============================================================================= 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. PHE 23 1.000 31.620 44.758 57.644 -99.200 -91.000 TYR 24 0.840 34.621 47.211 54.631 -99.200 -91.000 PHE 38 1.000 39.053 59.099 48.303 -99.200 -91.000 HIS 92 0.900 22.317 37.525 54.304 -99.200 -91.000 TYR 95 0.840 27.796 30.406 50.747 -99.200 -91.000 TYR 101 0.840 32.646 25.352 58.438 -99.200 -91.000 PHE 103 1.000 32.518 35.332 57.391 -99.200 -91.000 PHE 106 1.000 23.416 42.086 53.782 -99.200 -91.000 HIS 116 0.900 36.153 32.489 47.911 -99.200 -91.000 PHE 133 1.000 32.986 28.524 62.730 -99.200 -91.000 PHE 141 1.000 42.142 41.288 51.811 -99.200 -91.000 HIS 147 0.900 22.624 43.259 42.154 -99.200 -91.000 PHE 155 1.000 31.063 53.811 27.697 -99.200 -91.000 PHE 167 1.000 29.268 44.615 34.455 -99.200 -91.000 TRP 183 1.040 26.421 56.966 52.340 -99.200 -91.000 TRP6 183 1.020 24.446 57.490 53.521 -99.200 -91.000 PHE 189 1.000 38.480 49.549 35.543 -99.200 -91.000 PHE 203 1.000 35.633 54.728 29.069 -99.200 -91.000 TYR 208 0.840 37.284 61.841 26.878 -99.200 -91.000 PHE 209 1.000 40.221 66.131 34.537 -99.200 -91.000 PHE 216 1.000 43.587 61.515 36.943 -99.200 -91.000 PHE 217 1.000 39.987 58.443 29.417 -99.200 -91.000 TRP 228 1.040 42.144 56.888 38.795 -99.200 -91.000 TRP6 228 1.020 41.863 59.116 39.572 -99.200 -91.000 PHE 229 1.000 40.081 52.682 32.334 -99.200 -91.000