============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 9 1.000 12.489 -0.829 -3.809 -99.200 -91.000 HIS 28 0.900 19.763 -3.461 19.011 -99.200 -91.000 TYR 30 0.840 12.765 1.785 20.923 -99.200 -91.000 TRP 33 1.040 7.696 -1.953 12.091 -99.200 -91.000 TRP6 33 1.020 8.653 -2.188 9.943 -99.200 -91.000 TYR 34 0.840 10.805 6.243 13.795 -99.200 -91.000 HIS 46 0.900 1.228 0.466 16.342 -99.200 -91.000 TYR 47 0.840 7.052 3.074 22.154 -99.200 -91.000 TYR 63 0.840 0.300 1.947 9.459 -99.200 -91.000 PHE 73 1.000 7.621 -3.736 16.844 -99.200 -91.000 TYR 88 0.840 4.859 2.086 5.757 -99.200 -91.000 PHE 89 1.000 13.636 4.439 6.342 -99.200 -91.000 TYR 94 0.840 22.290 -3.743 22.918 -99.200 -91.000 PHE 102 1.000 22.972 -0.396 16.050 -99.200 -91.000 PHE 103 1.000 16.263 5.043 11.891 -99.200 -91.000 PHE 119 1.000 1.832 1.585 -17.991 -99.200 -91.000 PHE 126 1.000 19.345 8.157 -25.455 -99.200 -91.000 HIS 135 0.900 34.667 21.015 -28.836 -99.200 -91.000 PHE 148 1.000 10.900 4.706 -13.414 -99.200 -91.000 TYR 149 0.840 2.367 4.799 -10.484 -99.200 -91.000 HIS 152 0.900 8.069 1.504 -5.175 -99.200 -91.000 TRP 157 1.040 25.844 4.074 -15.209 -99.200 -91.000 TRP6 157 1.020 25.630 4.131 -17.557 -99.200 -91.000 TRP 158 1.040 26.000 -3.853 -13.428 -99.200 -91.000 TRP6 158 1.020 26.861 -5.414 -11.877 -99.200 -91.000 HIS 165 0.900 29.335 1.773 -6.906 -99.200 -91.000 TYR 186 0.840 7.181 8.642 -10.615 -99.200 -91.000 PHE 198 1.000 37.381 1.747 -19.874 -99.200 -91.000 TRP 199 1.040 33.212 6.101 -26.862 -99.200 -91.000 TRP6 199 1.020 31.323 4.686 -26.641 -99.200 -91.000 HIS 205 0.900 28.646 -5.389 -22.120 -99.200 -91.000 PHE 206 1.000 31.815 1.731 -21.640 -99.200 -91.000 PHE 212 1.000 8.722 -1.728 -12.383 -99.200 -91.000 TYR 213 0.840 13.173 -3.903 -6.337 -99.200 -91.000 TRP 221 1.040 -0.825 -8.219 -16.786 -99.200 -91.000 TRP6 221 1.020 -0.998 -5.979 -15.999 -99.200 -91.000 TRP 238 1.040 29.114 -4.375 -26.656 -99.200 -91.000 TRP6 238 1.020 30.589 -6.025 -25.830 -99.200 -91.000