============================================================================= 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. PHE 5 1.000 -33.039 -92.408 132.966 -99.200 -91.000 HIS 7 0.900 -27.867 -87.761 141.590 -99.200 -91.000 PHE 9 1.000 -23.739 -88.642 143.388 -99.200 -91.000 PHE 14 1.000 -29.116 -95.618 135.545 -99.200 -91.000 PHE 23 1.000 -38.745 -85.610 126.458 -99.200 -91.000 PHE 35 1.000 -50.175 -74.408 118.277 -99.200 -91.000 PHE 49 1.000 -54.683 -63.001 111.219 -99.200 -91.000 PHE 64 1.000 -42.376 -64.711 124.423 -99.200 -91.000 HIS 73 0.900 -48.409 -66.381 140.143 -99.200 -91.000 HIS 102 0.900 -54.710 -70.081 122.674 -99.200 -91.000 PHE 103 1.000 -60.851 -66.049 116.604 -99.200 -91.000 HIS 132 0.900 -22.521 -96.969 115.486 -99.200 -91.000 HIS 146 0.900 -18.010-118.620 110.464 -99.200 -91.000 TYR 152 0.840 -25.108-122.327 129.956 -99.200 -91.000 TRP 170 1.040 -27.800-111.050 122.344 -99.200 -91.000 TRP6 170 1.020 -25.465-111.385 122.274 -99.200 -91.000 HIS 177 0.900 -37.733-104.010 118.979 -99.200 -91.000 PHE 184 1.000 -45.551 -93.765 116.498 -99.200 -91.000 PHE 189 1.000 -43.124 -88.953 115.896 -99.200 -91.000 PHE 193 1.000 -55.968 -75.346 114.892 -99.200 -91.000 TRP 226 1.040 -53.920 -85.956 118.370 -99.200 -91.000 TRP6 226 1.020 -52.178 -86.017 119.956 -99.200 -91.000 HIS 227 0.900 -58.482 -81.233 122.169 -99.200 -91.000 PHE 236 1.000 -42.443 -92.433 120.553 -99.200 -91.000 PHE 250 1.000 -26.045-107.000 124.008 -99.200 -91.000 PHE 283 1.000 -37.772 -96.045 134.641 -99.200 -91.000 HIS 292 0.900 -51.261 -99.748 126.921 -99.200 -91.000 TRP 306 1.040 -52.460 -83.776 128.455 -99.200 -91.000 TRP6 306 1.020 -52.660 -81.437 128.641 -99.200 -91.000 TRP 310 1.040 -48.543 -83.232 130.848 -99.200 -91.000 TRP6 310 1.020 -49.431 -81.429 132.064 -99.200 -91.000