============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 6 1.000 6.325 5.369 26.984 -99.200 -91.000 PHE 7 1.000 4.085 8.977 20.031 -99.200 -91.000 PHE 21 1.000 4.894 4.746 17.472 -99.200 -91.000 PHE 24 1.000 11.949 0.260 10.533 -99.200 -91.000 PHE 35 1.000 8.416 9.379 16.260 -99.200 -91.000 PHE 45 1.000 12.963 21.328 20.401 -99.200 -91.000 TYR 47 0.840 6.910 13.939 18.256 -99.200 -91.000 PHE 52 1.000 -1.370 10.777 17.092 -99.200 -91.000 HIS 53 0.900 -2.421 17.729 12.640 -99.200 -91.000 PHE 59 1.000 -4.383 8.860 3.722 -99.200 -91.000 PHE 66 1.000 7.299 20.265 18.785 -99.200 -91.000 HIS 69 0.900 -0.840 23.220 20.010 -99.200 -91.000 TYR 78 0.840 18.503 16.494 12.949 -99.200 -91.000 PHE 82 1.000 14.801 15.936 9.431 -99.200 -91.000 PHE 87 1.000 12.387 9.896 -0.508 -99.200 -91.000 HIS 91 0.900 5.116 5.619 2.589 -99.200 -91.000 PHE 111 1.000 3.760 11.382 14.736 -99.200 -91.000 PHE 112 1.000 2.251 9.717 6.519 -99.200 -91.000 TRP 120 1.040 -1.153 7.764 -2.042 -99.200 -91.000 TRP6 120 1.020 -2.568 6.064 -1.210 -99.200 -91.000 HIS 125 0.900 4.721 12.338 2.392 -99.200 -91.000 PHE 128 1.000 9.793 8.362 11.408 -99.200 -91.000 PHE 144 1.000 -12.421 7.876 20.086 -99.200 -91.000