============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 3.084 29.986 35.456 -99.200 -91.000 TRP 15 1.040 6.773 23.341 20.228 -99.200 -91.000 TRP6 15 1.020 5.960 21.589 18.837 -99.200 -91.000 HIS 16 0.900 9.524 27.950 23.235 -99.200 -91.000 TYR 24 0.840 18.247 35.572 13.546 -99.200 -91.000 PHE 51 1.000 1.470 45.027 31.590 -99.200 -91.000 HIS 53 0.900 -6.272 48.189 37.932 -99.200 -91.000 PHE 56 1.000 -4.924 48.587 27.607 -99.200 -91.000 HIS 59 0.900 -9.750 55.378 17.268 -99.200 -91.000 HIS 61 0.900 -9.182 48.390 19.091 -99.200 -91.000 PHE 67 1.000 1.818 57.732 12.017 -99.200 -91.000 TYR 88 0.840 -2.288 21.875 32.447 -99.200 -91.000 TRP 100 1.040 7.493 45.120 16.679 -99.200 -91.000 TRP6 100 1.020 7.261 43.776 18.633 -99.200 -91.000 HIS 110 0.900 14.311 51.785 14.500 -99.200 -91.000 TYR 115 0.840 12.264 47.331 0.968 -99.200 -91.000 PHE 123 1.000 0.301 50.286 9.204 -99.200 -91.000 TYR 135 0.840 -12.275 34.075 21.485 -99.200 -91.000 TYR 136 0.840 -4.998 38.064 19.331 -99.200 -91.000 PHE 138 1.000 -3.698 43.514 18.163 -99.200 -91.000 TYR 146 0.840 11.096 43.246 7.388 -99.200 -91.000 TRP 148 1.040 16.173 38.963 6.567 -99.200 -91.000 TRP6 148 1.020 17.184 37.893 8.420 -99.200 -91.000 TRP 155 1.040 13.656 39.013 -0.761 -99.200 -91.000 TRP6 155 1.020 12.592 41.108 -1.079 -99.200 -91.000 HIS 159 0.900 7.978 39.748 9.872 -99.200 -91.000 HIS 161 0.900 8.587 41.473 14.446 -99.200 -91.000 PHE 162 1.000 0.258 38.943 17.288 -99.200 -91.000 TYR 178 0.840 6.611 33.806 10.446 -99.200 -91.000 PHE 179 1.000 -0.399 37.900 7.574 -99.200 -91.000 TYR 220 0.840 -4.917 36.170 6.702 -99.200 -91.000 PHE 222 1.000 -0.245 33.913 15.994 -99.200 -91.000 HIS 233 0.900 1.040 18.342 42.192 -99.200 -91.000 PHE 234 1.000 0.356 15.277 47.023 -99.200 -91.000