============================================================================= 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 9 0.900 42.960 68.803 12.358 -99.200 -91.000 PHE 15 1.000 46.995 50.123 10.378 -99.200 -91.000 PHE 23 1.000 48.271 50.086 4.218 -99.200 -91.000 TRP 25 1.040 53.156 51.219 9.392 -99.200 -91.000 TRP6 25 1.020 55.041 52.189 10.447 -99.200 -91.000 HIS 47 0.900 45.973 61.676 2.916 -99.200 -91.000 TYR 50 0.840 46.192 65.041 -1.694 -99.200 -91.000 TYR 54 0.840 35.270 66.183 2.294 -99.200 -91.000 HIS 61 0.900 38.327 66.609 -5.189 -99.200 -91.000 PHE 79 1.000 49.893 48.174 -0.623 -99.200 -91.000 HIS 82 0.900 38.619 51.002 -5.116 -99.200 -91.000 TYR 95 0.840 36.115 61.158 14.830 -99.200 -91.000 PHE 96 1.000 37.115 62.684 6.706 -99.200 -91.000 PHE 99 1.000 35.051 49.804 4.276 -99.200 -91.000