============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 3 1.000 -130.485 -47.755 64.221 -99.200 -91.000 PHE 5 1.000 -128.603 -38.351 66.305 -99.200 -91.000 TYR 21 0.840 -124.728 -17.027 68.392 -99.200 -91.000 PHE 27 1.000 -125.673 -24.835 55.092 -99.200 -91.000 HIS 73 0.900 -132.478 -32.512 47.240 -99.200 -91.000 PHE 98 1.000 -114.622 -31.374 68.374 -99.200 -91.000 PHE 112 1.000 -113.175 -35.181 66.831 -99.200 -91.000 PHE 116 1.000 -124.789 -35.020 58.960 -99.200 -91.000 TYR 117 0.840 -123.162 -34.781 64.008 -99.200 -91.000 PHE 120 1.000 -129.659 -32.042 62.714 -99.200 -91.000 HIS 132 0.900 -119.130 -49.173 50.514 -99.200 -91.000 HIS 138 0.900 -129.642 -49.727 53.361 -99.200 -91.000 TRP 140 1.040 -128.760 -41.115 59.864 -99.200 -91.000 TRP6 140 1.020 -128.850 -38.767 60.173 -99.200 -91.000 PHE 147 1.000 -129.319 -42.698 64.112 -99.200 -91.000 TYR 175 0.840 -128.193 -20.374 54.076 -99.200 -91.000 TYR 188 0.840 -118.073 -21.369 52.515 -99.200 -91.000 PHE 191 1.000 -108.122 -22.104 48.311 -99.200 -91.000 PHE 194 1.000 -112.210 -35.317 44.075 -99.200 -91.000 TYR 197 0.840 -120.024 -29.773 37.308 -99.200 -91.000 TRP 199 1.040 -131.200 -27.992 37.988 -99.200 -91.000 TRP6 199 1.020 -130.433 -29.060 36.021 -99.200 -91.000 TRP 205 1.040 -134.225 -23.794 35.150 -99.200 -91.000 TRP6 205 1.020 -133.618 -23.338 37.390 -99.200 -91.000 TRP 207 1.040 -126.105 -30.884 36.398 -99.200 -91.000 TRP6 207 1.020 -126.589 -30.775 38.710 -99.200 -91.000