============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 6 0.900 16.423 51.041 38.191 -99.200 -91.000 PHE 12 1.000 18.968 46.334 53.537 -99.200 -91.000 TYR 32 0.840 27.827 48.249 57.383 -99.200 -91.000 PHE 48 1.000 23.433 33.438 50.693 -99.200 -91.000 PHE 53 1.000 34.230 47.149 54.287 -99.200 -91.000 HIS 77 0.900 23.952 34.728 43.124 -99.200 -91.000 HIS 93 0.900 37.030 48.476 32.635 -99.200 -91.000 PHE 116 1.000 36.476 30.920 40.665 -99.200 -91.000 TRP 121 1.040 35.460 37.811 34.421 -99.200 -91.000 TRP6 121 1.020 37.528 36.878 33.681 -99.200 -91.000 PHE 141 1.000 20.034 29.895 50.053 -99.200 -91.000 TRP 150 1.040 36.327 27.481 45.475 -99.200 -91.000 TRP6 150 1.020 36.211 29.523 46.667 -99.200 -91.000 TYR 177 0.840 16.306 32.655 53.643 -99.200 -91.000 TYR 185 0.840 1.787 36.115 60.739 -99.200 -91.000