============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 19 0.840 10.479 -4.473 89.558 -99.200 -91.000 HIS 23 0.900 9.121 0.123 87.254 -99.200 -91.000 PHE 32 1.000 8.250 8.876 80.168 -99.200 -91.000 PHE 41 1.000 7.684 4.660 90.060 -99.200 -91.000 TRP 47 1.040 10.803 -2.733 79.213 -99.200 -91.000 TRP6 47 1.020 12.696 -3.958 78.472 -99.200 -91.000 PHE 57 1.000 11.293 -10.401 73.624 -99.200 -91.000 HIS 67 0.900 13.731 0.735 52.897 -99.200 -91.000 PHE 68 1.000 13.145 0.091 61.698 -99.200 -91.000 HIS 79 0.900 15.360 5.210 91.149 -99.200 -91.000 TRP 82 1.040 24.329 2.405 82.731 -99.200 -91.000 TRP6 82 1.020 24.360 3.829 84.637 -99.200 -91.000 TYR 86 0.840 21.732 -2.073 71.556 -99.200 -91.000 TYR 90 0.840 17.413 -7.318 60.084 -99.200 -91.000 TRP 97 1.040 11.571 -12.618 63.910 -99.200 -91.000 TRP6 97 1.020 11.741 -10.472 64.885 -99.200 -91.000 TYR 100 0.840 23.283 -4.397 62.784 -99.200 -91.000 PHE 120 1.000 20.650 0.083 62.624 -99.200 -91.000 HIS 132 0.900 16.275 -10.287 71.420 -99.200 -91.000 TYR 136 0.840 21.476 -7.023 83.573 -99.200 -91.000 HIS 139 0.900 15.588 -4.165 86.749 -99.200 -91.000 TRP 144 1.040 13.260 1.665 72.463 -99.200 -91.000 TRP6 144 1.020 13.355 -0.053 70.841 -99.200 -91.000 TYR 147 0.840 16.359 8.526 65.455 -99.200 -91.000 TYR 154 0.840 8.934 6.253 45.199 -99.200 -91.000 HIS 183 0.900 -15.909 12.142 31.327 -99.200 -91.000 PHE 186 1.000 -10.774 8.100 36.988 -99.200 -91.000 PHE 190 1.000 -8.644 7.445 41.391 -99.200 -91.000 HIS 206 0.900 -6.977 1.631 4.011 -99.200 -91.000 TRP 214 1.040 -2.359 3.898 15.888 -99.200 -91.000 TRP6 214 1.020 -1.784 3.691 18.176 -99.200 -91.000 PHE 226 1.000 -9.373 8.540 31.323 -99.200 -91.000 PHE 230 1.000 -10.220 6.634 21.669 -99.200 -91.000 TRP 233 1.040 -1.134 13.437 12.167 -99.200 -91.000 TRP6 233 1.020 -1.045 11.870 13.949 -99.200 -91.000 TYR 239 0.840 -14.649 -0.411 11.275 -99.200 -91.000 PHE 243 1.000 -5.290 4.405 23.112 -99.200 -91.000 TYR 245 0.840 -9.285 3.841 32.892 -99.200 -91.000 PHE 250 1.000 1.535 8.646 41.781 -99.200 -91.000