============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 12 0.900 29.630 9.394 15.303 -99.200 -91.000 TRP 19 1.040 29.578 9.672 10.642 -99.200 -91.000 TRP6 19 1.020 30.309 7.836 9.344 -99.200 -91.000 PHE 35 1.000 40.196 -3.006 -9.070 -99.200 -91.000 HIS 60 0.900 44.987 4.571 -7.913 -99.200 -91.000 TYR 75 0.840 24.485 7.777 -0.567 -99.200 -91.000 TYR 79 0.840 38.714 13.245 -3.540 -99.200 -91.000 TRP 91 1.040 32.093 -0.595 -4.241 -99.200 -91.000 TRP6 91 1.020 30.060 -1.290 -3.255 -99.200 -91.000 HIS 96 0.900 39.896 1.772 14.079 -99.200 -91.000 HIS 100 0.900 41.718 -12.126 18.411 -99.200 -91.000 TYR 111 0.840 27.842 -1.608 10.350 -99.200 -91.000 PHE 123 1.000 27.063 2.905 -0.987 -99.200 -91.000 PHE 127 1.000 27.138 6.183 -4.887 -99.200 -91.000 HIS 139 0.900 39.678 -7.182 -5.085 -99.200 -91.000 PHE 156 1.000 33.845 -8.881 8.459 -99.200 -91.000 HIS 158 0.900 37.546 -17.813 3.682 -99.200 -91.000 PHE 160 1.000 32.188 -8.310 2.582 -99.200 -91.000 HIS 189 0.900 53.713 0.944 5.331 -99.200 -91.000 TRP 197 1.040 53.531 -0.597 11.877 -99.200 -91.000 TRP6 197 1.020 51.307 -1.261 11.399 -99.200 -91.000 TRP 210 1.040 32.271 -16.207 -5.168 -99.200 -91.000 TRP6 210 1.020 32.170 -17.694 -3.340 -99.200 -91.000