============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 6 1.000 -2.388 11.744 4.070 -99.200 -91.000 PHE 28 1.000 13.000 4.950 8.640 -99.200 -91.000 TRP 41 1.040 11.183 24.968 18.065 -99.200 -91.000 TRP6 41 1.020 10.426 22.918 18.958 -99.200 -91.000 TYR 53 0.840 12.775 10.896 8.106 -99.200 -91.000 HIS 60 0.900 -0.021 15.322 -4.273 -99.200 -91.000 HIS 65 0.900 -5.202 14.317 8.515 -99.200 -91.000 TYR 78 0.840 4.226 19.236 5.241 -99.200 -91.000 HIS 92 0.900 9.046 11.021 12.148 -99.200 -91.000 HIS 106 0.900 7.923 7.879 22.327 -99.200 -91.000 HIS 112 0.900 7.639 26.840 15.090 -99.200 -91.000 PHE 121 1.000 1.441 19.808 17.778 -99.200 -91.000 PHE 133 1.000 -1.995 11.973 20.441 -99.200 -91.000 TYR 134 0.840 -9.105 10.215 17.333 -99.200 -91.000 HIS 136 0.900 -6.769 11.327 10.345 -99.200 -91.000 TYR 144 0.840 -1.001 6.601 19.011 -99.200 -91.000 PHE 157 1.000 17.553 15.256 22.095 -99.200 -91.000 HIS 166 0.900 4.481 0.704 27.699 -99.200 -91.000 TYR 168 0.840 4.384 5.070 25.696 -99.200 -91.000 TYR 177 0.840 1.125 32.005 25.190 -99.200 -91.000 HIS 182 0.900 12.803 24.927 30.917 -99.200 -91.000 HIS 189 0.900 -2.632 4.460 26.695 -99.200 -91.000 TYR 193 0.840 -10.601 5.308 14.770 -99.200 -91.000