============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 30 0.840 2.591 -18.317 5.084 -99.200 -91.000 TYR 36 0.840 3.298 -13.616 2.189 -99.200 -91.000 TRP 39 1.040 14.342 -5.568 -1.238 -99.200 -91.000 TRP6 39 1.020 16.396 -5.277 -0.109 -99.200 -91.000 TYR 53 0.840 3.756 -5.931 -4.658 -99.200 -91.000 PHE 66 1.000 15.093 1.855 -6.961 -99.200 -91.000 PHE 75 1.000 14.815 -13.282 0.153 -99.200 -91.000 TYR 90 0.840 17.780 2.498 -1.045 -99.200 -91.000 TYR 91 0.840 15.086 0.994 7.063 -99.200 -91.000 HIS 97 0.900 9.400 -17.366 9.335 -99.200 -91.000 PHE 98 1.000 2.248 -11.530 14.739 -99.200 -91.000 TYR 100 0.840 3.587 -9.178 9.932 -99.200 -91.000 PHE 102 1.000 10.163 -2.763 9.105 -99.200 -91.000 PHE 122 1.000 28.149 33.904 10.910 -99.200 -91.000 PHE 139 1.000 26.142 28.923 10.370 -99.200 -91.000 PHE 143 1.000 31.497 19.276 5.213 -99.200 -91.000 TYR 144 0.840 31.345 13.253 -1.184 -99.200 -91.000 TRP 152 1.040 35.063 26.053 17.964 -99.200 -91.000 TRP6 152 1.020 34.477 28.163 17.061 -99.200 -91.000 TRP 167 1.040 29.098 16.731 10.972 -99.200 -91.000 TRP6 167 1.020 29.378 16.234 13.276 -99.200 -91.000 TYR 177 0.840 27.406 14.168 3.607 -99.200 -91.000 TYR 190 0.840 33.269 37.308 22.992 -99.200 -91.000 HIS 193 0.900 40.561 34.081 26.683 -99.200 -91.000 TYR 196 0.840 37.058 34.659 21.090 -99.200 -91.000 HIS 202 0.900 36.765 17.999 3.423 -99.200 -91.000 PHE 213 1.000 35.256 36.683 16.601 -99.200 -91.000