============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 26 1.000 0.083 24.549 11.298 -99.200 -91.000 HIS 39 0.900 12.432 18.031 29.860 -99.200 -91.000 PHE 58 1.000 6.131 25.136 27.074 -99.200 -91.000 PHE 59 1.000 -1.030 23.102 29.221 -99.200 -91.000 HIS 61 0.900 -0.215 17.092 27.594 -99.200 -91.000 TRP 69 1.040 -3.226 14.442 25.360 -99.200 -91.000 TRP6 69 1.020 -3.068 15.639 23.356 -99.200 -91.000 PHE 73 1.000 -7.828 19.830 22.350 -99.200 -91.000 PHE 80 1.000 -3.371 31.492 21.206 -99.200 -91.000 TRP 106 1.040 5.356 -3.042 23.925 -99.200 -91.000 TRP6 106 1.020 5.438 -3.243 21.575 -99.200 -91.000 PHE 118 1.000 -7.552 6.283 22.607 -99.200 -91.000 PHE 119 1.000 -4.290 8.752 26.626 -99.200 -91.000 PHE 146 1.000 3.026 4.612 3.868 -99.200 -91.000 TYR 155 0.840 9.686 6.047 15.261 -99.200 -91.000 TYR 178 0.840 -18.673 13.476 14.971 -99.200 -91.000 HIS 186 0.900 2.671 8.182 6.915 -99.200 -91.000 TYR 189 0.840 16.024 8.303 8.514 -99.200 -91.000 HIS 215 0.900 18.707 16.635 -0.332 -99.200 -91.000 TYR 224 0.840 6.923 25.702 3.126 -99.200 -91.000 TYR 228 0.840 -3.117 19.915 0.780 -99.200 -91.000 PHE 236 1.000 -13.600 14.782 -2.043 -99.200 -91.000 PHE 242 1.000 -2.107 14.015 2.313 -99.200 -91.000 TYR 248 0.840 14.042 5.031 3.909 -99.200 -91.000