============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 7 0.900 -56.935 41.350 40.830 -99.200 -91.000 HIS 18 0.900 -54.732 39.010 62.024 -99.200 -91.000 TRP 30 1.040 -52.338 35.038 54.041 -99.200 -91.000 TRP6 30 1.020 -50.489 34.043 52.963 -99.200 -91.000 HIS 53 0.900 -32.361 44.865 40.317 -99.200 -91.000 PHE 64 1.000 -38.074 26.174 56.495 -99.200 -91.000 TYR 81 0.840 -48.193 30.489 39.580 -99.200 -91.000 PHE 90 1.000 -38.380 35.174 55.735 -99.200 -91.000 PHE 108 1.000 -35.096 36.930 50.674 -99.200 -91.000 TRP 122 1.040 -41.885 36.107 35.676 -99.200 -91.000 TRP6 122 1.020 -41.977 33.888 34.878 -99.200 -91.000 TYR 133 0.840 -39.649 23.671 62.034 -99.200 -91.000 PHE 139 1.000 -48.620 28.387 59.104 -99.200 -91.000 PHE 143 1.000 -42.814 43.982 54.905 -99.200 -91.000 PHE 146 1.000 -43.527 40.279 45.063 -99.200 -91.000 HIS 147 0.900 -38.869 47.119 46.283 -99.200 -91.000