============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 8 0.900 17.695 -6.578 33.760 -99.200 -91.000 TYR 16 0.840 23.037 3.749 24.485 -99.200 -91.000 TRP 22 1.040 17.690 3.324 16.571 -99.200 -91.000 TRP6 22 1.020 17.141 2.331 14.462 -99.200 -91.000 HIS 23 0.900 21.735 0.061 23.090 -99.200 -91.000 HIS 30 0.900 12.791 -10.397 21.907 -99.200 -91.000 PHE 47 1.000 5.243 9.786 19.924 -99.200 -91.000 PHE 68 1.000 1.880 13.512 23.151 -99.200 -91.000 HIS 69 0.900 -3.195 15.139 18.002 -99.200 -91.000 HIS 70 0.900 3.205 12.461 16.054 -99.200 -91.000 HIS 88 0.900 0.842 -9.882 24.141 -99.200 -91.000 PHE 90 1.000 4.102 -7.219 23.486 -99.200 -91.000 PHE 92 1.000 10.446 0.252 24.471 -99.200 -91.000 TYR 98 0.840 10.238 -0.998 32.147 -99.200 -91.000 TYR 109 0.840 7.695 -11.448 25.655 -99.200 -91.000 PHE 117 1.000 22.982 -2.046 28.905 -99.200 -91.000 PHE 122 1.000 19.967 1.070 39.432 -99.200 -91.000 PHE 123 1.000 12.216 -4.917 34.813 -99.200 -91.000 TYR 126 0.840 13.803 -10.094 36.915 -99.200 -91.000 PHE 128 1.000 13.987 -18.631 43.971 -99.200 -91.000 TRP 131 1.040 8.346 -12.386 38.341 -99.200 -91.000 TRP6 131 1.020 6.696 -11.469 36.856 -99.200 -91.000 HIS 149 0.900 22.273 -10.505 22.752 -99.200 -91.000 PHE 151 1.000 17.089 -11.612 22.540 -99.200 -91.000 HIS 153 0.900 7.272 -15.279 27.782 -99.200 -91.000