============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 1 0.840 147.258 138.373 -34.557 -99.200 -91.000 TRP 5 1.040 141.530 132.798 -35.082 -99.200 -91.000 TRP6 5 1.020 142.873 134.634 -34.541 -99.200 -91.000 PHE 18 1.000 141.003 147.133 -26.968 -99.200 -91.000 TRP 63 1.040 132.597 140.489 -22.066 -99.200 -91.000 TRP6 63 1.020 133.062 138.562 -20.737 -99.200 -91.000 TYR 72 0.840 127.304 120.625 -25.075 -99.200 -91.000 PHE 73 1.000 121.902 120.631 -24.792 -99.200 -91.000 TRP 94 1.040 137.390 129.550 -24.869 -99.200 -91.000 TRP6 94 1.020 136.677 131.702 -24.204 -99.200 -91.000 TRP 96 1.040 138.049 126.726 -16.622 -99.200 -91.000 TRP6 96 1.020 139.349 125.043 -15.570 -99.200 -91.000 TYR 102 0.840 147.237 134.667 -22.138 -99.200 -91.000 TRP 113 1.040 122.424 141.822 -23.701 -99.200 -91.000 TRP6 113 1.020 120.584 142.012 -22.235 -99.200 -91.000 PHE 115 1.000 121.943 137.320 -18.766 -99.200 -91.000 PHE 119 1.000 128.060 135.542 -14.156 -99.200 -91.000 PHE 136 1.000 127.709 141.683 -15.218 -99.200 -91.000 TRP 143 1.040 117.077 129.168 -20.202 -99.200 -91.000 TRP6 143 1.020 114.902 130.079 -20.273 -99.200 -91.000 HIS 161 0.900 127.792 130.464 1.557 -99.200 -91.000 TYR 166 0.840 118.396 136.940 -4.452 -99.200 -91.000 TYR 167 0.840 122.043 138.332 -7.646 -99.200 -91.000 PHE 174 1.000 124.684 140.057 -11.102 -99.200 -91.000 HIS 218 0.900 150.681 133.276 -13.785 -99.200 -91.000 PHE 220 1.000 144.919 137.514 -4.684 -99.200 -91.000 TRP 228 1.040 148.331 132.778 6.478 -99.200 -91.000 TRP6 228 1.020 149.176 134.964 6.855 -99.200 -91.000 TYR 234 0.840 152.878 129.363 -5.351 -99.200 -91.000 TYR 236 0.840 160.431 134.411 1.080 -99.200 -91.000