============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 9 1.000 33.317 3.353 24.268 -99.200 -91.000 TYR 25 0.840 34.174 5.978 18.657 -99.200 -91.000 TYR 33 0.840 18.166 2.610 29.169 -99.200 -91.000 HIS 42 0.900 16.389 8.596 27.482 -99.200 -91.000 TRP 53 1.040 26.770 14.056 41.227 -99.200 -91.000 TRP6 53 1.020 26.721 11.786 41.807 -99.200 -91.000 TRP 54 1.040 30.348 7.537 39.282 -99.200 -91.000 TRP6 54 1.020 32.608 6.845 39.229 -99.200 -91.000 HIS 58 0.900 31.294 7.711 42.966 -99.200 -91.000 HIS 61 0.900 40.944 4.260 45.988 -99.200 -91.000 TYR 69 0.840 34.601 -9.985 26.286 -99.200 -91.000 PHE 75 1.000 31.531 -1.252 22.061 -99.200 -91.000 PHE 79 1.000 33.538 -0.700 31.705 -99.200 -91.000 PHE 81 1.000 37.976 0.859 36.212 -99.200 -91.000 TYR 99 0.840 29.677 0.694 26.238 -99.200 -91.000 PHE 111 1.000 27.269 1.531 31.858 -99.200 -91.000 TYR 112 0.840 23.367 -5.791 31.018 -99.200 -91.000 TYR 113 0.840 26.484 -3.992 41.607 -99.200 -91.000