============================================================================= 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. TYR 40 0.840 61.095 55.551 39.116 -99.200 -91.000 TRP 41 1.040 64.443 56.053 34.710 -99.200 -91.000 TRP6 41 1.020 65.165 57.208 36.658 -99.200 -91.000 TYR 42 0.840 60.225 57.826 29.212 -99.200 -91.000 PHE 43 1.000 53.857 58.564 31.629 -99.200 -91.000 HIS 59 0.900 36.404 68.449 21.223 -99.200 -91.000 TRP 71 1.040 23.578 80.174 17.653 -99.200 -91.000 TRP6 71 1.020 23.000 78.463 19.190 -99.200 -91.000 HIS 72 0.900 20.627 74.799 16.426 -99.200 -91.000 TRP 74 1.040 31.556 75.448 16.641 -99.200 -91.000 TRP6 74 1.020 31.306 75.758 18.990 -99.200 -91.000 PHE 75 1.000 25.913 73.708 22.282 -99.200 -91.000 PHE 82 1.000 33.676 65.692 25.503 -99.200 -91.000 HIS 96 0.900 37.308 63.524 29.254 -99.200 -91.000 PHE 113 1.000 30.684 80.669 16.762 -99.200 -91.000 HIS 123 0.900 20.215 81.597 29.702 -99.200 -91.000 PHE 132 1.000 23.148 63.740 25.946 -99.200 -91.000 HIS 145 0.900 30.655 70.409 40.584 -99.200 -91.000 PHE 149 1.000 20.543 67.789 38.576 -99.200 -91.000 HIS 163 0.900 9.874 67.460 20.174 -99.200 -91.000