============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 8 1.040 9.107 -11.095 72.994 -99.200 -91.000 TRP6 8 1.020 8.193 -9.018 73.633 -99.200 -91.000 HIS 13 0.900 19.525 -9.131 82.314 -99.200 -91.000 TRP 15 1.040 9.946 -3.471 82.913 -99.200 -91.000 TRP6 15 1.020 9.935 -1.401 81.757 -99.200 -91.000 HIS 25 0.900 14.980 2.725 86.195 -99.200 -91.000 PHE 34 1.000 6.012 15.773 81.001 -99.200 -91.000 HIS 37 0.900 9.838 14.471 71.330 -99.200 -91.000 PHE 44 1.000 0.845 13.770 81.386 -99.200 -91.000 PHE 47 1.000 2.692 15.408 86.284 -99.200 -91.000 HIS 49 0.900 2.608 22.759 88.285 -99.200 -91.000 TRP 65 1.040 0.064 11.097 88.111 -99.200 -91.000 TRP6 65 1.020 -1.652 10.143 86.810 -99.200 -91.000 HIS 82 0.900 1.135 -14.200 72.909 -99.200 -91.000 HIS 83 0.900 0.877 -6.205 73.437 -99.200 -91.000 HIS 94 0.900 -3.250 6.619 77.865 -99.200 -91.000 HIS 98 0.900 -6.159 10.017 79.823 -99.200 -91.000 TYR 104 0.840 1.619 14.469 71.645 -99.200 -91.000 PHE 107 1.000 6.847 13.260 69.672 -99.200 -91.000 HIS 114 0.900 18.387 10.297 76.945 -99.200 -91.000 HIS 117 0.900 22.950 4.617 75.446 -99.200 -91.000 HIS 120 0.900 19.512 0.168 84.127 -99.200 -91.000 PHE 124 1.000 18.423 -0.084 76.339 -99.200 -91.000 PHE 139 1.000 2.425 0.688 74.223 -99.200 -91.000 TYR 147 0.840 -5.185 5.445 70.385 -99.200 -91.000 TYR 152 0.840 -12.690 7.391 69.437 -99.200 -91.000