============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 6 1.000 24.916 30.412 11.690 -99.200 -91.000 PHE 27 1.000 16.321 19.541 8.066 -99.200 -91.000 PHE 30 1.000 26.773 24.001 8.787 -99.200 -91.000 TRP 31 1.040 23.427 24.074 1.006 -99.200 -91.000 TRP6 31 1.020 23.364 24.480 -1.319 -99.200 -91.000 TRP 34 1.040 30.909 19.343 -2.628 -99.200 -91.000 TRP6 34 1.020 31.308 21.612 -2.080 -99.200 -91.000 HIS 37 0.900 20.140 11.655 -1.253 -99.200 -91.000 PHE 42 1.000 19.411 22.251 -0.725 -99.200 -91.000 TYR 44 0.840 13.667 13.292 -1.118 -99.200 -91.000 TYR 49 0.840 10.283 26.309 4.782 -99.200 -91.000 HIS 51 0.900 2.445 19.711 8.140 -99.200 -91.000 PHE 52 1.000 7.073 18.920 9.488 -99.200 -91.000 HIS 72 0.900 19.926 33.687 -6.469 -99.200 -91.000 PHE 74 1.000 21.990 22.149 -5.683 -99.200 -91.000 TYR 78 0.840 18.768 20.186 -8.559 -99.200 -91.000 PHE 82 1.000 15.523 24.680 1.299 -99.200 -91.000 TYR 96 0.840 26.812 25.105 14.102 -99.200 -91.000 PHE 105 1.000 25.735 20.332 13.338 -99.200 -91.000 HIS 127 0.900 6.617 13.318 8.587 -99.200 -91.000 TYR 129 0.840 16.435 13.042 11.061 -99.200 -91.000