============================================================================= 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 8.537 7.176 18.417 -99.200 -91.000 TRP6 14 1.020 7.291 9.068 19.115 -99.200 -91.000 PHE 19 1.000 12.773 -4.549 2.898 -99.200 -91.000 TRP 37 1.040 23.182 11.096 14.108 -99.200 -91.000 TRP6 37 1.020 24.991 9.589 14.125 -99.200 -91.000 HIS 43 0.900 19.372 -8.032 19.299 -99.200 -91.000 TYR 47 0.840 24.056 -13.359 18.853 -99.200 -91.000 TRP 49 1.040 22.235 -17.086 16.336 -99.200 -91.000 TRP6 49 1.020 20.157 -16.027 16.732 -99.200 -91.000 PHE 53 1.000 22.426 -8.287 8.429 -99.200 -91.000 HIS 65 0.900 -0.960 1.331 9.958 -99.200 -91.000 TYR 70 0.840 7.316 2.537 -2.096 -99.200 -91.000 TYR 84 0.840 29.283 5.988 13.681 -99.200 -91.000 HIS 86 0.900 29.004 0.800 24.509 -99.200 -91.000 TYR 89 0.840 26.569 -6.529 20.867 -99.200 -91.000 TRP 91 1.040 30.241 -10.148 20.124 -99.200 -91.000 TRP6 91 1.020 31.186 -12.304 19.778 -99.200 -91.000 PHE 110 1.000 12.277 15.473 11.667 -99.200 -91.000 TYR 113 0.840 1.346 10.073 7.366 -99.200 -91.000 HIS 115 0.900 8.006 15.236 15.336 -99.200 -91.000 TYR 132 0.840 5.966 5.381 37.520 -99.200 -91.000 TRP 139 1.040 5.579 -2.999 10.817 -99.200 -91.000 TRP6 139 1.020 7.071 -1.164 11.016 -99.200 -91.000 PHE 177 1.000 13.784 -0.872 30.621 -99.200 -91.000 TYR 181 0.840 0.507 -6.442 31.868 -99.200 -91.000 PHE 200 1.000 9.409 -0.059 28.131 -99.200 -91.000 PHE 206 1.000 6.837 14.584 36.334 -99.200 -91.000 TRP 210 1.040 4.440 9.907 23.185 -99.200 -91.000 TRP6 210 1.020 3.628 7.884 24.129 -99.200 -91.000 TYR 211 0.840 11.459 12.560 27.506 -99.200 -91.000 TRP 218 1.040 18.538 -9.969 27.136 -99.200 -91.000 TRP6 218 1.020 18.052 -11.610 28.763 -99.200 -91.000 TYR 228 0.840 8.684 -11.054 34.222 -99.200 -91.000 PHE 230 1.000 15.644 -9.597 31.337 -99.200 -91.000 TYR 231 0.840 11.821 -4.137 26.744 -99.200 -91.000 HIS 233 0.900 18.571 2.497 32.360 -99.200 -91.000 PHE 235 1.000 20.644 9.020 32.241 -99.200 -91.000 TRP 240 1.040 28.809 4.503 22.263 -99.200 -91.000 TRP6 240 1.020 26.993 3.906 20.842 -99.200 -91.000 PHE 248 1.000 32.562 9.145 14.564 -99.200 -91.000