============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 4 0.900 8.372 23.442 55.052 -99.200 -91.000 TYR 14 0.840 12.153 7.522 57.778 -99.200 -91.000 HIS 43 0.900 4.432 27.466 71.269 -99.200 -91.000 TYR 44 0.840 3.346 16.935 71.277 -99.200 -91.000 HIS 54 0.900 2.112 8.524 86.056 -99.200 -91.000 TRP 60 1.040 22.937 13.718 81.570 -99.200 -91.000 TRP6 60 1.020 25.184 14.254 82.116 -99.200 -91.000 HIS 69 0.900 11.835 28.852 73.146 -99.200 -91.000 HIS 70 0.900 6.168 31.668 78.771 -99.200 -91.000 PHE 90 1.000 23.405 20.998 91.277 -99.200 -91.000 PHE 108 1.000 8.902 10.348 91.742 -99.200 -91.000 HIS 125 0.900 7.997 1.444 91.937 -99.200 -91.000 PHE 127 1.000 13.861 4.401 84.355 -99.200 -91.000 TYR 155 0.840 26.213 5.426 72.313 -99.200 -91.000 PHE 156 1.000 19.746 4.890 67.781 -99.200 -91.000 TYR 198 0.840 14.684 2.199 69.570 -99.200 -91.000