============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 8 0.840 22.860 48.512 -28.778 -99.200 -91.000 TYR 9 0.840 30.521 48.655 -25.014 -99.200 -91.000 TRP 11 1.040 31.052 46.528 -18.852 -99.200 -91.000 TRP6 11 1.020 30.376 46.549 -16.608 -99.200 -91.000 PHE 40 1.000 36.230 47.557 -22.245 -99.200 -91.000 TYR 44 0.840 34.143 49.040 -8.331 -99.200 -91.000 PHE 60 1.000 40.843 55.289 -26.892 -99.200 -91.000 TYR 70 0.840 29.713 53.078 -40.612 -99.200 -91.000 TYR 73 0.840 21.808 53.382 -42.398 -99.200 -91.000 TRP 83 1.040 31.955 53.002 -19.236 -99.200 -91.000 TRP6 83 1.020 33.358 51.500 -20.408 -99.200 -91.000 TYR 86 0.840 37.326 61.023 -21.205 -99.200 -91.000 TYR 100 0.840 27.123 59.409 -41.379 -99.200 -91.000 PHE 107 1.000 21.150 56.057 -28.116 -99.200 -91.000 PHE 108 1.000 24.253 61.843 -21.629 -99.200 -91.000 HIS 115 0.900 24.214 63.537 -17.218 -99.200 -91.000 TYR 118 0.840 28.541 60.656 -23.666 -99.200 -91.000 HIS 121 0.900 36.115 64.267 -21.994 -99.200 -91.000 PHE 122 1.000 29.545 61.430 -29.811 -99.200 -91.000 TRP 125 1.040 37.087 60.356 -27.524 -99.200 -91.000 TRP6 125 1.020 36.254 58.484 -26.370 -99.200 -91.000 TRP 144 1.040 19.308 64.773 -31.591 -99.200 -91.000 TRP6 144 1.020 19.944 62.985 -30.181 -99.200 -91.000