============================================================================= 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. PHE 7 1.000 60.925 -6.431 12.809 -99.200 -91.000 PHE 28 1.000 54.077 3.559 19.597 -99.200 -91.000 PHE 31 1.000 53.676 -4.596 12.039 -99.200 -91.000 TRP 32 1.040 54.341 3.361 8.882 -99.200 -91.000 TRP6 32 1.020 54.485 5.016 7.207 -99.200 -91.000 TRP 35 1.040 47.600 2.355 2.528 -99.200 -91.000 TRP6 35 1.020 45.878 1.525 3.931 -99.200 -91.000 PHE 43 1.000 53.662 7.801 10.977 -99.200 -91.000 TYR 45 0.840 47.977 12.565 18.252 -99.200 -91.000 TYR 50 0.840 62.156 8.408 18.597 -99.200 -91.000 HIS 52 0.900 57.921 14.956 25.467 -99.200 -91.000 PHE 53 1.000 58.019 8.409 27.460 -99.200 -91.000 HIS 73 0.900 63.971 10.085 1.777 -99.200 -91.000 PHE 75 1.000 53.289 10.363 5.098 -99.200 -91.000 TYR 79 0.840 51.772 13.582 8.325 -99.200 -91.000 PHE 83 1.000 57.743 8.142 13.599 -99.200 -91.000 TYR 97 0.840 55.572 -8.646 15.154 -99.200 -91.000 PHE 106 1.000 51.791 -6.372 17.051 -99.200 -91.000 HIS 128 0.900 53.200 10.267 29.375 -99.200 -91.000 TYR 130 0.840 49.226 1.058 26.251 -99.200 -91.000