============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 22 1.000 56.468 -0.946 37.364 -99.200 -91.000 PHE 49 1.000 65.137 -1.073 48.703 -99.200 -91.000 PHE 75 1.000 57.271 3.708 50.471 -99.200 -91.000 PHE 89 1.000 31.449 -14.614 38.480 -99.200 -91.000 TRP 101 1.040 25.451 -6.244 36.884 -99.200 -91.000 TRP6 101 1.020 26.150 -6.428 34.625 -99.200 -91.000 PHE 113 1.000 35.274 8.040 39.304 -99.200 -91.000 TYR 114 0.840 34.202 3.943 44.289 -99.200 -91.000 TYR 122 0.840 49.664 12.044 46.952 -99.200 -91.000 TRP 123 1.040 49.783 11.147 41.105 -99.200 -91.000 TRP6 123 1.020 48.966 9.633 39.494 -99.200 -91.000 TYR 138 0.840 36.658 -10.271 28.756 -99.200 -91.000 TRP 140 1.040 38.447 -4.528 21.270 -99.200 -91.000 TRP6 140 1.020 40.275 -4.599 22.741 -99.200 -91.000 HIS 148 0.900 30.438 -11.905 35.088 -99.200 -91.000 TRP 166 1.040 41.950 14.114 35.502 -99.200 -91.000 TRP6 166 1.020 41.991 12.307 37.015 -99.200 -91.000 TYR 170 0.840 44.450 18.512 36.804 -99.200 -91.000 TYR 213 0.840 60.972 -0.546 33.951 -99.200 -91.000 TYR 214 0.840 57.619 1.430 25.434 -99.200 -91.000 TYR 222 0.840 53.112 12.849 21.559 -99.200 -91.000 HIS 233 0.900 42.684 -8.438 19.197 -99.200 -91.000 HIS 235 0.900 36.786 -11.519 12.774 -99.200 -91.000 TYR 237 0.840 36.064 -19.749 10.666 -99.200 -91.000