============================================================================= 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. TRP 12 1.040 41.869 19.334 33.403 -99.200 -91.000 TRP6 12 1.020 41.026 17.293 32.538 -99.200 -91.000 PHE 31 1.000 26.950 0.799 41.703 -99.200 -91.000 TYR 37 0.840 20.400 2.862 45.532 -99.200 -91.000 TYR 42 0.840 30.820 -3.414 34.095 -99.200 -91.000 HIS 45 0.900 39.678 3.012 36.163 -99.200 -91.000 PHE 46 1.000 44.057 6.081 33.637 -99.200 -91.000 TYR 56 0.840 32.016 3.189 23.683 -99.200 -91.000 PHE 67 1.000 38.536 26.059 22.408 -99.200 -91.000 TRP 69 1.040 33.153 19.158 25.357 -99.200 -91.000 TRP6 69 1.020 32.510 19.813 27.544 -99.200 -91.000 TYR 83 0.840 25.613 -5.355 34.506 -99.200 -91.000 HIS 98 0.900 44.143 18.248 49.483 -99.200 -91.000 PHE 101 1.000 35.968 18.278 41.243 -99.200 -91.000 TYR 114 0.840 23.352 15.749 17.169 -99.200 -91.000 PHE 122 1.000 33.263 19.037 37.906 -99.200 -91.000 PHE 136 1.000 22.672 8.331 33.262 -99.200 -91.000 TRP 144 1.040 19.017 2.196 31.091 -99.200 -91.000 TRP6 144 1.020 20.177 1.603 33.063 -99.200 -91.000 PHE 146 1.000 20.955 13.040 34.498 -99.200 -91.000 HIS 147 0.900 16.795 8.913 39.366 -99.200 -91.000 HIS 151 0.900 24.703 13.822 45.465 -99.200 -91.000 TYR 153 0.840 31.463 10.284 47.027 -99.200 -91.000 PHE 160 1.000 34.199 8.988 43.000 -99.200 -91.000