============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 12 0.900 22.316 53.736 -7.832 -99.200 -91.000 TRP 23 1.040 23.803 50.986 7.418 -99.200 -91.000 TRP6 23 1.020 25.260 49.364 8.342 -99.200 -91.000 PHE 32 1.000 30.577 50.968 13.671 -99.200 -91.000 PHE 40 1.000 29.129 46.812 5.277 -99.200 -91.000 HIS 62 0.900 28.806 54.351 17.158 -99.200 -91.000 TRP 80 1.040 43.043 47.612 -6.321 -99.200 -91.000 TRP6 80 1.020 42.134 45.454 -6.020 -99.200 -91.000 HIS 84 0.900 45.313 44.583 -7.578 -99.200 -91.000 HIS 87 0.900 50.885 49.155 -20.002 -99.200 -91.000 TRP 109 1.040 35.883 49.650 -13.644 -99.200 -91.000 TRP6 109 1.020 35.999 51.604 -12.318 -99.200 -91.000 HIS 112 0.900 35.293 43.907 -18.349 -99.200 -91.000 TYR 122 0.840 34.414 51.440 -0.286 -99.200 -91.000 TRP 125 1.040 39.946 47.244 0.104 -99.200 -91.000 TRP6 125 1.020 40.118 49.003 -1.474 -99.200 -91.000 TYR 137 0.840 32.198 50.964 19.348 -99.200 -91.000