============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 170.855 0.367 -39.363 -99.200 -91.000 PHE 5 1.000 176.688 -0.012 -33.200 -99.200 -91.000 TYR 28 0.840 180.596 11.453 -59.001 -99.200 -91.000 TYR 44 0.840 186.753 28.272 -66.188 -99.200 -91.000 TYR 48 0.840 188.681 32.782 -73.012 -99.200 -91.000 TYR 50 0.840 177.333 34.542 -72.305 -99.200 -91.000 HIS 51 0.900 186.070 38.439 -69.260 -99.200 -91.000 PHE 54 1.000 184.023 43.953 -70.777 -99.200 -91.000 TYR 56 0.840 181.955 44.041 -81.618 -99.200 -91.000 PHE 57 1.000 177.967 44.006 -78.349 -99.200 -91.000 PHE 70 1.000 172.998 39.905 -70.787 -99.200 -91.000 PHE 71 1.000 176.517 39.969 -74.513 -99.200 -91.000 HIS 81 0.900 175.596 29.612 -64.118 -99.200 -91.000 TYR 88 0.840 177.429 17.115 -57.429 -99.200 -91.000 PHE 108 1.000 181.280 38.222 -80.427 -99.200 -91.000 HIS 110 0.900 174.431 39.377 -89.238 -99.200 -91.000 HIS 118 0.900 175.958 37.772 -85.149 -99.200 -91.000 HIS 138 0.900 168.140 14.630 -65.113 -99.200 -91.000 PHE 152 1.000 175.132 20.169 -58.445 -99.200 -91.000 TYR 157 0.840 174.562 23.882 -62.589 -99.200 -91.000 TYR 171 0.840 167.790 40.874 -71.988 -99.200 -91.000 HIS 182 0.900 165.969 57.305 -80.673 -99.200 -91.000 TRP 185 1.040 172.287 55.292 -77.288 -99.200 -91.000 TRP6 185 1.020 170.749 56.690 -76.162 -99.200 -91.000 HIS 186 0.900 164.467 54.211 -75.313 -99.200 -91.000 PHE 187 1.000 167.494 45.482 -75.407 -99.200 -91.000 HIS 193 0.900 170.580 53.620 -66.739 -99.200 -91.000