============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 46.860 27.988 16.390 -99.200 -91.000 TRP6 14 1.020 48.135 29.939 16.805 -99.200 -91.000 PHE 19 1.000 34.832 18.154 3.715 -99.200 -91.000 TRP 37 1.040 54.996 15.051 12.122 -99.200 -91.000 TRP6 37 1.020 54.252 12.862 12.486 -99.200 -91.000 HIS 43 0.900 36.432 12.518 20.914 -99.200 -91.000 TYR 47 0.840 33.285 6.751 21.773 -99.200 -91.000 TRP 49 1.040 28.941 7.802 20.054 -99.200 -91.000 TRP6 49 1.020 29.672 10.034 20.111 -99.200 -91.000 PHE 53 1.000 35.591 8.477 10.313 -99.200 -91.000 HIS 65 0.900 36.697 33.856 8.979 -99.200 -91.000 TYR 70 0.840 38.352 24.985 -3.128 -99.200 -91.000 TYR 84 0.840 52.375 7.659 13.300 -99.200 -91.000 HIS 86 0.900 49.402 7.213 24.762 -99.200 -91.000 TYR 89 0.840 41.116 6.675 22.468 -99.200 -91.000 TRP 91 1.040 38.389 2.193 22.578 -99.200 -91.000 TRP6 91 1.020 36.499 0.839 22.749 -99.200 -91.000 PHE 110 1.000 54.550 26.348 8.351 -99.200 -91.000 TYR 113 0.840 45.079 34.690 4.910 -99.200 -91.000 HIS 115 0.900 53.749 31.021 11.845 -99.200 -91.000 TYR 132 0.840 47.690 32.342 35.791 -99.200 -91.000 TRP 139 1.040 35.121 26.327 11.155 -99.200 -91.000 TRP6 139 1.020 37.312 25.458 11.056 -99.200 -91.000 TRP 146 1.040 19.696 23.270 16.342 -99.200 -91.000 TRP6 146 1.020 21.789 22.274 16.727 -99.200 -91.000 PHE 184 1.000 43.569 21.946 30.513 -99.200 -91.000 TYR 188 0.840 34.000 32.681 32.261 -99.200 -91.000 PHE 207 1.000 42.500 26.143 27.585 -99.200 -91.000 PHE 213 1.000 57.014 37.644 31.648 -99.200 -91.000 TRP 217 1.040 48.977 33.480 20.235 -99.200 -91.000 TRP6 217 1.020 47.056 33.750 21.597 -99.200 -91.000 TYR 218 0.840 54.568 28.794 24.475 -99.200 -91.000 TRP 225 1.040 36.184 13.886 28.994 -99.200 -91.000 TRP6 225 1.020 34.794 14.041 30.892 -99.200 -91.000 TYR 235 0.840 33.198 23.796 36.137 -99.200 -91.000 PHE 237 1.000 36.524 17.183 33.185 -99.200 -91.000 TYR 238 0.840 39.119 22.126 27.178 -99.200 -91.000 HIS 240 0.900 48.528 18.583 31.503 -99.200 -91.000 PHE 242 1.000 55.199 19.602 30.162 -99.200 -91.000 TRP 247 1.040 52.309 8.604 21.764 -99.200 -91.000 TRP6 247 1.020 50.854 9.907 20.468 -99.200 -91.000 PHE 255 1.000 66.595 16.870 16.646 -99.200 -91.000