============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 2 1.000 -49.418 -17.333 8.634 -99.200 -91.000 TYR 8 0.840 -44.096 -12.670 -4.905 -99.200 -91.000 PHE 12 1.000 -45.126 -7.283 -6.281 -99.200 -91.000 PHE 19 1.000 -42.736 -7.415 2.256 -99.200 -91.000 TYR 26 0.840 -28.449 -6.459 21.074 -99.200 -91.000 HIS 31 0.900 -14.429 -4.730 22.083 -99.200 -91.000 PHE 34 1.000 -9.274 -2.524 30.056 -99.200 -91.000 PHE 48 1.000 -35.239 -3.665 4.115 -99.200 -91.000 HIS 56 0.900 -41.134 6.131 -2.006 -99.200 -91.000 PHE 58 1.000 -41.131 5.090 4.445 -99.200 -91.000 HIS 63 0.900 -25.969 6.601 18.723 -99.200 -91.000 TRP 67 1.040 -29.119 -1.323 21.605 -99.200 -91.000 TRP6 67 1.020 -31.405 -1.907 21.392 -99.200 -91.000 TRP 79 1.040 -41.827 -5.591 23.462 -99.200 -91.000 TRP6 79 1.020 -44.195 -5.616 23.471 -99.200 -91.000 HIS 115 0.900 -45.538 -0.635 20.744 -99.200 -91.000 PHE 119 1.000 -51.720 4.403 13.669 -99.200 -91.000 PHE 133 1.000 -37.569 -7.758 2.526 -99.200 -91.000 PHE 157 1.000 -30.703 5.133 1.707 -99.200 -91.000 TYR 160 0.840 -38.453 -2.041 -5.989 -99.200 -91.000 TRP 163 1.040 -33.189 -1.121 -10.601 -99.200 -91.000 TRP6 163 1.020 -33.237 -2.743 -8.871 -99.200 -91.000 TYR 170 0.840 -43.993 -10.884 -10.720 -99.200 -91.000 PHE 173 1.000 -40.739 -8.285 -3.147 -99.200 -91.000 TYR 205 0.840 -29.093 10.022 -8.503 -99.200 -91.000 HIS 206 0.900 -29.675 5.246 -9.052 -99.200 -91.000 TRP 208 1.040 -29.733 -2.101 -5.704 -99.200 -91.000 TRP6 208 1.020 -28.819 -3.935 -4.528 -99.200 -91.000 PHE 211 1.000 -24.978 -4.070 -12.839 -99.200 -91.000 TRP 216 1.040 -30.023 -3.993 -13.886 -99.200 -91.000 TRP6 216 1.020 -29.382 -4.766 -11.740 -99.200 -91.000 TYR 231 0.840 -32.015 -25.802 -2.888 -99.200 -91.000 TYR 235 0.840 -31.617 -28.900 0.844 -99.200 -91.000