============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 37 0.840 13.379 12.351 81.678 -99.200 -91.000 TRP 40 1.040 12.700 19.043 69.336 -99.200 -91.000 TRP6 40 1.020 10.914 20.197 68.298 -99.200 -91.000 TYR 41 0.840 11.612 10.702 68.387 -99.200 -91.000 TYR 54 0.840 19.829 12.166 73.749 -99.200 -91.000 TRP 55 1.040 18.345 13.510 78.787 -99.200 -91.000 TRP6 55 1.020 20.568 12.949 79.391 -99.200 -91.000 PHE 67 1.000 18.485 18.962 61.453 -99.200 -91.000 PHE 76 1.000 10.611 21.694 76.230 -99.200 -91.000 TYR 91 0.840 12.189 18.439 60.757 -99.200 -91.000 TYR 92 0.840 5.367 13.735 63.587 -99.200 -91.000 TYR 97 0.840 8.112 15.172 84.306 -99.200 -91.000 PHE 103 1.000 5.462 10.238 69.231 -99.200 -91.000 PHE 123 1.000 4.565 9.200 28.039 -99.200 -91.000 PHE 140 1.000 4.155 10.326 33.659 -99.200 -91.000 PHE 144 1.000 4.350 21.002 39.006 -99.200 -91.000 TYR 145 0.840 8.749 26.458 44.455 -99.200 -91.000 TRP 153 1.040 -6.356 14.988 30.659 -99.200 -91.000 TRP6 153 1.020 -4.834 13.749 29.340 -99.200 -91.000 TRP 168 1.040 -1.161 17.141 42.438 -99.200 -91.000 TRP6 168 1.020 -3.284 16.139 42.726 -99.200 -91.000 TYR 178 0.840 6.214 20.835 45.730 -99.200 -91.000 TYR 191 0.840 -7.264 6.168 21.998 -99.200 -91.000 HIS 194 0.900 -14.281 11.506 20.422 -99.200 -91.000 TYR 197 0.840 -7.893 11.058 22.477 -99.200 -91.000 HIS 203 0.900 4.145 26.329 37.601 -99.200 -91.000 PHE 214 1.000 -2.472 10.898 21.805 -99.200 -91.000