============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 1 1.000 2.565 -8.465 -6.715 -99.200 -91.000 PHE 7 1.000 16.809 -3.739 -2.128 -99.200 -91.000 TYR 9 0.840 21.135 -4.635 0.770 -99.200 -91.000 HIS 20 0.900 11.813 0.233 -10.594 -99.200 -91.000 TYR 22 0.840 7.169 1.683 -18.925 -99.200 -91.000 PHE 31 1.000 19.844 -12.456 -8.813 -99.200 -91.000 TYR 41 0.840 31.554 -0.361 -3.352 -99.200 -91.000 TYR 44 0.840 16.935 4.853 -1.265 -99.200 -91.000 PHE 48 1.000 12.261 4.922 -10.933 -99.200 -91.000 HIS 51 0.900 7.141 1.340 -12.577 -99.200 -91.000 TRP 68 1.040 8.052 6.887 -12.687 -99.200 -91.000 TRP6 68 1.020 7.482 6.227 -14.878 -99.200 -91.000 TRP 69 1.040 14.441 14.879 -12.911 -99.200 -91.000 TRP6 69 1.020 16.631 14.026 -12.636 -99.200 -91.000 HIS 78 0.900 18.087 8.005 2.158 -99.200 -91.000 TYR 83 0.840 26.531 5.631 2.420 -99.200 -91.000 PHE 87 1.000 31.196 5.271 -7.554 -99.200 -91.000 PHE 89 1.000 26.944 2.350 -11.302 -99.200 -91.000 PHE 97 1.000 13.774 8.712 -14.789 -99.200 -91.000 PHE 114 1.000 23.935 -1.439 -14.037 -99.200 -91.000 HIS 123 0.900 10.199 1.463 -27.831 -99.200 -91.000 HIS 124 0.900 11.553 -5.196 -30.764 -99.200 -91.000 PHE 129 1.000 2.567 -1.577 -19.522 -99.200 -91.000 TYR 132 0.840 4.699 -5.872 -15.517 -99.200 -91.000 TYR 135 0.840 4.388 -13.613 -14.515 -99.200 -91.000 TYR 152 0.840 -4.537 5.892 -19.307 -99.200 -91.000 PHE 163 1.000 13.094 12.983 -17.759 -99.200 -91.000 PHE 179 1.000 29.679 -0.549 -16.196 -99.200 -91.000 TYR 195 0.840 28.604 -0.466 -30.145 -99.200 -91.000 PHE 209 1.000 30.073 0.001 -25.300 -99.200 -91.000 HIS 210 0.900 33.229 -3.656 -19.168 -99.200 -91.000 TRP 211 1.040 27.761 -6.306 -27.118 -99.200 -91.000 TRP6 211 1.020 26.428 -4.457 -27.744 -99.200 -91.000 TYR 212 0.840 28.077 -7.030 -19.482 -99.200 -91.000 HIS 217 0.900 16.411 -4.330 -21.485 -99.200 -91.000 HIS 225 0.900 23.655 -12.628 -11.407 -99.200 -91.000 HIS 226 0.900 27.245 -14.893 -10.642 -99.200 -91.000 PHE 235 1.000 32.500 3.447 -13.572 -99.200 -91.000