============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 4 0.900 43.460 5.656 -0.160 -99.200 -91.000 PHE 17 1.000 32.018 -3.462 5.454 -99.200 -91.000 PHE 58 1.000 1.366 6.498 22.100 -99.200 -91.000 PHE 59 1.000 4.710 14.571 22.747 -99.200 -91.000 TRP 69 1.040 -15.691 2.997 17.903 -99.200 -91.000 TRP6 69 1.020 -16.827 4.977 18.334 -99.200 -91.000 TRP 75 1.040 -6.155 6.876 8.078 -99.200 -91.000 TRP6 75 1.020 -6.649 5.063 6.653 -99.200 -91.000 PHE 80 1.000 7.957 8.347 9.589 -99.200 -91.000 HIS 91 0.900 0.770 6.167 32.837 -99.200 -91.000 PHE 92 1.000 -5.365 6.784 29.061 -99.200 -91.000 PHE 99 1.000 -2.619 5.320 25.078 -99.200 -91.000 HIS 100 0.900 -3.231 -2.328 22.160 -99.200 -91.000 TRP 111 1.040 -8.947 3.941 22.344 -99.200 -91.000 TRP6 111 1.020 -7.125 5.247 23.110 -99.200 -91.000 TRP 112 1.040 -7.289 -2.389 19.365 -99.200 -91.000 TRP6 112 1.020 -9.351 -3.490 19.563 -99.200 -91.000 TYR 129 0.840 6.225 1.490 13.895 -99.200 -91.000 PHE 130 1.000 13.041 -3.948 14.727 -99.200 -91.000