============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 20.829 53.188 13.882 -99.200 -91.000 TYR 14 0.840 8.522 54.561 19.181 -99.200 -91.000 TYR 22 0.840 7.088 73.568 6.354 -99.200 -91.000 HIS 23 0.900 9.438 66.258 9.804 -99.200 -91.000 PHE 24 1.000 5.106 71.510 12.423 -99.200 -91.000 TRP 34 1.040 -5.738 61.477 22.930 -99.200 -91.000 TRP6 34 1.020 -5.821 63.812 23.289 -99.200 -91.000 HIS 40 0.900 10.178 73.193 20.407 -99.200 -91.000 TYR 42 0.840 -0.839 75.839 18.287 -99.200 -91.000 PHE 64 1.000 0.001 61.449 4.318 -99.200 -91.000 HIS 73 0.900 2.304 71.355 31.824 -99.200 -91.000 TYR 76 0.840 5.963 76.246 25.642 -99.200 -91.000 TRP 121 1.040 11.549 61.276 8.536 -99.200 -91.000 TRP6 121 1.020 9.760 60.654 9.954 -99.200 -91.000 TYR 131 0.840 16.800 69.967 7.140 -99.200 -91.000 TYR 152 0.840 22.993 73.013 26.974 -99.200 -91.000 PHE 161 1.000 15.815 63.171 29.156 -99.200 -91.000 TYR 165 0.840 27.271 58.875 22.609 -99.200 -91.000 TRP 193 1.040 16.303 73.417 25.554 -99.200 -91.000 TRP6 193 1.020 18.332 74.354 26.334 -99.200 -91.000 TYR 206 0.840 17.022 64.844 23.847 -99.200 -91.000 TYR 212 0.840 5.873 67.444 32.098 -99.200 -91.000 TRP 215 1.040 -1.048 67.986 32.040 -99.200 -91.000 TRP6 215 1.020 -0.156 67.920 29.847 -99.200 -91.000