============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 60.038 -1.347 18.330 -99.200 -91.000 TYR 14 0.840 55.324 10.986 21.148 -99.200 -91.000 TYR 22 0.840 50.391 2.637 41.833 -99.200 -91.000 HIS 23 0.900 53.375 3.489 33.876 -99.200 -91.000 PHE 24 1.000 48.006 6.693 37.574 -99.200 -91.000 TRP 34 1.040 47.295 22.839 29.356 -99.200 -91.000 TRP6 34 1.020 45.351 22.294 30.529 -99.200 -91.000 HIS 40 0.900 40.963 3.639 31.124 -99.200 -91.000 TYR 42 0.840 40.272 12.251 38.563 -99.200 -91.000 PHE 64 1.000 60.643 11.913 38.844 -99.200 -91.000 HIS 73 0.900 34.135 15.006 26.590 -99.200 -91.000 TYR 76 0.840 35.169 8.165 31.556 -99.200 -91.000 TRP 121 1.040 57.906 2.864 30.886 -99.200 -91.000 TRP6 121 1.020 57.239 5.024 30.286 -99.200 -91.000 TYR 131 0.840 52.578 -4.687 35.080 -99.200 -91.000 TYR 152 0.840 36.759 -5.282 20.664 -99.200 -91.000 PHE 161 1.000 42.454 4.935 16.497 -99.200 -91.000 TYR 165 0.840 50.059 -6.024 13.987 -99.200 -91.000 TRP 193 1.040 37.438 0.096 24.941 -99.200 -91.000 TRP6 193 1.020 36.367 -1.787 24.042 -99.200 -91.000 TYR 206 0.840 44.731 1.712 20.363 -99.200 -91.000 TYR 212 0.840 36.939 13.071 22.020 -99.200 -91.000 TRP 215 1.040 36.294 19.222 25.611 -99.200 -91.000 TRP6 215 1.020 37.900 17.933 26.745 -99.200 -91.000