============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 3 1.000 12.196 12.308 9.902 -99.200 -91.000 TRP 9 1.040 7.733 5.394 1.548 -99.200 -91.000 TRP6 9 1.020 8.185 4.135 3.489 -99.200 -91.000 TYR 16 0.840 2.302 3.049 1.415 -99.200 -91.000 PHE 28 1.000 2.099 -10.482 13.430 -99.200 -91.000 HIS 31 0.900 11.486 -9.934 16.399 -99.200 -91.000 PHE 38 1.000 -0.277 -6.207 15.625 -99.200 -91.000 PHE 41 1.000 -3.835 -8.949 12.012 -99.200 -91.000 HIS 58 0.900 -2.694 -2.810 11.713 -99.200 -91.000 HIS 76 0.900 8.626 15.013 11.366 -99.200 -91.000 HIS 87 0.900 0.306 2.037 18.202 -99.200 -91.000 HIS 91 0.900 -4.037 0.077 19.405 -99.200 -91.000 PHE 98 1.000 5.779 1.271 19.205 -99.200 -91.000 TYR 138 0.840 4.159 3.686 24.830 -99.200 -91.000 PHE 143 1.000 0.664 3.338 30.073 -99.200 -91.000