============================================================================= 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 4 1.000 -13.400 -21.103 54.026 -99.200 -91.000 PHE 24 1.000 -11.163 -9.996 52.295 -99.200 -91.000 PHE 29 1.000 -13.299 -6.566 57.299 -99.200 -91.000 PHE 36 1.000 -1.020 -22.977 47.832 -99.200 -91.000 HIS 43 0.900 -12.129 -30.009 53.357 -99.200 -91.000 HIS 47 0.900 -17.198 -25.126 50.833 -99.200 -91.000 TYR 48 0.840 -18.521 -26.289 46.545 -99.200 -91.000 PHE 56 1.000 -24.665 -27.024 39.975 -99.200 -91.000 PHE 57 1.000 -21.406 -32.701 44.631 -99.200 -91.000 TYR 63 0.840 -13.492 -23.692 39.532 -99.200 -91.000 TRP 74 1.040 -9.320 -12.526 55.631 -99.200 -91.000 TRP6 74 1.020 -7.542 -11.002 55.878 -99.200 -91.000 PHE 104 1.000 -7.700 -7.987 40.589 -99.200 -91.000 HIS 114 0.900 -17.475 -19.416 49.785 -99.200 -91.000 TRP 129 1.040 -13.232 -25.249 53.827 -99.200 -91.000 TRP6 129 1.020 -11.857 -25.616 51.949 -99.200 -91.000 PHE 130 1.000 -8.606 -22.262 58.139 -99.200 -91.000 TYR 138 0.840 -3.113 -11.396 64.726 -99.200 -91.000 HIS 143 0.900 -9.472 -2.974 68.729 -99.200 -91.000 TRP 145 1.040 -4.922 4.551 66.176 -99.200 -91.000 TRP6 145 1.020 -5.589 6.713 66.845 -99.200 -91.000 TYR 147 0.840 -13.210 -2.731 64.631 -99.200 -91.000