============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 12.625 69.381 29.465 -99.200 -91.000 HIS 17 0.900 16.122 64.252 18.917 -99.200 -91.000 PHE 25 1.000 19.899 52.514 32.349 -99.200 -91.000 HIS 29 0.900 18.954 55.044 38.920 -99.200 -91.000 TRP 30 1.040 19.522 60.542 38.015 -99.200 -91.000 TRP6 30 1.020 20.467 61.747 36.217 -99.200 -91.000 HIS 38 0.900 19.151 66.966 47.884 -99.200 -91.000 PHE 47 1.000 8.078 66.031 31.504 -99.200 -91.000 TYR 60 0.840 10.697 62.163 13.300 -99.200 -91.000 PHE 69 1.000 9.218 72.236 22.817 -99.200 -91.000 TYR 83 0.840 3.236 62.193 21.211 -99.200 -91.000 HIS 93 0.900 -0.044 74.080 31.679 -99.200 -91.000 PHE 95 1.000 9.203 70.511 32.883 -99.200 -91.000 TYR 104 0.840 10.968 73.986 35.819 -99.200 -91.000 PHE 108 1.000 21.678 71.319 33.426 -99.200 -91.000 HIS 111 0.900 19.092 66.100 22.363 -99.200 -91.000 PHE 129 1.000 23.919 80.708 35.639 -99.200 -91.000 PHE 133 1.000 27.708 75.504 28.413 -99.200 -91.000 HIS 134 0.900 36.656 78.671 33.538 -99.200 -91.000 TYR 135 0.840 32.220 74.110 38.837 -99.200 -91.000 TYR 147 0.840 27.765 72.751 17.035 -99.200 -91.000 HIS 151 0.900 20.337 83.038 11.538 -99.200 -91.000 TYR 156 0.840 12.595 79.026 14.704 -99.200 -91.000 TYR 165 0.840 20.417 81.885 32.899 -99.200 -91.000 HIS 176 0.900 21.220 57.964 17.542 -99.200 -91.000 HIS 191 0.900 32.423 67.762 37.741 -99.200 -91.000 PHE 195 1.000 28.192 77.830 37.293 -99.200 -91.000 PHE 199 1.000 24.871 82.475 40.253 -99.200 -91.000 PHE 205 1.000 31.258 80.485 40.096 -99.200 -91.000 TYR 213 0.840 36.164 73.586 18.466 -99.200 -91.000 TYR 220 0.840 26.426 61.869 3.912 -99.200 -91.000 HIS 233 0.900 39.268 59.765 2.526 -99.200 -91.000 TRP 241 1.040 35.052 67.788 18.890 -99.200 -91.000 TRP6 241 1.020 33.506 69.575 19.147 -99.200 -91.000 HIS 245 0.900 44.576 72.194 7.388 -99.200 -91.000 PHE 251 1.000 31.106 64.356 1.558 -99.200 -91.000 TYR 268 0.840 39.205 74.371 13.716 -99.200 -91.000 PHE 271 1.000 26.224 67.166 16.403 -99.200 -91.000 TYR 277 0.840 22.331 66.025 12.929 -99.200 -91.000 TYR 278 0.840 23.839 59.053 6.558 -99.200 -91.000 PHE 284 1.000 31.876 67.899 6.592 -99.200 -91.000