============================================================================= 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. PHE 24 1.000 12.454 15.738 27.177 -99.200 -91.000 PHE 31 1.000 24.397 11.884 16.340 -99.200 -91.000 TRP 33 1.040 16.299 13.596 19.549 -99.200 -91.000 TRP6 33 1.020 15.393 15.740 19.927 -99.200 -91.000 HIS 38 0.900 -0.667 12.737 25.631 -99.200 -91.000 TYR 45 0.840 -6.333 8.063 15.893 -99.200 -91.000 TYR 50 0.840 -1.446 6.037 19.144 -99.200 -91.000 PHE 56 1.000 16.681 13.682 14.615 -99.200 -91.000 TYR 60 0.840 17.889 16.777 11.217 -99.200 -91.000 TYR 62 0.840 20.715 18.104 0.958 -99.200 -91.000 PHE 69 1.000 2.391 6.704 15.076 -99.200 -91.000 TYR 74 0.840 -7.570 0.153 12.791 -99.200 -91.000 HIS 75 0.900 -3.718 7.682 10.547 -99.200 -91.000 TRP 93 1.040 13.977 16.929 5.481 -99.200 -91.000 TRP6 93 1.020 13.072 17.187 7.645 -99.200 -91.000 TYR 97 0.840 9.025 21.281 6.654 -99.200 -91.000 HIS 122 0.900 -10.397 -3.366 9.304 -99.200 -91.000 TRP 127 1.040 -11.351 8.929 8.660 -99.200 -91.000 TRP6 127 1.020 -10.122 9.186 10.655 -99.200 -91.000 PHE 133 1.000 -10.390 4.539 12.762 -99.200 -91.000 TYR 136 0.840 -10.557 -2.889 14.760 -99.200 -91.000 TYR 141 0.840 -4.029 3.066 23.391 -99.200 -91.000