============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 13 0.900 21.535 2.809 11.443 -99.200 -91.000 TRP 19 1.040 17.485 3.581 -0.338 -99.200 -91.000 TRP6 19 1.020 18.380 5.421 0.855 -99.200 -91.000 HIS 25 0.900 15.373 -9.918 -5.372 -99.200 -91.000 PHE 39 1.000 33.357 -4.000 4.647 -99.200 -91.000 HIS 45 0.900 23.035 -7.337 12.068 -99.200 -91.000 TRP 47 1.040 29.782 0.198 12.726 -99.200 -91.000 TRP6 47 1.020 30.299 1.698 10.982 -99.200 -91.000 TYR 52 0.840 19.199 4.193 17.245 -99.200 -91.000 TYR 62 0.840 20.572 -5.913 15.800 -99.200 -91.000 TYR 66 0.840 21.418 -1.745 8.339 -99.200 -91.000 PHE 67 1.000 22.095 -9.215 7.633 -99.200 -91.000 TYR 97 0.840 27.575 6.135 10.697 -99.200 -91.000 TYR 126 0.840 31.997 -6.481 -26.383 -99.200 -91.000