============================================================================= 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. PHE 27 1.000 28.851 17.380 66.447 -99.200 -91.000 PHE 29 1.000 27.051 23.567 65.546 -99.200 -91.000 TYR 32 0.840 33.830 18.228 65.183 -99.200 -91.000 TYR 33 0.840 36.769 24.022 58.627 -99.200 -91.000 TRP 36 1.040 23.847 23.397 55.162 -99.200 -91.000 TRP6 36 1.020 21.965 22.120 55.797 -99.200 -91.000 TRP 47 1.040 31.024 21.249 50.361 -99.200 -91.000 TRP6 47 1.020 32.028 23.263 49.650 -99.200 -91.000 PHE 50 1.000 34.448 25.066 53.943 -99.200 -91.000 TYR 58 0.840 32.146 30.108 65.097 -99.200 -91.000 TYR 62 0.840 27.963 30.443 50.781 -99.200 -91.000 PHE 70 1.000 20.721 27.225 47.607 -99.200 -91.000 TYR 82 0.840 19.514 27.929 62.034 -99.200 -91.000 TYR 96 0.840 18.870 20.930 49.357 -99.200 -91.000 TYR 97 0.840 21.934 13.442 52.115 -99.200 -91.000 PHE 105 1.000 45.534 20.780 56.366 -99.200 -91.000 TYR 112 0.840 30.045 10.400 63.272 -99.200 -91.000 TRP 113 1.040 27.988 12.370 55.364 -99.200 -91.000 TRP6 113 1.020 27.664 13.359 53.244 -99.200 -91.000 TYR 132 0.840 -7.144 3.501 49.553 -99.200 -91.000 TYR 151 0.840 2.759 10.087 48.104 -99.200 -91.000 PHE 152 1.000 3.762 17.261 44.035 -99.200 -91.000 TRP 160 1.040 5.175 -2.344 57.103 -99.200 -91.000 TRP6 160 1.020 2.929 -2.848 56.578 -99.200 -91.000 HIS 170 0.900 11.657 -6.709 50.201 -99.200 -91.000 PHE 172 1.000 7.694 -2.980 46.534 -99.200 -91.000 TYR 181 0.840 5.956 11.862 43.664 -99.200 -91.000 TRP 194 1.040 -2.023 -10.449 60.202 -99.200 -91.000 TRP6 194 1.020 -3.478 -11.066 58.451 -99.200 -91.000 HIS 205 0.900 2.300 14.071 51.868 -99.200 -91.000