============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 111.368 -11.783 20.176 -99.200 -91.000 PHE 29 1.000 117.245 -11.776 17.702 -99.200 -91.000 PHE 32 1.000 110.713 -17.098 20.985 -99.200 -91.000 HIS 35 0.900 110.049 -18.329 9.820 -99.200 -91.000 TRP 36 1.040 115.086 -11.524 7.062 -99.200 -91.000 TRP6 36 1.020 114.356 -9.260 7.090 -99.200 -91.000 TRP 47 1.040 110.014 -19.021 4.777 -99.200 -91.000 TRP6 47 1.020 111.653 -20.400 3.791 -99.200 -91.000 TYR 50 0.840 113.860 -21.320 11.052 -99.200 -91.000 TYR 58 0.840 115.377 -25.112 7.137 -99.200 -91.000 TYR 59 0.840 119.855 -18.802 2.807 -99.200 -91.000 PHE 67 1.000 117.417 -12.146 -1.500 -99.200 -91.000 PHE 79 1.000 122.375 -7.523 11.142 -99.200 -91.000 TYR 93 0.840 112.630 -8.198 0.479 -99.200 -91.000 TYR 94 0.840 105.856 -6.864 5.429 -99.200 -91.000 TYR 100 0.840 105.410 -16.819 10.007 -99.200 -91.000 TYR 101 0.840 103.008 -12.756 20.169 -99.200 -91.000 TYR 107 0.840 104.677 6.308 17.727 -99.200 -91.000 TRP 108 1.040 109.042 2.914 10.404 -99.200 -91.000 TRP6 108 1.020 110.812 3.490 11.865 -99.200 -91.000 TYR 126 0.840 102.891 21.087 -7.730 -99.200 -91.000 TYR 149 0.840 106.296 9.787 -4.980 -99.200 -91.000 PHE 150 1.000 111.908 4.898 -9.187 -99.200 -91.000 TRP 158 1.040 96.527 15.648 5.421 -99.200 -91.000 TRP6 158 1.020 96.334 17.479 3.933 -99.200 -91.000 HIS 168 0.900 89.166 9.042 2.709 -99.200 -91.000 PHE 170 1.000 92.282 9.412 -2.462 -99.200 -91.000 TYR 179 0.840 106.221 4.935 -7.621 -99.200 -91.000 TRP 192 1.040 91.681 25.749 5.271 -99.200 -91.000 TRP6 192 1.020 90.822 26.479 3.199 -99.200 -91.000 HIS 203 0.900 111.378 10.506 -2.624 -99.200 -91.000