============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 3 1.040 -26.945 9.409 15.028 -99.200 -91.000 TRP6 3 1.020 -24.725 9.676 14.334 -99.200 -91.000 PHE 6 1.000 -23.241 4.532 15.802 -99.200 -91.000 PHE 9 1.000 -25.819 4.709 10.137 -99.200 -91.000 PHE 20 1.000 -14.020 6.288 9.218 -99.200 -91.000 PHE 21 1.000 -18.925 10.078 13.642 -99.200 -91.000 PHE 62 1.000 -43.528 18.213 -7.875 -99.200 -91.000 PHE 78 1.000 -18.336 13.510 16.782 -99.200 -91.000 TYR 93 0.840 -31.979 33.794 -15.019 -99.200 -91.000 HIS 96 0.900 -27.341 35.902 -7.063 -99.200 -91.000 PHE 105 1.000 -29.629 27.736 9.927 -99.200 -91.000 TYR 116 0.840 -21.827 22.097 -5.710 -99.200 -91.000 TYR 123 0.840 -26.253 11.102 -20.201 -99.200 -91.000 PHE 140 1.000 -21.293 30.414 2.316 -99.200 -91.000 TRP 145 1.040 -14.767 26.958 -3.773 -99.200 -91.000 TRP6 145 1.020 -16.639 25.576 -4.199 -99.200 -91.000 HIS 154 0.900 -30.108 10.454 -8.496 -99.200 -91.000 PHE 157 1.000 -26.204 6.838 -15.384 -99.200 -91.000 TYR 165 0.840 -20.431 3.668 -11.849 -99.200 -91.000 PHE 168 1.000 -22.344 9.180 -17.140 -99.200 -91.000 PHE 191 1.000 -9.715 22.485 -8.530 -99.200 -91.000 TYR 200 0.840 -18.583 8.592 -7.556 -99.200 -91.000 TRP 223 1.040 -24.087 4.913 -0.120 -99.200 -91.000 TRP6 223 1.020 -24.705 6.991 0.800 -99.200 -91.000 HIS 243 0.900 -16.996 32.636 13.081 -99.200 -91.000