============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 21 1.000 11.746 60.688 115.752 -99.200 -91.000 HIS 28 0.900 22.826 64.598 114.884 -99.200 -91.000 TYR 29 0.840 22.626 64.093 119.751 -99.200 -91.000 PHE 36 1.000 20.003 55.632 123.536 -99.200 -91.000 TYR 48 0.840 23.173 59.559 126.414 -99.200 -91.000 TYR 60 0.840 -4.921 63.840 129.066 -99.200 -91.000 PHE 63 1.000 -5.515 75.571 129.654 -99.200 -91.000 PHE 95 1.000 9.959 68.449 127.148 -99.200 -91.000 PHE 96 1.000 4.443 67.847 120.079 -99.200 -91.000 PHE 103 1.000 13.425 63.938 128.210 -99.200 -91.000 TYR 112 0.840 7.776 62.312 140.372 -99.200 -91.000 PHE 113 1.000 15.209 59.875 133.089 -99.200 -91.000 TYR 123 0.840 15.837 71.505 113.271 -99.200 -91.000 PHE 137 1.000 13.824 70.082 87.775 -99.200 -91.000 TYR 155 0.840 -11.808 76.788 98.120 -99.200 -91.000 PHE 156 1.000 -20.339 76.601 100.122 -99.200 -91.000 PHE 161 1.000 -25.697 76.731 100.053 -99.200 -91.000 PHE 169 1.000 -7.759 82.164 93.095 -99.200 -91.000 HIS 180 0.900 5.191 78.531 85.657 -99.200 -91.000 PHE 185 1.000 -3.437 72.429 101.144 -99.200 -91.000 PHE 188 1.000 -11.995 71.476 97.175 -99.200 -91.000 HIS 193 0.900 -22.475 76.139 104.823 -99.200 -91.000 PHE 204 1.000 -28.512 75.450 95.657 -99.200 -91.000 PHE 207 1.000 -27.009 74.302 90.928 -99.200 -91.000 PHE 218 1.000 -16.689 69.149 94.026 -99.200 -91.000 PHE 222 1.000 -16.919 74.140 95.524 -99.200 -91.000 HIS 232 0.900 -2.304 77.016 78.097 -99.200 -91.000 HIS 248 0.900 -9.283 57.173 103.752 -99.200 -91.000 TYR 251 0.840 -3.137 63.775 108.528 -99.200 -91.000 PHE 268 1.000 -9.301 70.944 87.671 -99.200 -91.000 PHE 277 1.000 2.720 68.579 95.553 -99.200 -91.000 TYR 283 0.840 12.109 66.578 96.989 -99.200 -91.000 PHE 284 1.000 5.526 73.425 96.442 -99.200 -91.000 PHE 292 1.000 2.302 75.722 111.653 -99.200 -91.000 TYR 308 0.840 8.195 86.661 116.711 -99.200 -91.000 HIS 316 0.900 8.001 71.123 119.657 -99.200 -91.000 TYR 323 0.840 4.326 66.696 106.156 -99.200 -91.000 TYR 324 0.840 -2.783 66.805 114.272 -99.200 -91.000 PHE 327 1.000 -2.093 58.754 119.959 -99.200 -91.000 HIS 334 0.900 -16.177 63.690 117.908 -99.200 -91.000 TYR 344 0.840 -3.853 52.390 107.326 -99.200 -91.000 PHE 350 1.000 8.813 66.057 107.711 -99.200 -91.000 PHE 354 1.000 15.651 63.125 100.732 -99.200 -91.000 HIS 367 0.900 -2.879 86.598 105.862 -99.200 -91.000 PHE 368 1.000 1.865 80.382 109.550 -99.200 -91.000 PHE 383 1.000 -10.977 82.126 97.363 -99.200 -91.000 TYR 393 0.840 -4.693 84.752 96.019 -99.200 -91.000 TYR 418 0.840 25.205 72.045 92.066 -99.200 -91.000 HIS 420 0.900 16.134 71.068 95.553 -99.200 -91.000 TRP 423 1.040 16.963 78.932 102.703 -99.200 -91.000 TRP6 423 1.020 18.342 80.737 103.330 -99.200 -91.000