============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 -12.353 35.051 93.875 -99.200 -91.000 PHE 16 1.000 -17.934 37.248 93.417 -99.200 -91.000 HIS 20 0.900 -22.908 38.622 95.129 -99.200 -91.000 HIS 40 0.900 -10.249 30.666 105.088 -99.200 -91.000 TYR 44 0.840 -13.516 33.972 107.913 -99.200 -91.000 TYR 48 0.840 -10.968 46.385 101.047 -99.200 -91.000 HIS 49 0.900 -11.796 43.867 108.967 -99.200 -91.000 PHE 51 1.000 -19.472 38.031 99.760 -99.200 -91.000 TYR 57 0.840 -15.386 24.329 99.931 -99.200 -91.000 TYR 61 0.840 -20.921 24.456 89.522 -99.200 -91.000 TYR 63 0.840 -22.560 25.857 95.129 -99.200 -91.000 TRP 82 1.040 -12.361 32.509 79.521 -99.200 -91.000 TRP6 82 1.020 -12.591 33.014 81.819 -99.200 -91.000 PHE 97 1.000 -1.617 34.288 81.840 -99.200 -91.000 HIS 106 0.900 -8.117 35.031 79.493 -99.200 -91.000 HIS 133 0.900 -15.910 57.781 80.294 -99.200 -91.000 TYR 136 0.840 -14.836 49.563 74.559 -99.200 -91.000 HIS 141 0.900 -10.478 50.938 70.933 -99.200 -91.000 HIS 142 0.900 -12.375 43.670 69.270 -99.200 -91.000 PHE 164 1.000 -5.824 76.218 87.706 -99.200 -91.000 HIS 175 0.900 0.869 51.707 95.577 -99.200 -91.000 TYR 177 0.840 2.642 45.812 103.095 -99.200 -91.000 HIS 188 0.900 10.560 41.734 92.552 -99.200 -91.000 PHE 223 1.000 2.258 63.561 85.529 -99.200 -91.000 TYR 271 0.840 -12.043 70.209 97.699 -99.200 -91.000 HIS 286 0.900 -15.185 59.325 95.335 -99.200 -91.000 PHE 305 1.000 0.985 66.124 99.163 -99.200 -91.000 TRP 307 1.040 -5.368 61.124 101.287 -99.200 -91.000 TRP6 307 1.020 -3.823 59.948 102.621 -99.200 -91.000 TYR 308 0.840 -3.365 55.940 94.505 -99.200 -91.000 TRP 312 1.040 -14.114 49.427 97.753 -99.200 -91.000 TRP6 312 1.020 -14.755 47.164 97.979 -99.200 -91.000 TYR 314 0.840 -7.009 49.126 88.760 -99.200 -91.000