============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 11 1.000 22.511 76.353 24.617 -99.200 -91.000 HIS 15 0.900 20.329 74.397 32.767 -99.200 -91.000 TYR 16 0.840 23.558 80.682 37.293 -99.200 -91.000 HIS 18 0.900 22.138 74.781 29.369 -99.200 -91.000 TYR 26 0.840 38.210 79.656 29.229 -99.200 -91.000 HIS 27 0.900 38.779 78.639 34.152 -99.200 -91.000 TRP 35 1.040 33.529 79.545 19.261 -99.200 -91.000 TRP6 35 1.020 33.950 78.869 17.033 -99.200 -91.000 PHE 36 1.000 27.560 78.757 26.249 -99.200 -91.000 HIS 44 0.900 18.076 65.595 20.645 -99.200 -91.000 HIS 69 0.900 37.656 83.764 29.631 -99.200 -91.000 PHE 70 1.000 31.281 80.921 29.282 -99.200 -91.000 TYR 84 0.840 20.017 64.962 11.646 -99.200 -91.000 TYR 86 0.840 29.299 64.457 8.867 -99.200 -91.000 TYR 96 0.840 35.834 79.337 12.300 -99.200 -91.000 PHE 101 1.000 35.866 73.682 15.646 -99.200 -91.000 HIS 102 0.900 39.286 69.910 22.769 -99.200 -91.000 PHE 103 1.000 29.038 69.328 19.985 -99.200 -91.000 TYR 112 0.840 19.470 60.581 22.040 -99.200 -91.000 TRP 116 1.040 24.523 62.351 19.352 -99.200 -91.000 TRP6 116 1.020 25.762 64.366 19.489 -99.200 -91.000 TYR 117 0.840 23.659 62.366 9.222 -99.200 -91.000 PHE 128 1.000 31.038 63.942 20.318 -99.200 -91.000 TYR 136 0.840 20.550 61.782 32.420 -99.200 -91.000 TYR 142 0.840 30.178 55.829 19.879 -99.200 -91.000 PHE 152 1.000 22.924 73.345 39.798 -99.200 -91.000 TYR 163 0.840 10.633 80.114 35.194 -99.200 -91.000 TYR 171 0.840 20.172 80.273 45.751 -99.200 -91.000 TYR 180 0.840 13.271 86.781 26.750 -99.200 -91.000 TYR 187 0.840 10.184 78.213 29.329 -99.200 -91.000