============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 7 1.000 41.269 10.863 4.030 -99.200 -91.000 PHE 12 1.000 36.184 6.301 1.896 -99.200 -91.000 TYR 39 0.840 40.095 19.317 2.574 -99.200 -91.000 TYR 52 0.840 40.565 15.064 -8.777 -99.200 -91.000 PHE 61 1.000 37.616 16.147 12.841 -99.200 -91.000 TRP 67 1.040 30.562 11.148 11.649 -99.200 -91.000 TRP6 67 1.020 29.681 11.223 9.459 -99.200 -91.000 PHE 86 1.000 39.289 12.010 -6.472 -99.200 -91.000 HIS 87 0.900 45.743 8.206 -5.044 -99.200 -91.000 PHE 95 1.000 44.300 24.653 16.569 -99.200 -91.000 HIS 98 0.900 49.141 13.222 18.243 -99.200 -91.000 HIS 103 0.900 49.365 9.083 6.183 -99.200 -91.000