============================================================================= 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 36.121 -75.065 52.421 -99.200 -91.000 PHE 11 1.000 37.882 -84.221 57.305 -99.200 -91.000 PHE 18 1.000 29.701 -76.183 57.818 -99.200 -91.000 TYR 22 0.840 24.469 -77.816 56.197 -99.200 -91.000 PHE 44 1.000 14.803-100.105 72.960 -99.200 -91.000 HIS 69 0.900 19.465-110.314 70.409 -99.200 -91.000 TYR 74 0.840 13.813 -95.773 62.514 -99.200 -91.000 HIS 83 0.900 19.637 -98.354 53.373 -99.200 -91.000 PHE 95 1.000 27.934-112.265 66.065 -99.200 -91.000 TYR 99 0.840 31.035-115.405 64.540 -99.200 -91.000 PHE 108 1.000 21.968-104.320 65.647 -99.200 -91.000 TYR 115 0.840 24.884 -99.734 55.902 -99.200 -91.000 HIS 119 0.900 25.801 -95.121 53.846 -99.200 -91.000 TYR 122 0.840 33.399 -94.416 50.245 -99.200 -91.000 PHE 128 1.000 22.164 -94.488 56.534 -99.200 -91.000 PHE 134 1.000 21.742 -99.690 68.439 -99.200 -91.000 HIS 143 0.900 25.177-104.998 77.062 -99.200 -91.000 TYR 145 0.840 25.619 -99.871 72.894 -99.200 -91.000 TYR 153 0.840 29.070 -97.529 68.588 -99.200 -91.000 TRP 154 1.040 29.466 -91.661 72.757 -99.200 -91.000 TRP6 154 1.020 31.755 -92.210 72.845 -99.200 -91.000 TYR 156 0.840 23.641 -92.197 74.846 -99.200 -91.000 HIS 178 0.900 14.758 -87.887 92.096 -99.200 -91.000 TYR 196 0.840 0.532 -88.982 77.228 -99.200 -91.000 HIS 199 0.900 2.323 -84.104 71.677 -99.200 -91.000 PHE 207 1.000 0.915 -87.988 72.695 -99.200 -91.000 TRP 213 1.040 7.942-105.234 77.717 -99.200 -91.000 TRP6 213 1.020 7.486-105.665 79.990 -99.200 -91.000 HIS 223 0.900 11.513-105.355 70.569 -99.200 -91.000 PHE 225 1.000 6.615-103.672 68.705 -99.200 -91.000 PHE 237 1.000 3.185 -93.513 86.832 -99.200 -91.000