============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 6.304 38.011 47.090 -99.200 -91.000 TYR 16 0.840 14.134 37.143 33.784 -99.200 -91.000 TYR 24 0.840 25.044 34.494 30.336 -99.200 -91.000 PHE 29 1.000 16.230 34.211 38.278 -99.200 -91.000 TYR 32 0.840 10.308 39.089 51.409 -99.200 -91.000 PHE 46 1.000 20.720 27.345 52.038 -99.200 -91.000 TYR 48 0.840 21.317 31.038 47.138 -99.200 -91.000 TYR 58 0.840 2.862 31.033 42.578 -99.200 -91.000 TRP 67 1.040 -0.549 17.602 44.211 -99.200 -91.000 TRP6 67 1.020 -1.274 19.684 45.128 -99.200 -91.000 HIS 77 0.900 12.353 13.756 47.283 -99.200 -91.000 TYR 90 0.840 -6.912 19.447 54.301 -99.200 -91.000 PHE 98 1.000 3.798 24.855 52.011 -99.200 -91.000 PHE 102 1.000 8.408 33.555 52.797 -99.200 -91.000 TYR 111 0.840 -14.590 48.114 42.764 -99.200 -91.000 TYR 131 0.840 -18.030 38.789 42.821 -99.200 -91.000 PHE 142 1.000 -11.761 31.304 51.763 -99.200 -91.000 PHE 143 1.000 -13.631 33.825 47.540 -99.200 -91.000 TYR 151 0.840 -16.374 34.400 52.550 -99.200 -91.000 TRP 155 1.040 -17.029 27.848 43.353 -99.200 -91.000 TRP6 155 1.020 -15.112 28.395 42.046 -99.200 -91.000 PHE 157 1.000 -20.335 37.389 39.226 -99.200 -91.000 TYR 182 0.840 -12.201 41.336 37.628 -99.200 -91.000 TYR 193 0.840 5.014 45.393 44.115 -99.200 -91.000 TYR 213 0.840 2.650 34.629 50.302 -99.200 -91.000 TYR 223 0.840 19.025 21.208 53.675 -99.200 -91.000 HIS 241 0.900 8.647 46.371 59.462 -99.200 -91.000 TRP 247 1.040 13.090 43.526 48.021 -99.200 -91.000 TRP6 247 1.020 14.048 43.913 45.869 -99.200 -91.000 TRP 248 1.040 4.958 44.717 49.678 -99.200 -91.000 TRP6 248 1.020 6.354 42.777 49.487 -99.200 -91.000