============================================================================= 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 14 1.040 38.216 -12.534 98.254 -99.200 -91.000 TRP6 14 1.020 37.274 -13.280 100.293 -99.200 -91.000 PHE 19 1.000 36.715 -11.224 81.185 -99.200 -91.000 TRP 37 1.040 36.347 2.999 95.515 -99.200 -91.000 TRP6 37 1.020 37.732 4.170 93.999 -99.200 -91.000 HIS 43 0.900 51.569 -6.672 85.927 -99.200 -91.000 TYR 47 0.840 55.496 -3.903 80.758 -99.200 -91.000 TRP 49 1.040 55.137 -6.808 76.456 -99.200 -91.000 TRP6 49 1.020 54.341 -8.438 77.972 -99.200 -91.000 PHE 53 1.000 44.329 -2.417 78.196 -99.200 -91.000 HIS 65 0.900 33.240 -22.699 90.519 -99.200 -91.000 TYR 70 0.840 25.641 -14.925 81.927 -99.200 -91.000 TYR 84 0.840 40.950 7.216 90.618 -99.200 -91.000 HIS 86 0.900 51.894 4.759 94.385 -99.200 -91.000 TYR 89 0.840 53.455 0.481 87.015 -99.200 -91.000 TRP 91 1.040 56.583 2.364 83.075 -99.200 -91.000 TRP6 91 1.020 57.882 2.221 81.104 -99.200 -91.000 PHE 110 1.000 29.208 -5.824 98.974 -99.200 -91.000 TYR 113 0.840 26.497 -17.735 94.479 -99.200 -91.000 HIS 115 0.900 30.803 -10.364 102.157 -99.200 -91.000 TYR 132 0.840 53.349 -17.260 110.079 -99.200 -91.000 TRP 139 1.040 38.463 -19.064 85.686 -99.200 -91.000 TRP6 139 1.020 37.513 -16.983 85.115 -99.200 -91.000 PHE 174 1.000 53.792 -10.515 100.019 -99.200 -91.000 TYR 178 0.840 54.370 -24.701 98.233 -99.200 -91.000 PHE 197 1.000 50.179 -14.275 99.445 -99.200 -91.000 PHE 203 1.000 42.774 -11.591 118.140 -99.200 -91.000 TRP 207 1.040 38.997 -16.015 104.178 -99.200 -91.000 TRP6 207 1.020 40.758 -17.433 103.491 -99.200 -91.000 TYR 208 0.840 42.161 -9.011 107.972 -99.200 -91.000 TRP 215 1.040 56.549 -9.615 84.313 -99.200 -91.000 TRP6 215 1.020 55.635 -8.099 82.741 -99.200 -91.000 TYR 225 0.840 61.445 -18.679 95.585 -99.200 -91.000 PHE 227 1.000 60.058 -10.398 93.718 -99.200 -91.000 TYR 228 0.840 52.316 -13.068 95.351 -99.200 -91.000 HIS 230 0.900 53.759 -5.252 103.028 -99.200 -91.000 PHE 232 1.000 50.127 -1.871 107.532 -99.200 -91.000 TRP 237 1.040 48.110 5.697 95.773 -99.200 -91.000 TRP6 237 1.020 46.971 4.007 94.570 -99.200 -91.000 PHE 245 1.000 40.358 11.434 92.527 -99.200 -91.000