============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 14 1.000 93.680 -13.972 129.173 -99.200 -91.000 HIS 25 0.900 87.294 -16.803 115.012 -99.200 -91.000 PHE 27 1.000 84.736 -17.338 117.890 -99.200 -91.000 PHE 28 1.000 86.382 -8.934 120.920 -99.200 -91.000 TYR 38 0.840 78.725 -3.444 118.666 -99.200 -91.000 TYR 42 0.840 87.966 1.125 114.191 -99.200 -91.000 PHE 44 1.000 91.852 -8.941 118.847 -99.200 -91.000 TYR 56 0.840 79.268 -14.325 116.038 -99.200 -91.000 PHE 61 1.000 80.236 -18.130 121.187 -99.200 -91.000 HIS 80 0.900 77.277 -4.047 136.646 -99.200 -91.000 PHE 93 1.000 78.393 -23.617 122.148 -99.200 -91.000 PHE 105 1.000 80.217 -3.674 140.743 -99.200 -91.000 TYR 117 0.840 93.123 -17.821 132.740 -99.200 -91.000 TYR 121 0.840 82.687 -4.426 134.995 -99.200 -91.000 TRP 123 1.040 78.467 0.020 138.589 -99.200 -91.000 TRP6 123 1.020 77.663 0.515 136.465 -99.200 -91.000 TYR 134 0.840 83.110 1.195 127.011 -99.200 -91.000 TYR 138 0.840 89.959 -0.207 124.228 -99.200 -91.000 PHE 142 1.000 94.687 -1.468 122.666 -99.200 -91.000 PHE 154 1.000 99.902 -3.828 127.989 -99.200 -91.000 TYR 168 0.840 86.034 8.402 131.173 -99.200 -91.000 PHE 182 1.000 69.502 14.378 125.062 -99.200 -91.000 HIS 186 0.900 66.507 16.095 122.480 -99.200 -91.000 TYR 193 0.840 65.672 7.611 113.779 -99.200 -91.000 TYR 200 0.840 76.414 0.933 115.106 -99.200 -91.000 TYR 204 0.840 73.176 -2.360 119.846 -99.200 -91.000 TYR 206 0.840 72.174 8.212 125.043 -99.200 -91.000 TRP 214 1.040 59.875 1.998 129.499 -99.200 -91.000 TRP6 214 1.020 58.121 2.278 131.051 -99.200 -91.000 HIS 216 0.900 58.838 4.132 120.154 -99.200 -91.000 HIS 218 0.900 67.588 2.088 113.033 -99.200 -91.000 HIS 221 0.900 78.432 2.314 109.618 -99.200 -91.000 TYR 225 0.840 71.971 10.165 107.826 -99.200 -91.000 PHE 226 1.000 75.099 10.695 103.836 -99.200 -91.000 HIS 227 0.900 74.694 4.173 100.456 -99.200 -91.000 PHE 230 1.000 69.937 9.843 102.105 -99.200 -91.000 PHE 239 1.000 68.850 11.081 112.717 -99.200 -91.000 PHE 258 1.000 71.114 14.601 103.794 -99.200 -91.000 TYR 262 0.840 68.735 18.534 102.576 -99.200 -91.000 TYR 274 0.840 84.434 15.665 124.609 -99.200 -91.000 PHE 276 1.000 90.279 12.362 123.504 -99.200 -91.000 TYR 286 0.840 92.932 1.697 118.103 -99.200 -91.000 TYR 299 0.840 74.702 15.405 126.251 -99.200 -91.000 HIS 309 0.900 61.153 6.129 132.320 -99.200 -91.000 HIS 313 0.900 59.602 2.257 136.133 -99.200 -91.000 TYR 316 0.840 57.533 -5.308 129.472 -99.200 -91.000 TRP 317 1.040 66.713 -6.593 136.817 -99.200 -91.000 TRP6 317 1.020 66.983 -4.252 136.660 -99.200 -91.000 TYR 321 0.840 63.002 -11.413 130.642 -99.200 -91.000