============================================================================= 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. TYR 10 0.840 -106.354 -52.273 21.083 -99.200 -91.000 TYR 25 0.840 -95.743 -39.669 6.124 -99.200 -91.000 PHE 26 1.000 -93.523 -44.062 -3.182 -99.200 -91.000 HIS 28 0.900 -99.467 -35.816 1.226 -99.200 -91.000 PHE 32 1.000 -94.572 -32.322 -0.531 -99.200 -91.000 TRP 35 1.040 -96.327 -29.557 -7.454 -99.200 -91.000 TRP6 35 1.020 -97.506 -29.777 -5.413 -99.200 -91.000 TYR 45 0.840 -88.230 -43.174 -1.065 -99.200 -91.000 HIS 46 0.900 -86.111 -41.533 6.679 -99.200 -91.000 HIS 54 0.900 -92.927 -47.222 12.299 -99.200 -91.000 TYR 58 0.840 -97.897 -52.137 14.065 -99.200 -91.000 PHE 64 1.000 -94.030 -65.448 18.363 -99.200 -91.000 TYR 107 0.840 -106.237 -55.623 25.558 -99.200 -91.000 HIS 112 0.900 -99.870 -59.771 32.917 -99.200 -91.000 TYR 114 0.840 -95.733 -57.339 30.657 -99.200 -91.000 HIS 130 0.900 -92.466 -41.035 11.064 -99.200 -91.000 TRP 133 1.040 -89.460 -33.023 8.894 -99.200 -91.000 TRP6 133 1.020 -90.970 -33.239 7.078 -99.200 -91.000 TYR 149 0.840 -91.683 -25.011 3.959 -99.200 -91.000