============================================================================= 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. PHE 11 1.000 81.956 26.009 53.475 -99.200 -91.000 PHE 32 1.000 74.122 9.730 37.381 -99.200 -91.000 TRP 43 1.040 83.206 18.343 38.635 -99.200 -91.000 TRP6 43 1.020 81.167 17.187 38.924 -99.200 -91.000 TRP 52 1.040 77.907 17.253 48.985 -99.200 -91.000 TRP6 52 1.020 77.416 16.335 51.101 -99.200 -91.000 HIS 54 0.900 71.369 16.430 47.428 -99.200 -91.000 PHE 62 1.000 69.733 7.896 37.189 -99.200 -91.000 PHE 71 1.000 79.627 9.955 43.873 -99.200 -91.000 PHE 73 1.000 72.519 4.374 50.160 -99.200 -91.000 HIS 74 0.900 75.874 13.159 54.469 -99.200 -91.000 HIS 75 0.900 69.303 11.237 56.539 -99.200 -91.000 TRP 86 1.040 83.103 13.034 51.822 -99.200 -91.000 TRP6 86 1.020 82.719 15.240 52.570 -99.200 -91.000