============================================================================= 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 35.285 -75.621 53.336 -99.200 -91.000 PHE 11 1.000 37.336 -84.701 58.145 -99.200 -91.000 PHE 18 1.000 29.155 -76.910 58.749 -99.200 -91.000 TYR 22 0.840 23.522 -78.514 56.833 -99.200 -91.000 PHE 44 1.000 13.989-100.936 73.378 -99.200 -91.000 HIS 69 0.900 18.861-111.164 70.577 -99.200 -91.000 TYR 74 0.840 13.172 -96.388 63.139 -99.200 -91.000 HIS 83 0.900 18.938 -98.605 54.088 -99.200 -91.000 PHE 95 1.000 27.458-112.697 66.385 -99.200 -91.000 TYR 99 0.840 30.916-115.664 64.765 -99.200 -91.000 PHE 108 1.000 21.340-104.904 66.217 -99.200 -91.000 TYR 115 0.840 24.202-100.118 56.816 -99.200 -91.000 HIS 119 0.900 25.096 -95.712 54.761 -99.200 -91.000 TYR 122 0.840 32.566 -94.452 50.883 -99.200 -91.000 PHE 128 1.000 21.568 -95.202 57.450 -99.200 -91.000 PHE 134 1.000 21.183-100.188 69.098 -99.200 -91.000 HIS 143 0.900 24.328-105.735 77.371 -99.200 -91.000 TYR 145 0.840 24.906-100.561 73.362 -99.200 -91.000 TYR 153 0.840 28.187 -97.951 69.040 -99.200 -91.000 TRP 154 1.040 28.976 -92.365 73.415 -99.200 -91.000 TRP6 154 1.020 31.235 -93.060 73.385 -99.200 -91.000 TYR 156 0.840 23.016 -92.959 75.580 -99.200 -91.000 HIS 178 0.900 13.973 -88.502 92.486 -99.200 -91.000 TYR 196 0.840 -0.024 -89.936 78.161 -99.200 -91.000 HIS 199 0.900 1.685 -85.040 72.660 -99.200 -91.000 PHE 207 1.000 0.654 -88.937 73.454 -99.200 -91.000 TRP 213 1.040 7.586-105.898 78.290 -99.200 -91.000 TRP6 213 1.020 7.099-106.061 80.604 -99.200 -91.000 HIS 223 0.900 10.572-106.006 70.877 -99.200 -91.000 PHE 225 1.000 5.703-104.142 69.307 -99.200 -91.000 PHE 237 1.000 3.029 -93.878 87.188 -99.200 -91.000