============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 9.084 -7.620 -9.824 -99.200 -91.000 HIS 24 0.900 -17.205 -24.922 -26.045 -99.200 -91.000 PHE 26 1.000 -11.344 -19.480 -22.597 -99.200 -91.000 TYR 38 0.840 4.386 -6.293 3.663 -99.200 -91.000 PHE 45 1.000 -7.330 -12.682 -13.319 -99.200 -91.000 TRP 56 1.040 -14.484 -17.084 -13.695 -99.200 -91.000 TRP6 56 1.020 -12.984 -15.709 -14.887 -99.200 -91.000 PHE 67 1.000 4.024 -8.611 -9.237 -99.200 -91.000 TYR 70 0.840 12.022 -16.465 -4.441 -99.200 -91.000 HIS 73 0.900 16.034 -17.801 4.585 -99.200 -91.000 HIS 77 0.900 18.642 -20.252 -3.647 -99.200 -91.000 PHE 79 1.000 14.176 -17.659 -14.473 -99.200 -91.000 PHE 80 1.000 9.425 -17.593 -10.688 -99.200 -91.000 TYR 88 0.840 8.869 -14.957 -15.807 -99.200 -91.000 PHE 95 1.000 -0.474 -33.991 -19.326 -99.200 -91.000 PHE 96 1.000 -7.536 -29.072 -15.918 -99.200 -91.000 TYR 102 0.840 -7.319 -25.591 -19.345 -99.200 -91.000 PHE 110 1.000 8.307 -4.551 -14.278 -99.200 -91.000 PHE 126 1.000 -10.036 -29.986 -20.996 -99.200 -91.000 TYR 139 0.840 -15.405 -18.031 -7.791 -99.200 -91.000 TYR 141 0.840 -6.622 -22.440 -7.102 -99.200 -91.000 HIS 144 0.900 -3.083 -25.958 -4.759 -99.200 -91.000 TYR 147 0.840 7.231 -29.152 -4.075 -99.200 -91.000 PHE 161 1.000 2.043 -25.667 -9.978 -99.200 -91.000 HIS 165 0.900 -8.524 -27.287 -10.387 -99.200 -91.000 HIS 177 0.900 -1.078 -26.811 -12.845 -99.200 -91.000 TYR 178 0.840 4.004 -32.852 -15.809 -99.200 -91.000 HIS 195 0.900 13.196 -21.928 -4.905 -99.200 -91.000 TYR 196 0.840 7.550 -25.153 -0.144 -99.200 -91.000 HIS 213 0.900 -17.364 -10.782 -10.918 -99.200 -91.000 TYR 216 0.840 -5.270 -15.511 -7.343 -99.200 -91.000 PHE 217 1.000 -8.972 -10.675 -2.548 -99.200 -91.000 PHE 219 1.000 -3.442 -13.604 0.591 -99.200 -91.000 HIS 227 0.900 5.562 -31.693 1.595 -99.200 -91.000 TYR 233 0.840 -3.286 -40.243 0.023 -99.200 -91.000