============================================================================= 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 10.223 16.269 5.474 -99.200 -91.000 TRP6 9 1.020 9.374 15.712 3.348 -99.200 -91.000 TYR 10 0.840 5.603 12.551 11.116 -99.200 -91.000 PHE 17 1.000 14.359 14.806 7.961 -99.200 -91.000 TYR 31 0.840 16.196 10.828 12.194 -99.200 -91.000 TYR 42 0.840 20.065 11.382 19.236 -99.200 -91.000 TYR 48 0.840 18.206 22.832 -0.746 -99.200 -91.000 TRP 63 1.040 19.388 13.654 7.261 -99.200 -91.000 TRP6 63 1.020 17.833 13.203 5.544 -99.200 -91.000 TRP 67 1.040 22.793 7.797 15.283 -99.200 -91.000 TRP6 67 1.020 20.572 8.543 15.128 -99.200 -91.000 TYR 71 0.840 18.654 14.353 27.571 -99.200 -91.000 HIS 75 0.900 30.680 6.277 22.294 -99.200 -91.000 TRP 80 1.040 18.638 8.655 6.716 -99.200 -91.000 TRP6 80 1.020 19.452 9.378 8.813 -99.200 -91.000 TYR 84 0.840 11.091 17.702 -2.242 -99.200 -91.000 TRP 96 1.040 19.191 3.850 6.357 -99.200 -91.000 TRP6 96 1.020 20.217 2.151 7.653 -99.200 -91.000 TRP 108 1.040 35.182 -7.969 10.377 -99.200 -91.000 TRP6 108 1.020 33.193 -9.133 9.900 -99.200 -91.000 HIS 115 0.900 15.140 -0.225 1.751 -99.200 -91.000 PHE 118 1.000 13.142 9.791 6.321 -99.200 -91.000