============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 -1.291 45.318 20.792 -99.200 -91.000 PHE 29 1.000 -2.092 41.636 14.895 -99.200 -91.000 PHE 32 1.000 -3.781 49.904 19.475 -99.200 -91.000 TRP 33 1.040 -1.894 52.460 11.325 -99.200 -91.000 TRP6 33 1.020 -1.749 51.941 9.012 -99.200 -91.000 HIS 35 0.900 4.517 52.179 12.427 -99.200 -91.000 TRP 36 1.040 7.045 44.524 10.703 -99.200 -91.000 TRP6 36 1.020 8.050 42.563 11.592 -99.200 -91.000 TRP 47 1.040 8.712 53.164 9.341 -99.200 -91.000 TRP6 47 1.020 7.607 53.574 7.285 -99.200 -91.000 TYR 52 0.840 -5.848 49.542 11.621 -99.200 -91.000 TYR 60 0.840 5.548 47.322 2.258 -99.200 -91.000 PHE 64 1.000 13.912 48.593 3.959 -99.200 -91.000 TYR 80 0.840 3.039 35.641 10.482 -99.200 -91.000 TYR 93 0.840 15.608 42.629 9.355 -99.200 -91.000 TYR 94 0.840 15.140 46.137 17.413 -99.200 -91.000 TYR 101 0.840 -5.872 60.031 24.839 -99.200 -91.000 TYR 103 0.840 1.747 57.482 26.762 -99.200 -91.000 TYR 107 0.840 3.787 48.481 25.592 -99.200 -91.000 TRP 108 1.040 10.032 50.262 20.480 -99.200 -91.000 TRP6 108 1.020 11.251 50.773 18.515 -99.200 -91.000 TYR 127 0.840 45.322 30.086 15.276 -99.200 -91.000 TYR 148 0.840 33.666 32.959 15.771 -99.200 -91.000 PHE 149 1.000 27.829 31.372 9.697 -99.200 -91.000 TRP 157 1.040 41.583 36.351 28.650 -99.200 -91.000 TRP6 157 1.020 43.483 35.351 27.669 -99.200 -91.000 HIS 167 0.900 40.985 46.302 27.302 -99.200 -91.000 PHE 169 1.000 40.447 44.297 21.325 -99.200 -91.000 TYR 178 0.840 30.540 35.881 12.402 -99.200 -91.000 TRP 191 1.040 52.230 34.011 31.176 -99.200 -91.000 TRP6 191 1.020 53.620 34.986 29.530 -99.200 -91.000 HIS 202 0.900 31.245 28.224 16.959 -99.200 -91.000