============================================================================= 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. PHE 5 1.000 -3.079 39.164 -6.261 -99.200 -91.000 HIS 30 0.900 -1.330 56.766 -3.379 -99.200 -91.000 HIS 39 0.900 -18.565 60.411 -2.969 -99.200 -91.000 PHE 58 1.000 -7.691 62.966 -11.247 -99.200 -91.000 PHE 60 1.000 -13.058 63.021 -9.186 -99.200 -91.000 PHE 99 1.000 -41.429 46.428 8.458 -99.200 -91.000 TRP 107 1.040 -37.986 51.252 1.963 -99.200 -91.000 TRP6 107 1.020 -37.308 49.051 2.500 -99.200 -91.000 PHE 119 1.000 -30.041 52.528 -12.280 -99.200 -91.000 HIS 127 0.900 -21.428 51.618 -24.023 -99.200 -91.000 TYR 155 0.840 -26.314 48.484 5.976 -99.200 -91.000 PHE 165 1.000 -26.528 47.356 -9.996 -99.200 -91.000 PHE 187 1.000 -21.660 43.615 12.555 -99.200 -91.000 TYR 219 0.840 -8.901 37.830 -5.591 -99.200 -91.000 TYR 227 0.840 -13.121 32.149 -15.711 -99.200 -91.000 HIS 234 0.900 -20.248 36.500 2.385 -99.200 -91.000