============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 26 0.840 15.398 19.214 16.015 -99.200 -91.000 PHE 29 1.000 22.385 21.635 24.818 -99.200 -91.000 TYR 37 0.840 21.572 14.463 33.845 -99.200 -91.000 PHE 42 1.000 23.409 20.371 15.536 -99.200 -91.000 TYR 43 0.840 15.103 18.791 10.285 -99.200 -91.000 PHE 45 1.000 17.423 22.578 5.808 -99.200 -91.000 HIS 48 0.900 17.991 19.230 -5.748 -99.200 -91.000 PHE 54 1.000 26.799 15.026 3.136 -99.200 -91.000 TRP 59 1.040 29.817 16.832 7.705 -99.200 -91.000 TRP6 59 1.020 28.268 17.315 9.435 -99.200 -91.000 PHE 61 1.000 35.720 8.752 12.532 -99.200 -91.000 TYR 66 0.840 29.775 7.247 13.460 -99.200 -91.000 TYR 70 0.840 18.799 3.761 15.000 -99.200 -91.000 TYR 74 0.840 9.695 9.672 14.169 -99.200 -91.000 PHE 81 1.000 28.536 12.568 17.719 -99.200 -91.000 PHE 89 1.000 24.329 15.401 13.765 -99.200 -91.000 HIS 90 0.900 15.913 15.318 11.858 -99.200 -91.000 PHE 91 1.000 23.336 14.479 7.573 -99.200 -91.000 PHE 103 1.000 10.856 21.754 10.955 -99.200 -91.000 TYR 108 0.840 7.205 29.925 23.231 -99.200 -91.000 TYR 118 0.840 27.153 28.191 6.455 -99.200 -91.000 TYR 127 0.840 12.272 28.943 3.888 -99.200 -91.000 PHE 146 1.000 -7.461 12.128 17.973 -99.200 -91.000 PHE 151 1.000 -8.923 7.309 29.067 -99.200 -91.000 TRP 155 1.040 -9.934 2.530 30.537 -99.200 -91.000 TRP6 155 1.020 -11.861 1.220 30.950 -99.200 -91.000 TYR 167 0.840 -2.772 -11.060 32.746 -99.200 -91.000 TRP 195 1.040 -1.061 18.763 21.751 -99.200 -91.000 TRP6 195 1.020 -2.796 18.906 23.347 -99.200 -91.000 TYR 211 0.840 4.489 13.435 38.698 -99.200 -91.000 PHE 214 1.000 0.920 9.916 33.911 -99.200 -91.000 PHE 227 1.000 -8.582 -6.662 35.756 -99.200 -91.000 TYR 230 0.840 -5.918 -0.901 31.051 -99.200 -91.000 HIS 243 0.900 -12.011 20.500 36.906 -99.200 -91.000 TYR 248 0.840 -12.429 22.961 25.403 -99.200 -91.000 HIS 254 0.900 -20.193 10.945 35.449 -99.200 -91.000 TYR 263 0.840 -16.618 -4.356 28.949 -99.200 -91.000