============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 7 0.840 11.223 34.861 81.862 -99.200 -91.000 TYR 12 0.840 21.913 39.670 81.447 -99.200 -91.000 TYR 19 0.840 23.524 36.830 67.177 -99.200 -91.000 TRP 23 1.040 19.366 35.645 63.107 -99.200 -91.000 TRP6 23 1.020 18.336 36.433 65.073 -99.200 -91.000 PHE 30 1.000 17.122 28.925 52.029 -99.200 -91.000 TYR 44 0.840 -1.222 31.102 58.800 -99.200 -91.000 HIS 50 0.900 -4.154 35.383 59.699 -99.200 -91.000 PHE 52 1.000 2.255 27.699 54.098 -99.200 -91.000 PHE 55 1.000 12.014 28.828 52.334 -99.200 -91.000 PHE 65 1.000 12.472 21.964 60.491 -99.200 -91.000 PHE 67 1.000 12.665 28.068 63.201 -99.200 -91.000 HIS 69 0.900 8.780 34.537 63.701 -99.200 -91.000 TYR 72 0.840 10.649 36.995 75.405 -99.200 -91.000 TRP 73 1.040 4.077 34.017 71.903 -99.200 -91.000 TRP6 73 1.020 5.006 33.830 74.058 -99.200 -91.000 PHE 75 1.000 13.162 39.444 65.612 -99.200 -91.000 TRP 80 1.040 12.894 34.005 61.849 -99.200 -91.000 TRP6 80 1.020 14.417 34.481 63.585 -99.200 -91.000 HIS 82 0.900 19.269 32.412 58.296 -99.200 -91.000 TRP 92 1.040 13.287 15.811 56.641 -99.200 -91.000 TRP6 92 1.020 11.390 15.052 57.801 -99.200 -91.000 TYR 98 0.840 4.253 34.210 65.246 -99.200 -91.000 HIS 133 0.900 15.211 31.127 69.142 -99.200 -91.000 HIS 138 0.900 3.271 29.138 73.741 -99.200 -91.000 PHE 179 1.000 3.656 38.553 76.221 -99.200 -91.000 TYR 196 0.840 -2.693 15.202 68.015 -99.200 -91.000 TRP 203 1.040 19.286 22.090 70.884 -99.200 -91.000 TRP6 203 1.020 20.187 20.055 70.089 -99.200 -91.000 PHE 212 1.000 14.157 32.264 77.395 -99.200 -91.000 TRP 218 1.040 10.148 24.800 85.795 -99.200 -91.000 TRP6 218 1.020 10.035 27.156 85.634 -99.200 -91.000 TRP 223 1.040 4.675 18.162 77.979 -99.200 -91.000 TRP6 223 1.020 4.840 18.942 75.745 -99.200 -91.000 HIS 227 0.900 17.158 19.439 79.648 -99.200 -91.000 PHE 231 1.000 31.166 23.784 75.552 -99.200 -91.000 HIS 234 0.900 24.467 33.801 71.921 -99.200 -91.000 HIS 235 0.900 16.221 32.805 73.600 -99.200 -91.000 PHE 236 1.000 19.190 37.195 70.578 -99.200 -91.000