============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 3 0.840 17.292 4.607 3.582 -99.200 -91.000 TRP 30 1.040 28.229 5.196 11.825 -99.200 -91.000 TRP6 30 1.020 27.072 5.834 9.855 -99.200 -91.000 HIS 47 0.900 1.311 1.363 -11.723 -99.200 -91.000 PHE 48 1.000 7.319 -1.280 -5.877 -99.200 -91.000 TRP 50 1.040 6.072 5.794 -1.269 -99.200 -91.000 TRP6 50 1.020 7.555 4.705 0.200 -99.200 -91.000 PHE 55 1.000 7.215 -4.564 -1.229 -99.200 -91.000 PHE 64 1.000 17.563 -1.027 -1.071 -99.200 -91.000 HIS 65 0.900 19.316 -2.253 -8.395 -99.200 -91.000 PHE 87 1.000 3.119 -11.298 -11.167 -99.200 -91.000 HIS 88 0.900 1.776 -4.825 -16.100 -99.200 -91.000 PHE 106 1.000 4.965 6.173 4.889 -99.200 -91.000