============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 23.198 3.290 60.171 -99.200 -91.000 TRP6 7 1.020 23.501 5.413 59.192 -99.200 -91.000 PHE 11 1.000 24.540 -1.306 53.069 -99.200 -91.000 PHE 20 1.000 20.767 5.934 53.900 -99.200 -91.000 TYR 42 0.840 29.837 3.865 42.695 -99.200 -91.000 PHE 48 1.000 21.941 14.529 33.908 -99.200 -91.000 HIS 65 0.900 -0.120 22.391 35.294 -99.200 -91.000 PHE 68 1.000 7.650 16.192 28.540 -99.200 -91.000 TRP 70 1.040 4.502 5.988 22.792 -99.200 -91.000 TRP6 70 1.020 3.024 4.164 22.556 -99.200 -91.000 TRP 80 1.040 9.707 4.028 30.492 -99.200 -91.000 TRP6 80 1.020 11.814 3.377 29.658 -99.200 -91.000 PHE 98 1.000 13.259 13.586 32.148 -99.200 -91.000 TYR 113 0.840 21.331 25.916 32.703 -99.200 -91.000 PHE 117 1.000 21.763 22.816 37.917 -99.200 -91.000 TYR 119 0.840 24.405 15.560 38.665 -99.200 -91.000 PHE 131 1.000 24.689 13.837 29.669 -99.200 -91.000 TRP 132 1.040 20.662 10.094 31.618 -99.200 -91.000 TRP6 132 1.020 20.333 11.366 29.663 -99.200 -91.000 PHE 147 1.000 21.216 18.449 41.790 -99.200 -91.000 TYR 152 0.840 14.407 21.241 52.357 -99.200 -91.000 TYR 178 0.840 7.782 10.101 56.756 -99.200 -91.000 HIS 181 0.900 9.802 16.577 47.916 -99.200 -91.000 PHE 186 1.000 18.878 -2.066 37.000 -99.200 -91.000 TRP 199 1.040 23.054 6.138 41.607 -99.200 -91.000 TRP6 199 1.020 24.326 7.376 43.158 -99.200 -91.000 TRP 200 1.040 14.730 5.742 46.832 -99.200 -91.000 TRP6 200 1.020 14.128 5.531 49.103 -99.200 -91.000 TRP 203 1.040 13.725 16.719 50.270 -99.200 -91.000 TRP6 203 1.020 14.292 17.256 48.047 -99.200 -91.000 TYR 211 0.840 15.892 13.144 59.751 -99.200 -91.000 PHE 212 1.000 18.706 18.011 52.947 -99.200 -91.000 PHE 213 1.000 16.594 9.111 50.683 -99.200 -91.000 PHE 215 1.000 21.522 1.633 49.083 -99.200 -91.000