============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 12 0.840 21.951 -68.094 6.371 -99.200 -91.000 TYR 47 0.840 36.761 -59.776 18.577 -99.200 -91.000 TRP 70 1.040 32.877 -60.441 28.198 -99.200 -91.000 TRP6 70 1.020 32.393 -61.610 26.228 -99.200 -91.000 TRP 71 1.040 29.969 -58.348 23.112 -99.200 -91.000 TRP6 71 1.020 30.247 -60.313 21.848 -99.200 -91.000 PHE 72 1.000 33.378 -51.526 22.148 -99.200 -91.000 HIS 93 0.900 27.445 -59.317 35.171 -99.200 -91.000 HIS 98 0.900 39.791 -61.560 39.678 -99.200 -91.000 PHE 127 1.000 28.148 -49.212 23.248 -99.200 -91.000 PHE 132 1.000 24.194 -41.436 27.837 -99.200 -91.000 PHE 164 1.000 24.371 -39.013 17.511 -99.200 -91.000 HIS 166 0.900 16.210 -37.874 10.874 -99.200 -91.000 HIS 167 0.900 23.864 -33.234 15.536 -99.200 -91.000 PHE 174 1.000 31.915 -37.163 13.901 -99.200 -91.000 PHE 175 1.000 31.055 -42.273 4.718 -99.200 -91.000 TYR 189 0.840 37.300 -42.507 9.709 -99.200 -91.000