============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 -4.043 88.734 6.816 -99.200 -91.000 HIS 25 0.900 8.076 93.363 5.011 -99.200 -91.000 PHE 38 1.000 7.948 79.465 0.549 -99.200 -91.000 TYR 62 0.840 4.877 89.166 -11.993 -99.200 -91.000 PHE 70 1.000 0.980 81.575 -6.442 -99.200 -91.000 PHE 90 1.000 0.930 86.273 -11.957 -99.200 -91.000 TYR 98 0.840 1.297 74.783 3.092 -99.200 -91.000 TYR 101 0.840 -3.139 72.696 5.827 -99.200 -91.000 TYR 102 0.840 -7.471 68.330 11.113 -99.200 -91.000 TYR 103 0.840 -7.818 65.781 6.534 -99.200 -91.000 HIS 110 0.900 -3.955 57.834 -1.033 -99.200 -91.000 TYR 114 0.840 -0.644 68.155 -2.314 -99.200 -91.000 PHE 115 1.000 4.346 67.485 -1.910 -99.200 -91.000 HIS 124 0.900 6.358 79.819 -13.499 -99.200 -91.000 TYR 127 0.840 12.076 76.161 -5.681 -99.200 -91.000 TYR 129 0.840 6.989 75.680 4.223 -99.200 -91.000 TYR 131 0.840 6.839 74.293 10.027 -99.200 -91.000 PHE 150 1.000 9.045 67.908 -4.375 -99.200 -91.000 HIS 162 0.900 14.428 65.872 7.183 -99.200 -91.000 TYR 166 0.840 14.981 67.199 2.024 -99.200 -91.000 TYR 176 0.840 16.762 77.645 -1.259 -99.200 -91.000 TYR 201 0.840 12.228 89.863 12.979 -99.200 -91.000 PHE 226 1.000 26.596 81.855 18.633 -99.200 -91.000 HIS 228 0.900 18.390 87.107 12.823 -99.200 -91.000 PHE 238 1.000 4.924 88.506 25.519 -99.200 -91.000 TYR 245 0.840 1.645 90.543 11.114 -99.200 -91.000 TYR 250 0.840 12.481 98.308 18.402 -99.200 -91.000 PHE 251 1.000 14.883 94.959 15.427 -99.200 -91.000 TYR 254 0.840 8.328 98.561 6.184 -99.200 -91.000 TYR 258 0.840 -4.268 96.255 12.730 -99.200 -91.000 PHE 264 1.000 -7.093 85.890 18.741 -99.200 -91.000