============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 6 1.000 17.490 29.148 0.287 -99.200 -91.000 HIS 7 0.900 13.698 28.155 3.134 -99.200 -91.000 HIS 46 0.900 13.916 37.528 6.352 -99.200 -91.000 PHE 49 1.000 9.215 30.018 7.092 -99.200 -91.000 TRP 52 1.040 8.692 39.429 17.452 -99.200 -91.000 TRP6 52 1.020 8.503 41.371 18.781 -99.200 -91.000 PHE 88 1.000 11.975 22.790 17.223 -99.200 -91.000 HIS 100 0.900 -15.729 14.861 25.197 -99.200 -91.000 HIS 121 0.900 8.210 14.452 1.918 -99.200 -91.000 PHE 122 1.000 11.095 15.663 8.217 -99.200 -91.000 PHE 127 1.000 8.810 7.480 14.330 -99.200 -91.000 PHE 133 1.000 6.118 11.685 30.596 -99.200 -91.000 HIS 151 0.900 -11.673 18.284 26.995 -99.200 -91.000 PHE 161 1.000 -10.265 25.788 7.767 -99.200 -91.000 TYR 162 0.840 -11.928 25.551 3.086 -99.200 -91.000 TYR 168 0.840 -19.172 16.609 2.515 -99.200 -91.000 TYR 171 0.840 -15.556 26.196 -7.902 -99.200 -91.000 PHE 179 1.000 -8.971 12.951 3.641 -99.200 -91.000 TRP 186 1.040 -10.650 11.338 11.048 -99.200 -91.000 TRP6 186 1.020 -9.262 9.449 10.762 -99.200 -91.000 TYR 194 0.840 -10.960 17.008 11.151 -99.200 -91.000 HIS 239 0.900 -7.715 31.165 30.066 -99.200 -91.000