============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 65.813 58.196 -22.038 -99.200 -91.000 TYR 36 0.840 66.569 52.803 -24.903 -99.200 -91.000 TRP 39 1.040 73.592 47.881 -36.196 -99.200 -91.000 TRP6 39 1.020 74.021 49.003 -38.239 -99.200 -91.000 TYR 53 0.840 68.703 42.955 -27.548 -99.200 -91.000 PHE 66 1.000 75.682 39.495 -39.311 -99.200 -91.000 PHE 75 1.000 75.299 54.496 -32.207 -99.200 -91.000 TYR 90 0.840 73.376 43.556 -43.333 -99.200 -91.000 TYR 91 0.840 66.301 48.787 -44.290 -99.200 -91.000 HIS 97 0.900 66.710 61.963 -29.293 -99.200 -91.000 PHE 98 1.000 56.703 59.865 -30.533 -99.200 -91.000 PHE 102 1.000 62.497 51.947 -39.170 -99.200 -91.000 PHE 122 1.000 61.244 31.747 -74.341 -99.200 -91.000 PHE 139 1.000 62.180 34.644 -69.624 -99.200 -91.000 PHE 143 1.000 72.816 39.410 -66.007 -99.200 -91.000 TYR 144 0.840 78.989 39.498 -59.843 -99.200 -91.000 TRP 152 1.040 64.132 44.002 -77.054 -99.200 -91.000 TRP6 152 1.020 63.439 41.804 -77.573 -99.200 -91.000 TRP 167 1.040 68.713 44.412 -64.497 -99.200 -91.000 TRP6 167 1.020 67.760 46.301 -65.560 -99.200 -91.000 TYR 177 0.840 73.064 40.884 -59.418 -99.200 -91.000 TYR 190 0.840 55.270 39.057 -84.363 -99.200 -91.000 HIS 193 0.900 58.773 46.156 -88.854 -99.200 -91.000 TYR 196 0.840 59.917 40.806 -84.644 -99.200 -91.000 HIS 202 0.900 77.629 40.336 -68.170 -99.200 -91.000 PHE 213 1.000 61.363 35.573 -83.058 -99.200 -91.000