============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 17 0.900 -10.120 39.419 122.666 -99.200 -91.000 TYR 23 0.840 -22.510 42.024 122.159 -99.200 -91.000 HIS 46 0.900 -8.134 27.490 117.526 -99.200 -91.000 HIS 48 0.900 -8.194 28.822 123.048 -99.200 -91.000 PHE 64 1.000 -10.526 22.037 124.867 -99.200 -91.000 TYR 66 0.840 -21.944 20.067 126.732 -99.200 -91.000 PHE 110 1.000 3.247 20.560 116.843 -99.200 -91.000 PHE 115 1.000 -0.049 35.190 123.468 -99.200 -91.000 HIS 118 0.900 2.352 43.706 130.579 -99.200 -91.000 TYR 124 0.840 -11.054 46.112 128.045 -99.200 -91.000 PHE 127 1.000 -10.731 43.862 134.403 -99.200 -91.000 TYR 129 0.840 -17.114 36.400 136.550 -99.200 -91.000 TRP 131 1.040 -11.991 34.931 136.010 -99.200 -91.000 TRP6 131 1.020 -11.044 35.169 133.868 -99.200 -91.000 TYR 135 0.840 -5.469 35.373 131.344 -99.200 -91.000 PHE 143 1.000 1.898 29.798 123.845 -99.200 -91.000 PHE 147 1.000 13.874 24.126 118.664 -99.200 -91.000 PHE 157 1.000 -1.024 17.943 117.298 -99.200 -91.000 TYR 169 0.840 1.627 33.013 118.423 -99.200 -91.000 TYR 175 0.840 15.362 31.157 109.585 -99.200 -91.000 PHE 179 1.000 16.132 21.506 114.346 -99.200 -91.000 PHE 180 1.000 9.425 19.838 105.397 -99.200 -91.000 HIS 181 0.900 14.112 21.598 105.920 -99.200 -91.000 TYR 184 0.840 11.730 15.366 115.575 -99.200 -91.000 PHE 193 1.000 2.779 32.550 107.581 -99.200 -91.000 HIS 195 0.900 1.813 38.840 110.835 -99.200 -91.000 PHE 210 1.000 11.870 38.753 106.228 -99.200 -91.000 TYR 223 0.840 4.137 27.668 103.112 -99.200 -91.000 TRP 225 1.040 0.183 31.283 103.058 -99.200 -91.000 TRP6 225 1.020 -0.446 33.499 103.523 -99.200 -91.000 PHE 233 1.000 -3.242 46.798 113.044 -99.200 -91.000 TYR 255 0.840 -13.287 46.771 119.770 -99.200 -91.000 PHE 302 1.000 -14.927 15.744 118.380 -99.200 -91.000