============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 19 1.000 -0.188 -3.220 2.072 -99.200 -91.000 PHE 46 1.000 -16.928 2.045 23.461 -99.200 -91.000 TRP 49 1.040 -21.277 -0.237 17.007 -99.200 -91.000 TRP6 49 1.020 -23.367 0.270 15.991 -99.200 -91.000 TYR 53 0.840 -20.756 2.354 23.144 -99.200 -91.000 PHE 56 1.000 -14.087 7.899 23.238 -99.200 -91.000 TYR 62 0.840 -10.739 11.235 11.865 -99.200 -91.000 TYR 72 0.840 6.506 7.622 17.178 -99.200 -91.000 TRP 73 1.040 7.528 7.202 7.949 -99.200 -91.000 TRP6 73 1.020 7.511 6.152 5.842 -99.200 -91.000 TYR 81 0.840 -18.238 1.996 1.108 -99.200 -91.000 TYR 82 0.840 -19.017 6.301 3.425 -99.200 -91.000 TYR 96 0.840 0.460 17.974 13.411 -99.200 -91.000 TYR 100 0.840 -2.040 12.643 0.697 -99.200 -91.000 TYR 104 0.840 -8.857 0.452 -4.588 -99.200 -91.000 TYR 132 0.840 -16.820 -5.878 -5.590 -99.200 -91.000 PHE 135 1.000 -14.178 1.181 -2.506 -99.200 -91.000 TYR 142 0.840 -13.341 15.616 -4.402 -99.200 -91.000 TRP 144 1.040 -8.507 16.288 -2.685 -99.200 -91.000 TRP6 144 1.020 -9.680 14.620 -1.490 -99.200 -91.000 PHE 148 1.000 3.452 6.399 -3.745 -99.200 -91.000 PHE 159 1.000 4.020 -6.429 2.012 -99.200 -91.000 PHE 176 1.000 -0.746 18.770 1.911 -99.200 -91.000 TYR 193 0.840 -32.017 -3.724 14.803 -99.200 -91.000 PHE 214 1.000 -34.784 5.258 6.680 -99.200 -91.000 PHE 230 1.000 -32.019 1.457 9.024 -99.200 -91.000 TYR 237 0.840 -39.642 -5.749 7.252 -99.200 -91.000