============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 27 0.840 91.001 86.515 -10.147 -99.200 -91.000 PHE 29 1.000 85.481 86.987 -14.544 -99.200 -91.000 TYR 32 0.840 92.492 81.584 -10.431 -99.200 -91.000 TYR 33 0.840 85.565 76.262 -13.558 -99.200 -91.000 TRP 36 1.040 77.750 83.100 -7.100 -99.200 -91.000 TRP6 36 1.020 77.550 85.088 -5.863 -99.200 -91.000 TRP 47 1.040 79.095 74.460 -5.222 -99.200 -91.000 TRP6 47 1.020 78.194 72.855 -6.665 -99.200 -91.000 TRP 50 1.040 81.204 75.252 -11.944 -99.200 -91.000 TRP6 50 1.020 82.013 73.203 -11.110 -99.200 -91.000 TYR 52 0.840 85.981 78.715 -16.700 -99.200 -91.000 TYR 58 0.840 72.562 76.972 -12.276 -99.200 -91.000 PHE 62 1.000 70.918 75.884 -2.819 -99.200 -91.000 TYR 78 0.840 75.960 90.733 -12.742 -99.200 -91.000 HIS 80 0.900 67.029 86.596 -10.979 -99.200 -91.000 TYR 91 0.840 72.297 83.720 -0.170 -99.200 -91.000 PHE 92 1.000 80.435 84.138 3.190 -99.200 -91.000 TRP 96 1.040 87.515 75.065 -6.950 -99.200 -91.000 TRP6 96 1.020 86.372 73.758 -8.585 -99.200 -91.000 TYR 98 0.840 87.799 69.075 -10.184 -99.200 -91.000 PHE 102 1.000 85.477 76.542 -2.720 -99.200 -91.000 TYR 104 0.840 93.329 85.647 -2.591 -99.200 -91.000 TRP 105 1.040 86.635 82.000 0.813 -99.200 -91.000 TRP6 105 1.020 84.701 80.727 1.226 -99.200 -91.000 TYR 124 0.840 58.381 99.434 26.209 -99.200 -91.000 TYR 147 0.840 64.864 96.346 16.517 -99.200 -91.000 PHE 148 1.000 61.820 94.228 8.701 -99.200 -91.000 TRP 156 1.040 73.893 100.787 28.273 -99.200 -91.000 TRP6 156 1.020 71.997 100.962 29.632 -99.200 -91.000 HIS 166 0.900 77.437 90.935 29.504 -99.200 -91.000 PHE 168 1.000 71.963 89.698 26.761 -99.200 -91.000 TYR 177 0.840 64.770 91.650 13.381 -99.200 -91.000 TRP 190 1.040 70.542 104.075 38.688 -99.200 -91.000 TRP6 190 1.020 69.050 102.641 39.818 -99.200 -91.000 HIS 201 0.900 64.938 101.159 13.392 -99.200 -91.000