============================================================================= 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. TYR 12 0.840 27.320 -6.183 17.726 -99.200 -91.000 TYR 15 0.840 39.263 -14.905 14.255 -99.200 -91.000 TYR 23 0.840 41.090 -27.709 13.933 -99.200 -91.000 PHE 28 1.000 34.326 -17.536 12.970 -99.200 -91.000 TYR 31 0.840 22.898 -10.320 20.353 -99.200 -91.000 PHE 45 1.000 19.439 -22.096 10.423 -99.200 -91.000 TYR 47 0.840 25.122 -22.417 12.671 -99.200 -91.000 TYR 57 0.840 29.588 -4.051 9.481 -99.200 -91.000 TRP 66 1.040 24.722 -2.814 -3.748 -99.200 -91.000 TRP6 66 1.020 24.354 -1.856 -1.629 -99.200 -91.000 HIS 76 0.900 21.108 -15.101 -5.184 -99.200 -91.000 TYR 89 0.840 17.196 5.496 1.713 -99.200 -91.000 PHE 97 1.000 18.701 -5.473 5.856 -99.200 -91.000 PHE 101 1.000 20.251 -8.968 15.363 -99.200 -91.000 TYR 110 0.840 36.771 14.039 20.836 -99.200 -91.000 TYR 130 0.840 33.606 15.572 11.315 -99.200 -91.000 PHE 141 1.000 22.165 9.786 8.718 -99.200 -91.000 PHE 142 1.000 27.212 11.428 9.166 -99.200 -91.000 TYR 150 0.840 23.064 14.930 10.267 -99.200 -91.000 TRP 154 1.040 29.714 12.399 1.644 -99.200 -91.000 TRP6 154 1.020 30.806 10.451 2.375 -99.200 -91.000 PHE 156 1.000 36.877 17.322 8.445 -99.200 -91.000 TYR 181 0.840 38.579 9.358 13.532 -99.200 -91.000 TYR 192 0.840 32.027 -5.001 24.088 -99.200 -91.000 TYR 212 0.840 23.167 -3.517 14.771 -99.200 -91.000 TYR 222 0.840 16.212 -21.018 4.939 -99.200 -91.000 HIS 240 0.900 16.970 -7.559 29.105 -99.200 -91.000 TRP 246 1.040 27.348 -12.662 24.001 -99.200 -91.000 TRP6 246 1.020 29.528 -13.601 23.973 -99.200 -91.000 TRP 247 1.040 26.477 -4.415 24.498 -99.200 -91.000 TRP6 247 1.020 25.909 -6.044 22.869 -99.200 -91.000