============================================================================= 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. HIS 7 0.900 10.551 -2.067 13.307 -99.200 -91.000 TRP 12 1.040 13.068 4.570 23.616 -99.200 -91.000 TRP6 12 1.020 11.913 2.785 24.656 -99.200 -91.000 PHE 30 1.000 12.779 -3.757 26.399 -99.200 -91.000 TRP 34 1.040 17.274 -14.754 18.723 -99.200 -91.000 TRP6 34 1.020 17.398 -15.504 20.961 -99.200 -91.000 PHE 45 1.000 3.009 -6.255 24.401 -99.200 -91.000 PHE 52 1.000 -6.318 -3.591 30.148 -99.200 -91.000 PHE 57 1.000 -0.695 -2.862 25.975 -99.200 -91.000 PHE 72 1.000 14.210 0.876 30.098 -99.200 -91.000 PHE 80 1.000 5.735 -9.726 27.810 -99.200 -91.000 PHE 82 1.000 3.570 -4.129 32.985 -99.200 -91.000 HIS 107 0.900 1.671 -1.614 37.439 -99.200 -91.000