============================================================================= 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. HIS 11 0.900 33.249 -4.514 8.384 -99.200 -91.000 TYR 17 0.840 18.539 -3.826 1.743 -99.200 -91.000 TRP 19 1.040 17.911 -5.692 11.665 -99.200 -91.000 TRP6 19 1.020 19.320 -4.774 13.343 -99.200 -91.000 HIS 24 0.900 9.572 -5.048 13.198 -99.200 -91.000 TRP 28 1.040 5.259 2.694 14.100 -99.200 -91.000 TRP6 28 1.020 3.534 4.321 14.115 -99.200 -91.000 TRP 29 1.040 14.101 4.539 10.653 -99.200 -91.000 TRP6 29 1.020 14.859 4.838 12.870 -99.200 -91.000 TYR 45 0.840 20.222 4.880 8.036 -99.200 -91.000 TYR 58 0.840 25.137 5.155 19.955 -99.200 -91.000 TYR 69 0.840 20.375 2.956 13.502 -99.200 -91.000 TYR 73 0.840 18.818 14.091 17.131 -99.200 -91.000 TRP 82 1.040 15.687 17.549 10.685 -99.200 -91.000 TRP6 82 1.020 14.007 16.280 11.776 -99.200 -91.000 TRP 83 1.040 16.031 18.693 16.384 -99.200 -91.000 TRP6 83 1.020 13.795 18.431 17.143 -99.200 -91.000 PHE 121 1.000 21.170 12.714 30.958 -99.200 -91.000 TYR 144 0.840 11.417 7.602 22.761 -99.200 -91.000 PHE 149 1.000 13.828 10.451 26.751 -99.200 -91.000 TYR 164 0.840 11.646 18.913 22.373 -99.200 -91.000 PHE 172 1.000 20.831 9.141 34.322 -99.200 -91.000