============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.430 39.721 42.538 -99.200 -91.000 TRP6 12 1.020 -4.420 39.794 44.706 -99.200 -91.000 TYR 20 0.840 1.032 21.068 28.678 -99.200 -91.000 TRP 26 1.040 8.767 25.802 27.716 -99.200 -91.000 TRP6 26 1.020 8.997 24.090 29.345 -99.200 -91.000 HIS 28 0.900 -1.505 28.990 32.902 -99.200 -91.000 TRP 39 1.040 10.550 23.713 48.844 -99.200 -91.000 TRP6 39 1.020 9.913 21.520 48.271 -99.200 -91.000 HIS 45 0.900 -6.720 19.730 39.494 -99.200 -91.000 PHE 53 1.000 3.854 19.267 35.028 -99.200 -91.000 HIS 60 0.900 0.000 41.578 34.067 -99.200 -91.000 TYR 71 0.840 10.593 32.473 31.165 -99.200 -91.000 HIS 80 0.900 -2.026 14.749 51.750 -99.200 -91.000 TYR 82 0.840 -4.431 9.486 53.848 -99.200 -91.000 TRP 83 1.040 -4.236 13.598 43.650 -99.200 -91.000 TRP6 83 1.020 -6.276 14.785 43.481 -99.200 -91.000 TYR 91 0.840 -6.809 13.763 51.963 -99.200 -91.000 TYR 107 0.840 7.653 43.742 38.491 -99.200 -91.000 TYR 127 0.840 -10.034 41.094 44.798 -99.200 -91.000 TRP 131 1.040 -1.786 34.535 33.277 -99.200 -91.000 TRP6 131 1.020 -0.368 34.006 35.122 -99.200 -91.000 TYR 148 0.840 -15.057 40.910 46.803 -99.200 -91.000 TYR 154 0.840 -18.610 21.354 55.818 -99.200 -91.000 TYR 160 0.840 -25.049 27.489 48.209 -99.200 -91.000 TRP 161 1.040 -19.802 22.997 45.132 -99.200 -91.000 TRP6 161 1.020 -19.290 21.758 43.172 -99.200 -91.000 HIS 190 0.900 -3.922 35.910 45.893 -99.200 -91.000 TYR 197 0.840 -5.820 41.137 49.823 -99.200 -91.000 HIS 200 0.900 -6.894 32.541 54.588 -99.200 -91.000 PHE 205 1.000 -14.417 20.312 43.715 -99.200 -91.000 PHE 220 1.000 -10.946 28.797 45.468 -99.200 -91.000 TYR 226 0.840 -4.389 19.690 52.970 -99.200 -91.000 TRP 229 1.040 1.666 16.888 53.153 -99.200 -91.000 TRP6 229 1.020 1.773 18.132 51.136 -99.200 -91.000