============================================================================= 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. HIS 30 0.900 17.119 -5.698 27.588 -99.200 -91.000 TYR 34 0.840 22.888 -8.782 32.065 -99.200 -91.000 TYR 36 0.840 21.262 -2.998 30.262 -99.200 -91.000 HIS 38 0.900 25.537 1.500 33.201 -99.200 -91.000 TRP 39 1.040 24.887 5.097 40.922 -99.200 -91.000 TRP6 39 1.020 23.811 7.085 41.658 -99.200 -91.000 PHE 40 1.000 28.578 7.045 33.726 -99.200 -91.000 TYR 53 0.840 30.253 -3.137 35.463 -99.200 -91.000 PHE 66 1.000 33.094 6.006 45.146 -99.200 -91.000 PHE 75 1.000 17.927 2.172 39.929 -99.200 -91.000 PHE 79 1.000 30.337 9.001 47.965 -99.200 -91.000 TYR 90 0.840 30.447 11.496 43.523 -99.200 -91.000 TYR 91 0.840 26.664 14.521 36.152 -99.200 -91.000 HIS 95 0.900 24.358 1.663 28.171 -99.200 -91.000 TYR 98 0.840 19.950 3.313 21.628 -99.200 -91.000 PHE 100 1.000 22.164 4.556 25.206 -99.200 -91.000 PHE 102 1.000 24.765 10.737 30.884 -99.200 -91.000 PHE 122 1.000 47.742 40.808 43.597 -99.200 -91.000 PHE 139 1.000 44.316 36.575 42.503 -99.200 -91.000 PHE 143 1.000 35.938 31.941 49.933 -99.200 -91.000 TYR 144 0.840 33.441 24.931 54.625 -99.200 -91.000 TRP 152 1.040 35.702 45.251 43.406 -99.200 -91.000 TRP6 152 1.020 38.058 45.464 43.437 -99.200 -91.000 TRP 167 1.040 32.424 32.923 43.265 -99.200 -91.000 TRP6 167 1.020 31.141 34.063 41.542 -99.200 -91.000 TYR 177 0.840 33.777 25.831 48.502 -99.200 -91.000 TYR 190 0.840 44.528 53.054 38.794 -99.200 -91.000 HIS 193 0.900 37.216 58.389 40.714 -99.200 -91.000 TYR 196 0.840 41.004 52.878 42.338 -99.200 -91.000 HIS 202 0.900 33.873 33.283 54.860 -99.200 -91.000 PHE 213 1.000 45.191 49.932 44.528 -99.200 -91.000