============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 -0.924 -27.174 7.083 -99.200 -91.000 TYR 7 0.840 -8.138 -29.102 0.639 -99.200 -91.000 TRP 9 1.040 -13.933 -27.703 -0.258 -99.200 -91.000 TRP6 9 1.020 -15.183 -26.867 1.549 -99.200 -91.000 PHE 14 1.000 -21.583 -21.673 -2.744 -99.200 -91.000 PHE 16 1.000 -28.255 -25.856 -9.943 -99.200 -91.000 PHE 30 1.000 -6.679 -28.735 4.917 -99.200 -91.000 TRP 36 1.040 -4.547 -29.164 10.020 -99.200 -91.000 TRP6 36 1.020 -4.877 -27.622 11.786 -99.200 -91.000 TYR 52 0.840 -22.338 -11.313 6.176 -99.200 -91.000 TYR 56 0.840 -16.870 -21.111 11.707 -99.200 -91.000 PHE 70 1.000 -7.878 -19.160 11.239 -99.200 -91.000 PHE 72 1.000 -10.335 -19.944 6.697 -99.200 -91.000 TYR 91 0.840 -7.633 -16.880 17.112 -99.200 -91.000 PHE 93 1.000 -7.245 -24.259 14.919 -99.200 -91.000 TRP 99 1.040 -9.890 -21.442 17.231 -99.200 -91.000 TRP6 99 1.020 -10.910 -19.874 18.706 -99.200 -91.000 PHE 101 1.000 -11.651 -15.180 9.311 -99.200 -91.000 PHE 104 1.000 -14.086 -16.132 3.510 -99.200 -91.000 PHE 109 1.000 -18.587 -9.789 -4.049 -99.200 -91.000 PHE 126 1.000 -4.299 -21.297 -1.579 -99.200 -91.000