============================================================================= 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. HIS 10 0.900 16.768 11.456 53.638 -99.200 -91.000 TRP 14 1.040 20.139 11.135 42.090 -99.200 -91.000 TRP6 14 1.020 21.784 9.649 42.902 -99.200 -91.000 PHE 19 1.000 6.362 19.911 45.855 -99.200 -91.000 TRP 35 1.040 24.131 25.273 37.431 -99.200 -91.000 TRP6 35 1.020 23.035 26.684 35.878 -99.200 -91.000 HIS 41 0.900 7.108 17.373 30.098 -99.200 -91.000 TYR 47 0.840 9.740 26.267 37.948 -99.200 -91.000 HIS 54 0.900 11.821 8.333 51.946 -99.200 -91.000 HIS 72 0.900 18.698 21.644 23.022 -99.200 -91.000 TYR 75 0.840 10.277 21.695 24.781 -99.200 -91.000 HIS 82 0.900 6.208 13.898 23.329 -99.200 -91.000 HIS 84 0.900 16.421 18.618 20.271 -99.200 -91.000 TRP 122 1.040 8.015 12.251 46.480 -99.200 -91.000 TRP6 122 1.020 10.039 13.359 45.967 -99.200 -91.000 PHE 132 1.000 -0.461 12.134 41.488 -99.200 -91.000 TYR 144 0.840 11.732 -2.061 26.965 -99.200 -91.000 TYR 153 0.840 5.977 5.103 22.831 -99.200 -91.000 TRP 193 1.040 8.141 11.168 25.050 -99.200 -91.000 TRP6 193 1.020 7.098 9.769 23.462 -99.200 -91.000 TYR 207 0.840 12.856 6.789 31.236 -99.200 -91.000 TYR 213 0.840 19.662 16.455 24.393 -99.200 -91.000 TRP 216 1.040 21.960 23.107 26.126 -99.200 -91.000 TRP6 216 1.020 20.577 22.439 27.926 -99.200 -91.000