============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 13 1.040 31.528 10.668 9.476 -99.200 -91.000 TRP6 13 1.020 33.560 11.630 10.115 -99.200 -91.000 PHE 32 1.000 43.643 -12.472 23.802 -99.200 -91.000 PHE 36 1.000 45.477 -10.571 37.666 -99.200 -91.000 TYR 37 0.840 49.062 -6.982 37.885 -99.200 -91.000 TRP 48 1.040 43.362 -9.756 18.963 -99.200 -91.000 TRP6 48 1.020 41.460 -8.397 19.158 -99.200 -91.000 TRP 53 1.040 42.599 -0.060 19.134 -99.200 -91.000 TRP6 53 1.020 42.974 1.187 21.110 -99.200 -91.000 HIS 70 0.900 51.764 0.972 32.402 -99.200 -91.000 TYR 73 0.840 51.784 -3.533 35.475 -99.200 -91.000 TRP 91 1.040 47.695 16.009 23.614 -99.200 -91.000 TRP6 91 1.020 47.978 14.152 22.188 -99.200 -91.000 HIS 97 0.900 39.087 -2.378 33.199 -99.200 -91.000 HIS 105 0.900 44.960 -15.248 46.155 -99.200 -91.000 PHE 137 1.000 37.733 13.696 13.429 -99.200 -91.000 PHE 145 1.000 41.063 7.518 19.099 -99.200 -91.000 TYR 148 0.840 43.275 4.265 30.471 -99.200 -91.000 TYR 165 0.840 49.079 12.136 28.198 -99.200 -91.000 TYR 183 0.840 23.240 -6.703 33.344 -99.200 -91.000 PHE 192 1.000 26.201 10.938 30.999 -99.200 -91.000 TYR 196 0.840 37.474 9.415 43.209 -99.200 -91.000 PHE 201 1.000 34.357 15.097 29.578 -99.200 -91.000 TYR 204 0.840 30.629 18.704 25.219 -99.200 -91.000 TYR 212 0.840 25.438 15.527 17.694 -99.200 -91.000 TYR 218 0.840 20.625 12.541 29.783 -99.200 -91.000 PHE 220 1.000 22.999 13.075 35.452 -99.200 -91.000 TYR 225 0.840 34.668 1.321 44.185 -99.200 -91.000 HIS 230 0.900 35.938 7.087 36.844 -99.200 -91.000 TRP 233 1.040 42.819 9.998 32.229 -99.200 -91.000 TRP6 233 1.020 44.699 11.019 31.244 -99.200 -91.000 HIS 234 0.900 38.191 14.152 40.083 -99.200 -91.000 TYR 238 0.840 45.508 16.440 32.956 -99.200 -91.000 PHE 244 1.000 28.789 1.324 35.568 -99.200 -91.000 PHE 248 1.000 28.891 1.268 41.318 -99.200 -91.000 TYR 251 0.840 28.320 -3.316 39.597 -99.200 -91.000 HIS 256 0.900 35.585 -7.262 39.207 -99.200 -91.000 HIS 271 0.900 23.011 -0.525 27.738 -99.200 -91.000 PHE 275 1.000 26.861 3.081 27.662 -99.200 -91.000 TYR 282 0.840 35.198 13.028 24.452 -99.200 -91.000