============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.769 -75.253 52.930 -99.200 -91.000 PHE 11 1.000 37.766 -84.353 57.738 -99.200 -91.000 PHE 18 1.000 29.796 -76.519 58.277 -99.200 -91.000 TYR 22 0.840 24.129 -77.997 56.361 -99.200 -91.000 PHE 44 1.000 14.337-100.308 73.116 -99.200 -91.000 HIS 69 0.900 19.099-110.459 70.514 -99.200 -91.000 TYR 74 0.840 13.353 -95.977 62.738 -99.200 -91.000 HIS 83 0.900 19.349 -98.156 53.680 -99.200 -91.000 PHE 95 1.000 27.724-112.326 66.260 -99.200 -91.000 TYR 99 0.840 30.947-115.259 64.851 -99.200 -91.000 PHE 108 1.000 21.578-104.412 65.935 -99.200 -91.000 TYR 115 0.840 24.638 -99.753 56.209 -99.200 -91.000 HIS 119 0.900 25.408 -95.330 54.126 -99.200 -91.000 TYR 122 0.840 32.878 -94.229 50.457 -99.200 -91.000 PHE 128 1.000 21.887 -94.663 56.890 -99.200 -91.000 PHE 134 1.000 21.466 -99.628 68.788 -99.200 -91.000 HIS 143 0.900 24.596-105.032 77.056 -99.200 -91.000 TYR 145 0.840 25.206 -99.823 72.949 -99.200 -91.000 TYR 153 0.840 28.444 -97.400 68.744 -99.200 -91.000 TRP 154 1.040 29.191 -91.901 72.984 -99.200 -91.000 TRP6 154 1.020 31.453 -92.568 73.076 -99.200 -91.000 TYR 156 0.840 23.373 -92.449 75.307 -99.200 -91.000 HIS 178 0.900 14.496 -87.778 92.090 -99.200 -91.000 TYR 196 0.840 0.365 -89.189 77.592 -99.200 -91.000 HIS 199 0.900 2.100 -84.432 72.037 -99.200 -91.000 PHE 207 1.000 0.651 -88.189 72.746 -99.200 -91.000 TRP 213 1.040 7.711-105.171 77.899 -99.200 -91.000 TRP6 213 1.020 7.291-105.500 80.204 -99.200 -91.000 HIS 223 0.900 11.145-105.124 70.785 -99.200 -91.000 PHE 225 1.000 5.939-103.610 68.937 -99.200 -91.000 PHE 237 1.000 3.011 -93.289 86.664 -99.200 -91.000