============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 55 0.900 35.799 33.434 11.752 -99.200 -91.000 HIS 78 0.900 54.384 -2.323 7.382 -99.200 -91.000 HIS 85 0.900 53.628 5.349 16.551 -99.200 -91.000 PHE 86 1.000 50.499 14.723 11.790 -99.200 -91.000 TRP 111 1.040 28.402 11.730 21.692 -99.200 -91.000 TRP6 111 1.020 27.666 10.453 23.542 -99.200 -91.000 PHE 114 1.000 23.325 7.276 23.430 -99.200 -91.000 PHE 126 1.000 27.423 4.486 12.787 -99.200 -91.000 HIS 153 0.900 39.149 0.319 15.285 -99.200 -91.000 HIS 156 0.900 39.737 -4.604 10.602 -99.200 -91.000 HIS 162 0.900 38.408 -23.043 8.151 -99.200 -91.000 PHE 200 1.000 24.593 -3.499 -2.247 -99.200 -91.000 HIS 215 0.900 20.576 -12.948 -0.448 -99.200 -91.000 TYR 249 0.840 23.997 -4.749 3.696 -99.200 -91.000 TYR 256 0.840 20.634 -13.685 5.282 -99.200 -91.000 PHE 264 1.000 22.928 -15.283 20.831 -99.200 -91.000 HIS 265 0.900 15.749 -12.726 17.270 -99.200 -91.000 HIS 272 0.900 18.576 11.978 12.104 -99.200 -91.000 TYR 273 0.840 22.988 13.125 12.196 -99.200 -91.000 HIS 275 0.900 26.500 12.147 2.095 -99.200 -91.000