============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 51.455 -17.831 0.988 -99.200 -91.000 PHE 19 1.000 53.553 -24.457 -31.610 -99.200 -91.000 PHE 26 1.000 48.508 -38.001 -36.839 -99.200 -91.000 TYR 46 0.840 53.717 -22.878 -8.590 -99.200 -91.000 TYR 57 0.840 60.077 -23.595 -10.054 -99.200 -91.000 HIS 62 0.900 57.784 -6.172 -18.700 -99.200 -91.000 TRP 72 1.040 56.253 -11.839 -24.687 -99.200 -91.000 TRP6 72 1.020 54.559 -13.480 -24.391 -99.200 -91.000 TYR 82 0.840 49.516 -12.429 -19.799 -99.200 -91.000 HIS 111 0.900 62.077 -22.547 -18.816 -99.200 -91.000 HIS 113 0.900 62.455 -21.238 -23.345 -99.200 -91.000 HIS 116 0.900 57.941 -20.857 -17.417 -99.200 -91.000 TYR 122 0.840 58.640 -5.668 -12.568 -99.200 -91.000 PHE 123 1.000 61.865 -10.542 -8.211 -99.200 -91.000 HIS 131 0.900 71.962 -25.738 -16.223 -99.200 -91.000 PHE 135 1.000 74.024 -14.861 -17.298 -99.200 -91.000 TYR 141 0.840 68.252 -17.657 -28.986 -99.200 -91.000 PHE 142 1.000 71.014 -7.827 -24.805 -99.200 -91.000 HIS 147 0.900 64.320 -9.286 -31.785 -99.200 -91.000 TYR 151 0.840 66.173 -18.785 -24.124 -99.200 -91.000 TRP 159 1.040 65.565 -10.395 -17.640 -99.200 -91.000 TRP6 159 1.020 65.934 -12.520 -18.613 -99.200 -91.000 TRP 166 1.040 71.988 -12.241 -13.229 -99.200 -91.000 TRP6 166 1.020 70.171 -13.476 -14.123 -99.200 -91.000 PHE 187 1.000 63.765 -31.317 -12.530 -99.200 -91.000 HIS 191 0.900 60.655 -25.941 -22.442 -99.200 -91.000 PHE 208 1.000 51.712 -29.074 -3.249 -99.200 -91.000 TYR 216 0.840 55.136 -27.083 -22.487 -99.200 -91.000 TYR 221 0.840 54.222 -37.316 -13.822 -99.200 -91.000 HIS 232 0.900 68.560 -27.428 -26.285 -99.200 -91.000 TYR 237 0.840 59.815 -33.740 -22.371 -99.200 -91.000 HIS 243 0.900 65.753 -36.693 -11.246 -99.200 -91.000 TYR 247 0.840 63.418 -35.343 -5.612 -99.200 -91.000 PHE 257 1.000 51.918 -32.628 -14.120 -99.200 -91.000 HIS 259 0.900 53.038 -23.053 -19.173 -99.200 -91.000 PHE 264 1.000 47.158 -21.874 -11.771 -99.200 -91.000 PHE 274 1.000 48.716 -20.278 4.564 -99.200 -91.000 TYR 275 0.840 47.937 -26.034 -1.629 -99.200 -91.000