============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 5 1.000 1.950 -2.181 0.923 -99.200 -91.000 PHE 6 1.000 3.464 2.580 8.196 -99.200 -91.000 PHE 11 1.000 9.043 2.275 9.318 -99.200 -91.000 TYR 16 0.840 -4.950 -1.791 2.365 -99.200 -91.000 TYR 28 0.840 -7.435 -0.560 -0.277 -99.200 -91.000 PHE 29 1.000 -0.375 2.220 -0.594 -99.200 -91.000 TRP 42 1.040 4.659 -9.499 2.176 -99.200 -91.000 TRP6 42 1.020 2.340 -9.500 1.705 -99.200 -91.000 TYR 45 0.840 4.732 -7.355 -9.018 -99.200 -91.000 TYR 50 0.840 -0.496 -8.992 -8.823 -99.200 -91.000 HIS 53 0.900 11.291 -0.158 -12.928 -99.200 -91.000 TYR 55 0.840 10.374 -1.785 -6.595 -99.200 -91.000 PHE 56 1.000 12.457 -11.650 -1.704 -99.200 -91.000 TYR 62 0.840 12.267 -3.503 3.598 -99.200 -91.000 TYR 65 0.840 11.745 6.192 -3.470 -99.200 -91.000 TRP 68 1.040 10.950 -0.697 -1.839 -99.200 -91.000 TRP6 68 1.020 9.764 0.493 -0.166 -99.200 -91.000 PHE 71 1.000 14.717 0.807 -10.441 -99.200 -91.000 HIS 83 0.900 9.499 -21.249 3.484 -99.200 -91.000 HIS 87 0.900 13.266 -22.139 -2.788 -99.200 -91.000 TYR 92 0.840 18.172 -25.485 -19.692 -99.200 -91.000 HIS 97 0.900 13.400 -24.728 -21.330 -99.200 -91.000 PHE 115 1.000 24.800 -20.904 -17.263 -99.200 -91.000 HIS 116 0.900 32.463 -21.072 -15.746 -99.200 -91.000 TRP 130 1.040 14.436 -20.494 -7.502 -99.200 -91.000 TRP6 130 1.020 16.691 -20.820 -6.842 -99.200 -91.000 TYR 133 0.840 17.820 -9.831 -6.440 -99.200 -91.000 TYR 138 0.840 21.810 -12.291 -3.594 -99.200 -91.000 TYR 143 0.840 13.584 -8.432 -14.428 -99.200 -91.000 TYR 150 0.840 9.882 -18.246 -15.757 -99.200 -91.000 PHE 153 1.000 14.841 -10.862 -23.545 -99.200 -91.000 TRP 156 1.040 13.605 -13.298 -16.840 -99.200 -91.000 TRP6 156 1.020 14.529 -15.070 -18.124 -99.200 -91.000 TYR 173 0.840 10.965 -18.278 10.728 -99.200 -91.000