============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 33 0.900 9.726 30.448 5.856 -99.200 -91.000 TYR 34 0.840 5.693 27.407 11.725 -99.200 -91.000 TRP 36 1.040 4.958 31.588 17.841 -99.200 -91.000 TRP6 36 1.020 2.965 30.597 18.589 -99.200 -91.000 PHE 37 1.000 2.017 38.630 14.330 -99.200 -91.000 HIS 45 0.900 15.340 38.575 16.794 -99.200 -91.000 TYR 51 0.840 6.684 33.271 23.134 -99.200 -91.000 TYR 55 0.840 12.988 30.463 35.521 -99.200 -91.000 HIS 60 0.900 6.601 36.484 30.277 -99.200 -91.000 TYR 64 0.840 1.258 35.063 24.186 -99.200 -91.000 TRP 65 1.040 -2.493 36.531 16.526 -99.200 -91.000 TRP6 65 1.020 -1.940 36.856 14.276 -99.200 -91.000 HIS 67 0.900 0.352 35.141 8.587 -99.200 -91.000 TYR 69 0.840 5.460 33.943 6.544 -99.200 -91.000