============================================================================= 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 35.716 -75.355 52.900 -99.200 -91.000 PHE 11 1.000 37.653 -84.447 57.796 -99.200 -91.000 PHE 18 1.000 29.647 -76.594 58.286 -99.200 -91.000 TYR 22 0.840 24.064 -78.095 56.407 -99.200 -91.000 PHE 44 1.000 14.129-100.177 73.032 -99.200 -91.000 HIS 69 0.900 18.914-110.412 70.558 -99.200 -91.000 TYR 74 0.840 13.416 -95.744 62.768 -99.200 -91.000 HIS 83 0.900 19.273 -98.233 53.686 -99.200 -91.000 PHE 95 1.000 27.488-112.346 66.456 -99.200 -91.000 TYR 99 0.840 30.733-115.297 64.791 -99.200 -91.000 PHE 108 1.000 21.488-104.385 66.067 -99.200 -91.000 TYR 115 0.840 24.554 -99.798 56.294 -99.200 -91.000 HIS 119 0.900 25.341 -95.422 54.382 -99.200 -91.000 TYR 122 0.840 32.774 -94.243 50.576 -99.200 -91.000 PHE 128 1.000 21.667 -94.696 57.137 -99.200 -91.000 PHE 134 1.000 21.373 -99.566 68.825 -99.200 -91.000 HIS 143 0.900 24.215-105.070 77.106 -99.200 -91.000 TYR 145 0.840 24.912 -99.848 73.016 -99.200 -91.000 TYR 153 0.840 28.368 -97.462 68.911 -99.200 -91.000 TRP 154 1.040 29.188 -91.785 73.147 -99.200 -91.000 TRP6 154 1.020 31.434 -92.529 73.134 -99.200 -91.000 TYR 156 0.840 23.245 -92.331 75.279 -99.200 -91.000 HIS 178 0.900 14.566 -87.596 92.213 -99.200 -91.000 TYR 196 0.840 0.195 -89.181 77.617 -99.200 -91.000 HIS 199 0.900 1.979 -84.268 72.097 -99.200 -91.000 PHE 207 1.000 0.728 -88.094 72.693 -99.200 -91.000 TRP 213 1.040 7.623-105.107 77.888 -99.200 -91.000 TRP6 213 1.020 7.088-105.335 80.176 -99.200 -91.000 HIS 223 0.900 10.765-105.257 70.671 -99.200 -91.000 PHE 225 1.000 5.937-103.603 68.883 -99.200 -91.000 PHE 237 1.000 2.997 -93.198 86.610 -99.200 -91.000