============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 2 1.000 20.381 20.013 10.091 -99.200 -91.000 TYR 13 0.840 18.461 15.449 27.498 -99.200 -91.000 TYR 26 0.840 6.058 13.820 11.990 -99.200 -91.000 PHE 31 1.000 15.317 7.932 17.519 -99.200 -91.000 HIS 35 0.900 8.184 13.435 6.563 -99.200 -91.000 PHE 55 1.000 25.749 13.906 14.362 -99.200 -91.000 PHE 67 1.000 20.364 5.774 14.812 -99.200 -91.000 TRP 78 1.040 7.067 6.350 16.141 -99.200 -91.000 TRP6 78 1.020 9.320 6.669 16.663 -99.200 -91.000 TRP 94 1.040 19.212 4.900 30.133 -99.200 -91.000 TRP6 94 1.020 20.140 2.910 29.342 -99.200 -91.000 HIS 103 0.900 18.956 -0.207 25.490 -99.200 -91.000