============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 13.768 40.165 53.106 -99.200 -91.000 TRP6 14 1.020 15.104 41.983 52.377 -99.200 -91.000 PHE 19 1.000 9.613 28.489 68.247 -99.200 -91.000 TRP 37 1.040 -0.768 44.258 57.501 -99.200 -91.000 TRP6 37 1.020 -2.629 42.792 57.599 -99.200 -91.000 HIS 43 0.900 2.805 24.853 52.213 -99.200 -91.000 TYR 47 0.840 -1.798 19.827 52.778 -99.200 -91.000 TRP 49 1.040 0.065 15.825 55.253 -99.200 -91.000 TRP6 49 1.020 1.995 17.016 54.668 -99.200 -91.000 PHE 53 1.000 -0.331 24.806 63.267 -99.200 -91.000 HIS 65 0.900 23.263 34.535 61.517 -99.200 -91.000 TYR 70 0.840 14.957 35.358 73.677 -99.200 -91.000 TYR 84 0.840 -7.009 38.954 57.683 -99.200 -91.000 HIS 86 0.900 -6.774 33.991 47.018 -99.200 -91.000 TYR 89 0.840 -4.326 26.564 50.699 -99.200 -91.000 TRP 91 1.040 -7.900 22.799 51.351 -99.200 -91.000 TRP6 91 1.020 -8.876 20.654 51.642 -99.200 -91.000 PHE 110 1.000 10.085 48.319 60.132 -99.200 -91.000 TYR 113 0.840 21.041 43.164 64.090 -99.200 -91.000 HIS 115 0.900 14.367 48.342 56.281 -99.200 -91.000 TYR 132 0.840 16.383 38.411 33.824 -99.200 -91.000 TRP 139 1.040 16.881 29.989 60.510 -99.200 -91.000 TRP6 139 1.020 15.291 31.753 60.381 -99.200 -91.000 TRP 146 1.040 9.325 16.378 49.781 -99.200 -91.000 TRP6 146 1.020 10.457 18.022 51.027 -99.200 -91.000 PHE 184 1.000 8.369 32.401 40.822 -99.200 -91.000 TYR 188 0.840 21.704 26.834 39.475 -99.200 -91.000 PHE 207 1.000 12.910 33.260 43.315 -99.200 -91.000 PHE 213 1.000 15.095 48.213 35.663 -99.200 -91.000 TRP 217 1.040 17.844 43.162 48.300 -99.200 -91.000 TRP6 217 1.020 18.716 41.212 47.314 -99.200 -91.000 TYR 218 0.840 10.811 45.945 44.079 -99.200 -91.000 TRP 225 1.040 3.694 22.925 44.577 -99.200 -91.000 TRP6 225 1.020 4.323 21.317 42.935 -99.200 -91.000 TYR 235 0.840 13.404 22.153 36.989 -99.200 -91.000 PHE 237 1.000 6.595 23.472 40.131 -99.200 -91.000 TYR 238 0.840 10.369 29.195 44.636 -99.200 -91.000 HIS 240 0.900 3.532 35.567 39.283 -99.200 -91.000 PHE 242 1.000 1.795 42.289 39.225 -99.200 -91.000 TRP 247 1.040 -6.722 37.732 49.250 -99.200 -91.000 TRP6 247 1.020 -5.002 36.979 50.676 -99.200 -91.000 PHE 255 1.000 -11.169 47.471 60.355 -99.200 -91.000