============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 28 1.000 -11.848 -1.676 5.834 -99.200 -91.000 PHE 41 1.000 -13.760 -0.086 -15.291 -99.200 -91.000 PHE 52 1.000 -5.272 -0.033 6.803 -99.200 -91.000 HIS 62 0.900 -0.492 5.695 24.265 -99.200 -91.000 TYR 105 0.840 -8.295 -2.427 25.222 -99.200 -91.000 TYR 115 0.840 -10.395 -8.688 10.518 -99.200 -91.000 PHE 116 1.000 -9.937 -1.304 9.505 -99.200 -91.000 TYR 129 0.840 -7.509 -11.695 -10.103 -99.200 -91.000 HIS 155 0.900 -2.072 -17.767 5.665 -99.200 -91.000 TRP 170 1.040 -9.326 -8.960 29.144 -99.200 -91.000 TRP6 170 1.020 -8.737 -6.996 27.990 -99.200 -91.000 TRP 207 1.040 -23.056 -10.927 -12.574 -99.200 -91.000 TRP6 207 1.020 -22.055 -10.711 -10.442 -99.200 -91.000 TYR 212 0.840 -19.364 -4.497 -10.350 -99.200 -91.000 TRP 215 1.040 -20.460 -9.319 -5.595 -99.200 -91.000 TRP6 215 1.020 -18.560 -7.981 -6.017 -99.200 -91.000 PHE 219 1.000 -16.417 -7.793 -1.501 -99.200 -91.000 TYR 237 0.840 -5.473 2.090 21.742 -99.200 -91.000 HIS 239 0.900 -13.433 3.685 29.165 -99.200 -91.000 PHE 244 1.000 -0.742 5.096 31.231 -99.200 -91.000