============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 21 0.840 35.043 10.727 -4.568 -99.200 -91.000 HIS 35 0.900 24.482 20.033 -25.591 -99.200 -91.000 TRP 42 1.040 16.175 31.783 -15.755 -99.200 -91.000 TRP6 42 1.020 15.797 29.473 -15.406 -99.200 -91.000 TYR 44 0.840 24.013 32.589 -7.417 -99.200 -91.000 PHE 54 1.000 27.343 16.286 -14.357 -99.200 -91.000 HIS 93 0.900 23.804 -0.966 -6.915 -99.200 -91.000 PHE 94 1.000 22.572 4.428 -12.542 -99.200 -91.000 PHE 116 1.000 19.137 -2.183 5.829 -99.200 -91.000 PHE 125 1.000 22.577 11.300 6.374 -99.200 -91.000 TYR 127 0.840 12.097 7.500 5.622 -99.200 -91.000 TYR 159 0.840 20.259 18.056 -26.132 -99.200 -91.000 PHE 165 1.000 18.356 24.376 -14.530 -99.200 -91.000 PHE 167 1.000 17.601 15.890 -10.001 -99.200 -91.000 PHE 181 1.000 26.376 13.851 28.549 -99.200 -91.000 TRP 205 1.040 16.093 1.131 -15.042 -99.200 -91.000 TRP6 205 1.020 17.295 2.381 -16.657 -99.200 -91.000 PHE 208 1.000 16.119 1.602 -22.563 -99.200 -91.000 PHE 218 1.000 17.665 10.811 -21.090 -99.200 -91.000 PHE 227 1.000 10.361 27.135 -4.754 -99.200 -91.000 TRP 229 1.040 5.413 17.868 -0.221 -99.200 -91.000 TRP6 229 1.020 7.559 16.889 -0.081 -99.200 -91.000 PHE 232 1.000 2.786 27.224 0.462 -99.200 -91.000 PHE 255 1.000 16.887 24.361 7.850 -99.200 -91.000 HIS 258 0.900 17.738 17.132 -1.140 -99.200 -91.000 HIS 286 0.900 31.087 23.858 -2.887 -99.200 -91.000 TYR 319 0.840 13.425 19.700 0.623 -99.200 -91.000 TYR 325 0.840 7.441 14.246 5.978 -99.200 -91.000