============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 20 1.000 10.317 7.005 70.277 -99.200 -91.000 TRP 33 1.040 4.527 -2.749 73.695 -99.200 -91.000 TRP6 33 1.020 5.718 -3.505 71.827 -99.200 -91.000 PHE 45 1.000 15.471 7.711 62.694 -99.200 -91.000 HIS 50 0.900 18.495 2.799 54.706 -99.200 -91.000 TYR 61 0.840 20.701 -7.212 84.101 -99.200 -91.000 HIS 75 0.900 5.667 -11.236 70.945 -99.200 -91.000 TYR 76 0.840 9.673 -5.082 67.690 -99.200 -91.000 TYR 99 0.840 22.874 -11.132 81.523 -99.200 -91.000 TYR 162 0.840 20.762 -2.774 58.422 -99.200 -91.000 HIS 172 0.900 35.225 -20.969 75.018 -99.200 -91.000 TYR 173 0.840 26.994 -19.611 76.639 -99.200 -91.000 TRP 199 1.040 19.579 -16.092 73.195 -99.200 -91.000 TRP6 199 1.020 17.350 -15.632 73.844 -99.200 -91.000 TYR 210 0.840 7.603 -15.334 76.230 -99.200 -91.000 TYR 214 0.840 9.164 -17.147 71.358 -99.200 -91.000 HIS 221 0.900 12.910 -34.594 72.778 -99.200 -91.000 HIS 239 0.900 29.311 -24.802 85.562 -99.200 -91.000 TYR 245 0.840 26.211 -11.784 85.083 -99.200 -91.000