============================================================================= 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. TYR 10 0.840 -30.531 -18.442 40.692 -99.200 -91.000 PHE 13 1.000 -32.947 -14.780 36.124 -99.200 -91.000 PHE 18 1.000 -24.628 -10.003 35.655 -99.200 -91.000 HIS 63 0.900 -32.527 -11.631 53.165 -99.200 -91.000 PHE 67 1.000 -25.085 -13.530 60.045 -99.200 -91.000 TYR 83 0.840 -24.458 -21.934 60.429 -99.200 -91.000 HIS 89 0.900 -32.240 -33.982 59.347 -99.200 -91.000 TYR 94 0.840 -26.324 -20.949 44.056 -99.200 -91.000 HIS 97 0.900 -27.985 -10.203 50.269 -99.200 -91.000 TRP 110 1.040 -39.201 -10.441 39.027 -99.200 -91.000 TRP6 110 1.020 -38.171 -11.834 40.650 -99.200 -91.000 PHE 111 1.000 -39.705 -5.499 44.947 -99.200 -91.000 TYR 121 0.840 -27.182 1.233 36.149 -99.200 -91.000 PHE 142 1.000 -45.677 10.232 49.812 -99.200 -91.000 TRP 143 1.040 -54.432 8.884 50.113 -99.200 -91.000 TRP6 143 1.020 -54.328 8.339 52.424 -99.200 -91.000 PHE 153 1.000 -44.941 -4.470 46.535 -99.200 -91.000 HIS 161 0.900 -46.528 12.617 55.228 -99.200 -91.000 TYR 162 0.840 -40.009 16.190 58.464 -99.200 -91.000 PHE 184 1.000 -27.573 1.012 47.280 -99.200 -91.000 TYR 185 0.840 -30.683 10.001 51.073 -99.200 -91.000 TYR 196 0.840 -34.543 4.785 47.432 -99.200 -91.000 TYR 202 0.840 -30.357 2.505 59.751 -99.200 -91.000 TYR 203 0.840 -36.599 9.840 64.125 -99.200 -91.000 HIS 204 0.900 -29.615 12.055 61.347 -99.200 -91.000 HIS 220 0.900 -34.957 -6.183 54.704 -99.200 -91.000 TYR 221 0.840 -41.935 -12.044 54.771 -99.200 -91.000 PHE 226 1.000 -34.875 -15.590 46.000 -99.200 -91.000 TRP 237 1.040 -35.071 -22.284 33.629 -99.200 -91.000 TRP6 237 1.020 -33.939 -21.335 35.502 -99.200 -91.000 TRP 243 1.040 -33.901 -29.939 34.569 -99.200 -91.000 TRP6 243 1.020 -33.585 -27.892 35.758 -99.200 -91.000 PHE 257 1.000 -39.527 -6.604 62.453 -99.200 -91.000 HIS 258 0.900 -46.172 -11.519 62.431 -99.200 -91.000 HIS 259 0.900 -46.380 -3.579 61.224 -99.200 -91.000