============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 5 1.000 -4.416 49.002 8.794 -99.200 -91.000 PHE 13 1.000 -8.089 26.302 24.654 -99.200 -91.000 HIS 15 0.900 -8.744 33.568 17.532 -99.200 -91.000 PHE 23 1.000 -16.726 27.127 14.465 -99.200 -91.000 TYR 24 0.840 -17.545 28.143 8.890 -99.200 -91.000 TYR 27 0.840 -9.401 31.420 9.444 -99.200 -91.000 PHE 28 1.000 -16.087 34.810 7.535 -99.200 -91.000 PHE 33 1.000 -6.370 43.822 8.303 -99.200 -91.000 TRP 37 1.040 -8.165 50.471 6.060 -99.200 -91.000 TRP6 37 1.020 -10.105 50.476 4.719 -99.200 -91.000 PHE 38 1.000 -14.014 52.127 8.370 -99.200 -91.000 TRP 44 1.040 -16.151 57.969 11.357 -99.200 -91.000 TRP6 44 1.020 -17.702 57.152 9.757 -99.200 -91.000 PHE 46 1.000 -15.786 49.488 13.114 -99.200 -91.000 HIS 49 0.900 -20.522 51.183 14.867 -99.200 -91.000 HIS 62 0.900 -16.368 33.964 -3.269 -99.200 -91.000 PHE 65 1.000 -12.924 30.035 5.029 -99.200 -91.000 PHE 89 1.000 -16.282 50.555 3.207 -99.200 -91.000 PHE 95 1.000 -7.353 37.032 8.178 -99.200 -91.000 TYR 132 0.840 -5.091 52.394 2.757 -99.200 -91.000