============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 3 0.840 30.834 45.117 38.259 -99.200 -91.000 TYR 9 0.840 15.437 42.679 39.584 -99.200 -91.000 PHE 10 1.000 21.225 38.240 39.634 -99.200 -91.000 PHE 19 1.000 30.423 28.013 36.814 -99.200 -91.000 PHE 20 1.000 21.263 34.165 35.489 -99.200 -91.000 PHE 30 1.000 21.989 26.777 19.024 -99.200 -91.000 HIS 31 0.900 17.870 29.158 21.056 -99.200 -91.000 TYR 33 0.840 24.373 37.022 17.021 -99.200 -91.000 PHE 49 1.000 26.826 42.689 14.397 -99.200 -91.000 PHE 59 1.000 27.844 42.100 35.168 -99.200 -91.000 TYR 73 0.840 19.197 27.931 -4.672 -99.200 -91.000 TYR 75 0.840 22.237 31.610 1.025 -99.200 -91.000 HIS 84 0.900 34.494 26.678 19.537 -99.200 -91.000 TYR 91 0.840 28.594 39.976 39.429 -99.200 -91.000 TYR 102 0.840 27.373 19.046 15.881 -99.200 -91.000 TYR 108 0.840 22.678 19.036 22.844 -99.200 -91.000 TYR 112 0.840 33.035 23.153 27.241 -99.200 -91.000