============================================================================= 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. TYR 31 0.840 10.145 -2.889 25.802 -99.200 -91.000 PHE 41 1.000 -3.760 4.139 27.114 -99.200 -91.000 HIS 47 0.900 4.510 1.800 16.247 -99.200 -91.000 PHE 55 1.000 10.511 6.588 27.037 -99.200 -91.000 TYR 56 0.840 13.180 2.242 28.204 -99.200 -91.000 HIS 74 0.900 -3.430 -17.694 35.154 -99.200 -91.000 PHE 82 1.000 6.988 1.818 36.650 -99.200 -91.000 TRP 88 1.040 11.647 19.026 34.365 -99.200 -91.000 TRP6 88 1.020 9.716 20.078 35.088 -99.200 -91.000 PHE 103 1.000 6.049 -9.812 29.421 -99.200 -91.000 HIS 106 0.900 9.437 -16.339 19.762 -99.200 -91.000 TYR 115 0.840 -3.041 2.966 31.505 -99.200 -91.000 TRP 116 1.040 3.829 8.493 32.539 -99.200 -91.000 TRP6 116 1.020 4.588 10.754 32.176 -99.200 -91.000