============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 6 1.000 41.878 0.247 15.720 -99.200 -91.000 TRP 26 1.040 16.669 9.421 -1.167 -99.200 -91.000 TRP6 26 1.020 17.736 7.543 -0.236 -99.200 -91.000 HIS 31 0.900 30.342 14.603 8.585 -99.200 -91.000 TRP 45 1.040 40.554 -2.179 7.899 -99.200 -91.000 TRP6 45 1.020 40.677 -0.224 9.211 -99.200 -91.000 HIS 54 0.900 33.358 -3.499 0.483 -99.200 -91.000 HIS 57 0.900 18.352 -2.044 2.755 -99.200 -91.000 TYR 66 0.840 18.656 1.132 -1.328 -99.200 -91.000 HIS 73 0.900 21.620 -3.988 -5.188 -99.200 -91.000 PHE 75 1.000 28.645 -2.287 -2.396 -99.200 -91.000 PHE 96 1.000 25.683 -6.981 14.127 -99.200 -91.000 TRP 110 1.040 38.105 -11.003 11.818 -99.200 -91.000 TRP6 110 1.020 37.175 -11.980 9.895 -99.200 -91.000 PHE 135 1.000 30.348 -8.303 17.438 -99.200 -91.000 PHE 145 1.000 26.212 10.245 2.798 -99.200 -91.000 PHE 147 1.000 20.470 11.289 3.020 -99.200 -91.000 TRP 152 1.040 5.567 12.443 16.704 -99.200 -91.000 TRP6 152 1.020 5.304 11.083 14.812 -99.200 -91.000 HIS 153 0.900 6.656 20.943 18.580 -99.200 -91.000 HIS 163 0.900 27.031 12.875 11.427 -99.200 -91.000 TYR 173 0.840 23.270 2.140 22.178 -99.200 -91.000