============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 5 1.000 18.151 -15.252 45.036 -99.200 -91.000 HIS 6 0.900 11.146 -16.176 44.903 -99.200 -91.000 HIS 45 0.900 10.298 -21.034 36.675 -99.200 -91.000 PHE 48 1.000 6.023 -15.046 41.550 -99.200 -91.000 TRP 51 1.040 3.098 -15.383 27.710 -99.200 -91.000 TRP6 51 1.020 2.484 -15.892 25.473 -99.200 -91.000 PHE 87 1.000 7.480 -2.847 38.366 -99.200 -91.000 HIS 99 0.900 -25.570 6.658 42.716 -99.200 -91.000 HIS 120 0.900 7.204 -6.933 55.865 -99.200 -91.000 PHE 121 1.000 8.663 -3.496 49.962 -99.200 -91.000 PHE 126 1.000 6.135 6.829 50.934 -99.200 -91.000 PHE 132 1.000 0.364 14.110 36.641 -99.200 -91.000 HIS 150 0.900 -17.124 5.722 38.498 -99.200 -91.000 PHE 160 1.000 -13.021 -12.972 47.879 -99.200 -91.000 TYR 161 0.840 -13.988 -15.558 51.881 -99.200 -91.000 TYR 167 0.840 -20.082 -9.282 59.257 -99.200 -91.000 TYR 170 0.840 -15.530 -23.148 60.375 -99.200 -91.000 PHE 178 1.000 -9.777 -5.180 58.606 -99.200 -91.000 TRP 185 1.040 -12.559 0.748 54.492 -99.200 -91.000 TRP6 185 1.020 -11.034 2.072 55.728 -99.200 -91.000 TYR 193 0.840 -13.401 -3.679 50.908 -99.200 -91.000 HIS 235 0.900 -14.765 -2.638 26.258 -99.200 -91.000