============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 9 1.000 63.730 11.136 4.220 -99.200 -91.000 TRP 14 1.040 69.030 21.492 1.286 -99.200 -91.000 TRP6 14 1.020 67.999 20.460 3.107 -99.200 -91.000 TYR 19 0.840 61.853 34.045 2.380 -99.200 -91.000 PHE 20 1.000 65.420 39.207 7.531 -99.200 -91.000 TYR 37 0.840 60.477 8.372 0.675 -99.200 -91.000 HIS 44 0.900 62.729 8.011 -7.498 -99.200 -91.000 TYR 49 0.840 60.896 20.236 4.029 -99.200 -91.000 TYR 52 0.840 68.291 27.744 8.245 -99.200 -91.000 PHE 60 1.000 62.150 20.728 8.617 -99.200 -91.000 PHE 63 1.000 51.643 21.919 1.772 -99.200 -91.000 HIS 65 0.900 53.409 15.822 -6.374 -99.200 -91.000 PHE 66 1.000 56.029 7.933 -2.438 -99.200 -91.000 PHE 77 1.000 51.846 9.303 -0.143 -99.200 -91.000 HIS 81 0.900 57.279 16.317 5.681 -99.200 -91.000 PHE 85 1.000 69.623 21.831 11.481 -99.200 -91.000 PHE 94 1.000 55.528 11.957 7.652 -99.200 -91.000 PHE 105 1.000 49.983 5.120 -2.483 -99.200 -91.000 HIS 107 0.900 38.119 7.346 -1.732 -99.200 -91.000 HIS 113 0.900 57.881 8.999 13.900 -99.200 -91.000 PHE 114 1.000 61.980 14.173 8.037 -99.200 -91.000 TYR 124 0.840 60.077 5.935 5.443 -99.200 -91.000