============================================================================= 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 27 1.000 31.036 -9.174 -13.004 -99.200 -91.000 TYR 33 0.840 22.021 -14.063 -6.462 -99.200 -91.000 HIS 35 0.900 26.009 -10.518 -2.043 -99.200 -91.000 TRP 36 1.040 26.835 -1.956 -2.234 -99.200 -91.000 TRP6 36 1.020 28.709 -0.571 -2.639 -99.200 -91.000 TRP 47 1.040 25.523 -9.604 2.831 -99.200 -91.000 TRP6 47 1.020 23.303 -9.851 3.620 -99.200 -91.000 TYR 60 0.840 18.096 -3.976 1.951 -99.200 -91.000 PHE 64 1.000 24.495 -2.961 8.210 -99.200 -91.000 TYR 80 0.840 23.760 3.041 -8.887 -99.200 -91.000 HIS 82 0.900 20.052 6.755 0.041 -99.200 -91.000 TYR 93 0.840 29.968 1.604 4.129 -99.200 -91.000 TYR 94 0.840 36.696 -3.512 1.303 -99.200 -91.000 TYR 101 0.840 32.765 -14.643 -16.888 -99.200 -91.000 TYR 102 0.840 33.593 -24.740 -14.015 -99.200 -91.000 HIS 104 0.900 39.218 -15.763 -10.184 -99.200 -91.000 TYR 107 0.840 36.147 -11.199 -10.446 -99.200 -91.000 TRP 108 1.040 35.517 -9.413 -1.919 -99.200 -91.000 TRP6 108 1.020 34.983 -8.695 0.271 -99.200 -91.000 TYR 127 0.840 53.457 22.002 17.820 -99.200 -91.000 TYR 150 0.840 46.129 14.830 11.054 -99.200 -91.000 PHE 151 1.000 37.492 15.864 9.890 -99.200 -91.000 TRP 159 1.040 61.266 11.473 9.426 -99.200 -91.000 TRP6 159 1.020 61.730 13.277 10.887 -99.200 -91.000 HIS 169 0.900 59.927 2.381 13.818 -99.200 -91.000 PHE 171 1.000 55.317 5.419 16.523 -99.200 -91.000 TYR 180 0.840 41.477 11.439 12.261 -99.200 -91.000 TRP 193 1.040 70.434 15.869 13.191 -99.200 -91.000 TRP6 193 1.020 70.345 16.287 15.522 -99.200 -91.000 HIS 204 0.900 44.919 18.072 6.591 -99.200 -91.000