============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 25 0.840 -66.470 -1.518 17.276 -99.200 -91.000 PHE 37 1.000 -45.490 9.176 31.073 -99.200 -91.000 HIS 48 0.900 -65.756 -1.900 37.804 -99.200 -91.000 HIS 50 0.900 -64.764 -1.554 28.409 -99.200 -91.000 HIS 53 0.900 -62.979 -6.005 25.688 -99.200 -91.000 PHE 71 1.000 -47.648 -7.432 34.214 -99.200 -91.000 TRP 77 1.040 -51.104 -9.264 26.533 -99.200 -91.000 TRP6 77 1.020 -51.755 -9.010 24.283 -99.200 -91.000 HIS 85 0.900 -28.368 -3.521 30.721 -99.200 -91.000 TYR 108 0.840 -41.136 3.702 19.521 -99.200 -91.000 TRP 111 1.040 -35.349 -1.965 15.595 -99.200 -91.000 TRP6 111 1.020 -35.510 -4.103 14.612 -99.200 -91.000 TRP 118 1.040 -35.636 -7.668 22.767 -99.200 -91.000 TRP6 118 1.020 -36.386 -6.630 20.779 -99.200 -91.000 TYR 128 0.840 -41.507 -3.116 12.007 -99.200 -91.000 HIS 129 0.900 -45.078 1.939 17.079 -99.200 -91.000 TRP 141 1.040 -47.955 -0.150 6.400 -99.200 -91.000 TRP6 141 1.020 -46.773 -0.812 8.340 -99.200 -91.000 TYR 170 0.840 -52.225 -5.573 -0.545 -99.200 -91.000 PHE 172 1.000 -49.306 -4.970 7.132 -99.200 -91.000 PHE 180 1.000 -53.068 -6.546 11.057 -99.200 -91.000 PHE 205 1.000 -55.220 -11.173 2.246 -99.200 -91.000 TRP 206 1.040 -52.698 -13.689 9.366 -99.200 -91.000 TRP6 206 1.020 -52.919 -11.552 8.388 -99.200 -91.000