============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 12 1.040 -23.173 77.165 86.718 -99.200 -91.000 TRP6 12 1.020 -21.752 78.978 87.213 -99.200 -91.000 HIS 14 0.900 -17.168 74.551 85.936 -99.200 -91.000 PHE 19 1.000 -25.248 59.716 89.772 -99.200 -91.000 TYR 24 0.840 -21.630 56.435 100.170 -99.200 -91.000 PHE 25 1.000 -25.029 63.777 92.847 -99.200 -91.000 TRP 35 1.040 -5.913 64.481 84.997 -99.200 -91.000 TRP6 35 1.020 -5.499 62.657 86.398 -99.200 -91.000 HIS 41 0.900 -16.094 65.018 101.738 -99.200 -91.000 PHE 48 1.000 -19.096 51.240 91.022 -99.200 -91.000 HIS 56 0.900 -30.325 72.423 84.192 -99.200 -91.000 PHE 73 1.000 -11.303 56.064 92.988 -99.200 -91.000 HIS 76 0.900 -2.639 66.232 99.949 -99.200 -91.000 TYR 79 0.840 -9.362 62.696 103.594 -99.200 -91.000 PHE 82 1.000 -10.241 62.524 115.167 -99.200 -91.000 TRP 124 1.040 -27.498 68.143 89.394 -99.200 -91.000 TRP6 124 1.020 -25.386 68.163 88.355 -99.200 -91.000 TYR 155 0.840 -18.012 75.345 111.016 -99.200 -91.000 TYR 184 0.840 -14.858 86.527 91.261 -99.200 -91.000 TYR 189 0.840 -11.041 82.061 92.583 -99.200 -91.000 PHE 194 1.000 -15.079 71.951 107.514 -99.200 -91.000 TYR 203 0.840 -24.202 77.278 113.121 -99.200 -91.000 PHE 207 1.000 -17.293 76.267 99.585 -99.200 -91.000 TYR 212 0.840 -2.299 75.505 102.060 -99.200 -91.000 PHE 213 1.000 -4.662 71.425 99.561 -99.200 -91.000 TRP 216 1.040 -1.431 66.304 95.855 -99.200 -91.000 TRP6 216 1.020 -3.542 65.721 94.999 -99.200 -91.000