============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 6 0.900 39.704 -3.112 78.936 -99.200 -91.000 TYR 14 0.840 31.800 -8.763 69.539 -99.200 -91.000 PHE 30 1.000 38.374 -9.648 67.967 -99.200 -91.000 PHE 54 1.000 33.492 -14.048 61.931 -99.200 -91.000 TYR 55 0.840 34.011 -9.817 64.061 -99.200 -91.000 PHE 80 1.000 29.942 -11.665 74.479 -99.200 -91.000 PHE 82 1.000 26.059 -12.811 71.260 -99.200 -91.000 PHE 86 1.000 20.621 -13.455 60.440 -99.200 -91.000 TYR 88 0.840 18.819 -12.210 51.562 -99.200 -91.000 HIS 100 0.900 36.287 -17.967 76.919 -99.200 -91.000 PHE 101 1.000 34.875 -10.887 73.155 -99.200 -91.000 PHE 103 1.000 38.927 -9.117 77.150 -99.200 -91.000 PHE 116 1.000 26.434 -20.027 66.064 -99.200 -91.000 HIS 122 0.900 15.822 -20.268 68.833 -99.200 -91.000