============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 29 1.000 61.555 7.958 27.126 -99.200 -91.000 TRP 34 1.040 76.502 13.035 28.124 -99.200 -91.000 TRP6 34 1.020 77.470 12.874 25.965 -99.200 -91.000 TYR 35 0.840 77.156 6.106 31.795 -99.200 -91.000 PHE 48 1.000 72.031 12.374 37.942 -99.200 -91.000 HIS 52 0.900 69.607 17.499 37.334 -99.200 -91.000 PHE 61 1.000 84.251 16.458 32.954 -99.200 -91.000 HIS 78 0.900 94.165 18.577 34.616 -99.200 -91.000 TYR 85 0.840 84.905 12.096 28.449 -99.200 -91.000 PHE 86 1.000 82.205 4.648 25.302 -99.200 -91.000 HIS 95 0.900 65.010 -3.069 24.590 -99.200 -91.000 PHE 98 1.000 75.832 2.355 27.521 -99.200 -91.000 PHE 119 1.000 95.772 -0.827 -2.612 -99.200 -91.000 PHE 140 1.000 93.855 7.669 12.234 -99.200 -91.000 TYR 141 0.840 97.738 13.753 18.219 -99.200 -91.000 TRP 149 1.040 83.926 -0.022 4.479 -99.200 -91.000 TRP6 149 1.020 85.360 -0.265 2.612 -99.200 -91.000 TYR 173 0.840 97.326 7.265 17.603 -99.200 -91.000 TYR 178 0.840 91.517 -5.389 5.898 -99.200 -91.000 TRP 186 1.040 83.815 -6.262 -7.542 -99.200 -91.000 TRP6 186 1.020 84.483 -4.122 -6.797 -99.200 -91.000 HIS 189 0.900 75.335 -2.978 -4.681 -99.200 -91.000 TYR 192 0.840 80.467 -2.384 -3.570 -99.200 -91.000 HIS 198 0.900 91.619 12.967 12.541 -99.200 -91.000