============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 -35.029 -4.359 2.942 -99.200 -91.000 HIS 15 0.900 -27.325 -15.520 12.763 -99.200 -91.000 HIS 61 0.900 -23.600 4.705 21.265 -99.200 -91.000 PHE 68 1.000 -27.450 -1.142 31.946 -99.200 -91.000 HIS 83 0.900 -44.530 -0.534 20.173 -99.200 -91.000 PHE 85 1.000 -38.114 -1.787 19.256 -99.200 -91.000 PHE 88 1.000 -25.978 -1.866 16.085 -99.200 -91.000 PHE 93 1.000 -18.577 -6.091 22.429 -99.200 -91.000 TYR 104 0.840 -21.797 -10.570 22.738 -99.200 -91.000 PHE 109 1.000 -22.778 -0.968 30.273 -99.200 -91.000 TRP 114 1.040 -28.968 -6.151 27.549 -99.200 -91.000 TRP6 114 1.020 -28.394 -4.432 26.026 -99.200 -91.000 HIS 121 0.900 -14.333 0.367 15.521 -99.200 -91.000 HIS 140 0.900 -30.315 -19.792 17.537 -99.200 -91.000 TYR 160 0.840 -10.123 -0.912 9.209 -99.200 -91.000 HIS 171 0.900 -14.517 -15.250 11.713 -99.200 -91.000 PHE 174 1.000 -21.322 -13.438 16.932 -99.200 -91.000 PHE 178 1.000 -20.047 -6.527 5.832 -99.200 -91.000 PHE 190 1.000 -22.016 -11.329 5.021 -99.200 -91.000 HIS 192 0.900 -24.173 -4.301 2.716 -99.200 -91.000 TYR 210 0.840 -25.651 14.102 10.089 -99.200 -91.000 TYR 244 0.840 -34.664 11.303 8.901 -99.200 -91.000 TRP 249 1.040 -41.022 0.401 2.029 -99.200 -91.000 TRP6 249 1.020 -40.118 -1.568 2.961 -99.200 -91.000 TYR 252 0.840 -36.659 -2.711 -0.111 -99.200 -91.000