============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 11.976 -5.459 -38.598 -99.200 -91.000 TYR 25 0.840 9.021 5.097 -20.119 -99.200 -91.000 PHE 26 1.000 10.844 0.985 -10.625 -99.200 -91.000 HIS 28 0.900 13.039 9.881 -16.731 -99.200 -91.000 PHE 32 1.000 8.717 12.428 -12.798 -99.200 -91.000 TRP 35 1.040 13.267 15.791 -7.323 -99.200 -91.000 TRP6 35 1.020 13.303 15.481 -9.667 -99.200 -91.000 TYR 45 0.840 5.026 1.255 -9.807 -99.200 -91.000 HIS 46 0.900 0.389 2.441 -11.701 -99.200 -91.000 HIS 54 0.900 3.832 -2.441 -24.079 -99.200 -91.000 TYR 58 0.840 8.182 -6.380 -28.220 -99.200 -91.000 PHE 64 1.000 4.785 -21.024 -29.816 -99.200 -91.000 TYR 107 0.840 10.258 -8.846 -42.630 -99.200 -91.000 HIS 112 0.900 1.554 -14.445 -46.147 -99.200 -91.000 TYR 114 0.840 -1.331 -12.805 -41.522 -99.200 -91.000 HIS 130 0.900 4.775 7.177 -21.882 -99.200 -91.000 TRP 133 1.040 -0.249 11.826 -18.905 -99.200 -91.000 TRP6 133 1.020 1.957 12.101 -18.115 -99.200 -91.000 TYR 149 0.840 4.312 20.537 -14.273 -99.200 -91.000