============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 3 0.840 -22.182 45.488 114.216 -99.200 -91.000 TRP 13 1.040 -24.495 36.498 99.513 -99.200 -91.000 TRP6 13 1.020 -22.162 36.786 99.540 -99.200 -91.000 TYR 35 0.840 -34.636 20.204 123.818 -99.200 -91.000 HIS 51 0.900 -13.409 26.777 112.222 -99.200 -91.000 TRP 72 1.040 -19.708 32.183 117.481 -99.200 -91.000 TRP6 72 1.020 -20.887 30.671 118.863 -99.200 -91.000 PHE 78 1.000 -5.919 33.430 106.601 -99.200 -91.000 HIS 83 0.900 -21.938 34.761 102.926 -99.200 -91.000 PHE 96 1.000 -17.620 41.571 119.437 -99.200 -91.000 TRP 98 1.040 -11.542 40.982 110.472 -99.200 -91.000 TRP6 98 1.020 -11.908 41.702 112.682 -99.200 -91.000 TYR 106 0.840 -8.073 33.398 117.152 -99.200 -91.000 TRP 108 1.040 -10.201 44.200 120.162 -99.200 -91.000 TRP6 108 1.020 -12.201 44.184 118.897 -99.200 -91.000 PHE 117 1.000 -22.218 37.055 127.454 -99.200 -91.000 TYR 122 0.840 -17.803 39.005 135.435 -99.200 -91.000 TYR 136 0.840 -7.805 35.447 127.151 -99.200 -91.000 TYR 148 0.840 -23.065 27.979 136.737 -99.200 -91.000 TYR 162 0.840 -10.497 13.158 127.207 -99.200 -91.000 PHE 186 1.000 -22.806 9.830 111.128 -99.200 -91.000 TYR 190 0.840 -20.004 9.507 106.196 -99.200 -91.000 TYR 218 0.840 -7.133 5.581 106.335 -99.200 -91.000 PHE 232 1.000 -13.662 14.738 92.573 -99.200 -91.000 TYR 254 0.840 -6.669 4.890 100.686 -99.200 -91.000 HIS 267 0.900 1.525 14.625 90.570 -99.200 -91.000 PHE 269 1.000 3.912 16.435 99.519 -99.200 -91.000 HIS 283 0.900 9.129 15.982 105.250 -99.200 -91.000 PHE 284 1.000 7.938 23.013 103.985 -99.200 -91.000 HIS 298 0.900 -8.663 24.018 115.671 -99.200 -91.000 PHE 299 1.000 -4.308 24.922 117.297 -99.200 -91.000 TRP 307 1.040 13.014 25.875 107.041 -99.200 -91.000 TRP6 307 1.020 12.900 25.279 104.760 -99.200 -91.000 TYR 325 0.840 5.502 30.645 100.270 -99.200 -91.000 HIS 332 0.900 7.894 28.138 90.608 -99.200 -91.000 HIS 350 0.900 -16.425 19.359 107.502 -99.200 -91.000 PHE 353 1.000 -28.224 15.611 106.155 -99.200 -91.000 PHE 359 1.000 -22.153 23.847 114.211 -99.200 -91.000 TRP 370 1.040 -28.430 27.402 131.769 -99.200 -91.000 TRP6 370 1.020 -26.964 28.809 132.947 -99.200 -91.000 TYR 378 0.840 -23.179 16.927 133.341 -99.200 -91.000 TYR 387 0.840 -18.915 14.941 133.297 -99.200 -91.000 PHE 388 1.000 -16.761 10.208 126.056 -99.200 -91.000 HIS 401 0.900 -29.468 15.706 111.500 -99.200 -91.000 TYR 419 0.840 -31.547 -13.581 119.586 -99.200 -91.000 PHE 428 1.000 -32.213 1.138 118.542 -99.200 -91.000 HIS 432 0.900 -18.528 -2.834 124.327 -99.200 -91.000 TYR 433 0.840 -21.570 -1.097 117.261 -99.200 -91.000 TYR 435 0.840 -22.350 3.434 116.925 -99.200 -91.000