============================================================================= 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. PHE 19 1.000 57.271 94.057 32.815 -99.200 -91.000 TRP 32 1.040 60.662 96.118 34.914 -99.200 -91.000 TRP6 32 1.020 62.038 94.182 34.939 -99.200 -91.000 HIS 44 0.900 48.990 101.513 21.511 -99.200 -91.000 HIS 55 0.900 64.598 102.037 28.942 -99.200 -91.000 TYR 60 0.840 69.221 98.584 35.619 -99.200 -91.000 PHE 66 1.000 67.381 88.086 30.947 -99.200 -91.000 TYR 87 0.840 34.581 90.724 25.497 -99.200 -91.000 TRP 91 1.040 44.431 92.108 24.426 -99.200 -91.000 TRP6 91 1.020 45.907 90.721 25.630 -99.200 -91.000 PHE 109 1.000 55.522 84.838 26.297 -99.200 -91.000 TRP 124 1.040 59.901 76.792 42.541 -99.200 -91.000 TRP6 124 1.020 60.708 78.438 41.034 -99.200 -91.000 PHE 136 1.000 46.555 81.455 44.705 -99.200 -91.000 HIS 155 0.900 47.013 74.405 31.637 -99.200 -91.000 HIS 166 0.900 33.056 83.260 37.251 -99.200 -91.000 PHE 174 1.000 23.461 88.499 46.332 -99.200 -91.000 HIS 199 0.900 21.026 92.539 48.656 -99.200 -91.000 PHE 204 1.000 23.132 93.152 63.864 -99.200 -91.000 PHE 226 1.000 36.677 87.871 56.443 -99.200 -91.000 PHE 228 1.000 34.104 97.803 61.445 -99.200 -91.000 HIS 234 0.900 27.599 90.683 69.086 -99.200 -91.000 PHE 235 1.000 25.557 93.559 59.047 -99.200 -91.000 PHE 244 1.000 26.533 77.609 53.852 -99.200 -91.000 TYR 245 0.840 26.819 81.524 50.135 -99.200 -91.000 PHE 274 1.000 37.405 86.466 62.769 -99.200 -91.000 TYR 282 0.840 30.407 77.748 58.026 -99.200 -91.000 PHE 283 1.000 38.200 71.248 53.184 -99.200 -91.000 PHE 286 1.000 28.862 72.783 53.697 -99.200 -91.000 PHE 288 1.000 35.247 61.720 50.565 -99.200 -91.000 PHE 318 1.000 60.598 77.718 27.052 -99.200 -91.000