============================================================================= 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 5 1.000 -10.327 -5.989 33.692 -99.200 -91.000 HIS 15 0.900 1.774 -17.264 30.977 -99.200 -91.000 HIS 61 0.900 11.291 2.739 30.711 -99.200 -91.000 PHE 68 1.000 19.603 -3.227 38.888 -99.200 -91.000 HIS 82 0.900 1.556 -2.146 49.500 -99.200 -91.000 PHE 84 1.000 3.427 -3.393 43.203 -99.200 -91.000 PHE 87 1.000 5.631 -3.861 30.940 -99.200 -91.000 PHE 92 1.000 14.399 -8.212 26.897 -99.200 -91.000 TYR 103 0.840 13.322 -12.522 30.062 -99.200 -91.000 PHE 108 1.000 20.212 -2.956 34.057 -99.200 -91.000 TRP 113 1.040 14.953 -7.776 38.420 -99.200 -91.000 TRP6 113 1.020 13.751 -6.104 37.227 -99.200 -91.000 HIS 120 0.900 9.596 -2.030 19.745 -99.200 -91.000 HIS 139 0.900 6.486 -21.858 36.333 -99.200 -91.000 TYR 159 0.840 5.786 -3.451 13.571 -99.200 -91.000 HIS 170 0.900 5.895 -17.486 19.034 -99.200 -91.000 PHE 173 1.000 8.078 -15.459 27.327 -99.200 -91.000 PHE 177 1.000 -1.544 -8.637 21.404 -99.200 -91.000 PHE 189 1.000 -3.271 -13.844 23.299 -99.200 -91.000 HIS 191 0.900 -6.046 -6.182 23.692 -99.200 -91.000 TYR 209 0.840 0.760 12.208 27.512 -99.200 -91.000 TYR 243 0.840 -3.950 9.748 35.329 -99.200 -91.000 TRP 248 1.040 -13.173 -0.756 38.810 -99.200 -91.000 TRP6 248 1.020 -12.068 -2.800 38.329 -99.200 -91.000 TYR 251 0.840 -13.673 -4.081 33.942 -99.200 -91.000