============================================================================= 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. PHE 15 1.000 21.848 63.680 26.902 -99.200 -91.000 PHE 29 1.000 32.474 62.725 35.854 -99.200 -91.000 HIS 35 0.900 13.270 67.790 29.685 -99.200 -91.000 HIS 46 0.900 15.518 64.502 26.981 -99.200 -91.000 TRP 48 1.040 24.830 61.021 31.214 -99.200 -91.000 TRP6 48 1.020 26.259 59.589 32.433 -99.200 -91.000 TYR 72 0.840 10.544 54.479 27.412 -99.200 -91.000 HIS 83 0.900 20.027 53.518 35.971 -99.200 -91.000 PHE 97 1.000 30.461 57.087 36.489 -99.200 -91.000 TYR 108 0.840 34.151 52.677 29.423 -99.200 -91.000 PHE 110 1.000 27.197 61.780 26.905 -99.200 -91.000 PHE 111 1.000 23.493 54.609 25.956 -99.200 -91.000 PHE 114 1.000 10.688 59.300 25.405 -99.200 -91.000 HIS 117 0.900 14.116 61.548 23.414 -99.200 -91.000