============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 26 0.840 23.074 28.390 75.524 -99.200 -91.000 PHE 40 1.000 18.195 12.374 86.957 -99.200 -91.000 TYR 46 0.840 29.553 34.212 80.875 -99.200 -91.000 HIS 47 0.900 22.811 37.455 82.213 -99.200 -91.000 PHE 48 1.000 25.114 41.299 83.723 -99.200 -91.000 HIS 98 0.900 22.203 16.406 95.600 -99.200 -91.000 TYR 125 0.840 29.305 29.950 104.923 -99.200 -91.000 TRP 127 1.040 25.773 31.136 111.141 -99.200 -91.000 TRP6 127 1.020 26.142 33.240 110.117 -99.200 -91.000