.788 -99.200 -91.000 TYR 89 0.840 7.205 19.093 28.311 -99.200 -91.000 PHE 95 1.000 6.772 0.020 14.882 -99.200 -91.000 HIS 102 0.900 -2.514 6.427 11.286 -99.200 -91.000 TYR 106 0.840 -2.302 14.336 19.381 -99.200 -91.000 PHE 107 1.000 4.616 17.897 16.461 -99.200 -91.000 PHE 111 1.000 -0.056 22.283 32.075 -99.200 -91.000 TRP 116 1.040 -5.925 24.761 40.965 -99.200 -91.000 TRP6 116 1.020 -7.119 22.794 41.509 -99.200 -91.000 TRP 120 1.040 -4.659 18.375 47.967 -99.200 -91.000 TRP6 120 1.020 -5.555 20.561 47.923 -99.200 -91.000