============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 3 0.900 53.458 7.554 -0.028 -99.200 -91.000 HIS 39 0.900 44.944 -19.118 24.153 -99.200 -91.000 TRP 40 1.040 46.214 -21.424 19.749 -99.200 -91.000 TRP6 40 1.020 47.519 -20.442 18.057 -99.200 -91.000 PHE 47 1.000 44.210 -25.462 29.031 -99.200 -91.000 HIS 51 0.900 43.481 -21.620 26.433 -99.200 -91.000 PHE 57 1.000 49.842 -11.678 29.780 -99.200 -91.000 HIS 64 0.900 49.782 -1.058 23.962 -99.200 -91.000 TYR 80 0.840 59.078 -1.323 5.791 -99.200 -91.000 TYR 95 0.840 57.304 -19.864 23.238 -99.200 -91.000 TYR 100 0.840 54.089 -30.075 23.814 -99.200 -91.000 HIS 103 0.900 58.400 -23.669 36.095 -99.200 -91.000 HIS 105 0.900 54.208 -23.323 26.396 -99.200 -91.000 TYR 113 0.840 54.548 -11.223 27.101 -99.200 -91.000 PHE 139 1.000 58.092 3.448 20.785 -99.200 -91.000 TRP 151 1.040 52.883 -8.339 39.115 -99.200 -91.000 TRP6 151 1.020 50.803 -7.244 39.209 -99.200 -91.000 PHE 152 1.000 48.119 -9.606 35.461 -99.200 -91.000 HIS 156 0.900 50.755 -17.038 36.935 -99.200 -91.000