============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 -10.426 -37.205 11.534 -99.200 -91.000 TYR 42 0.840 26.368 -8.401 21.630 -99.200 -91.000 HIS 57 0.900 16.771 -15.708 18.781 -99.200 -91.000 TYR 63 0.840 8.831 -10.386 10.272 -99.200 -91.000 TYR 74 0.840 -5.304 -19.488 9.382 -99.200 -91.000 PHE 82 1.000 -13.358 -31.630 15.254 -99.200 -91.000 TRP 104 1.040 4.129 -24.274 4.410 -99.200 -91.000 TRP6 104 1.020 4.996 -22.543 5.786 -99.200 -91.000 TYR 127 0.840 -9.907 -32.843 5.320 -99.200 -91.000 TYR 131 0.840 -5.178 -31.082 1.648 -99.200 -91.000 HIS 149 0.900 7.063 -11.553 5.105 -99.200 -91.000 TYR 164 0.840 13.237 -5.524 14.412 -99.200 -91.000 TYR 172 0.840 17.192 -0.883 25.843 -99.200 -91.000 TYR 176 0.840 23.524 0.859 14.365 -99.200 -91.000