============================================================================= 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. TYR 25 0.840 14.242 51.169 -18.639 -99.200 -91.000 TYR 28 0.840 8.997 57.671 -17.967 -99.200 -91.000 HIS 41 0.900 -16.782 44.377 -10.887 -99.200 -91.000 HIS 61 0.900 -9.104 58.782 -10.761 -99.200 -91.000 HIS 64 0.900 -9.871 49.251 -3.529 -99.200 -91.000 HIS 71 0.900 4.433 50.022 -21.641 -99.200 -91.000 TRP 74 1.040 12.104 55.669 -26.002 -99.200 -91.000 TRP6 74 1.020 14.095 55.977 -24.786 -99.200 -91.000 HIS 77 0.900 6.166 50.831 -34.466 -99.200 -91.000 HIS 86 0.900 2.201 49.760 -24.577 -99.200 -91.000 HIS 88 0.900 -2.558 50.543 -26.650 -99.200 -91.000 HIS 92 0.900 -12.667 39.261 -23.771 -99.200 -91.000 HIS 97 0.900 4.895 45.436 -27.895 -99.200 -91.000 HIS 104 0.900 3.279 48.236 -37.497 -99.200 -91.000 TYR 116 0.840 -11.066 41.810 -33.347 -99.200 -91.000 PHE 118 1.000 -6.207 47.196 -35.062 -99.200 -91.000 HIS 129 0.900 -8.304 45.326 -31.242 -99.200 -91.000 TRP 133 1.040 -8.894 35.750 -35.247 -99.200 -91.000 TRP6 133 1.020 -11.117 35.818 -36.023 -99.200 -91.000 TYR 156 0.840 6.941 39.653 -29.458 -99.200 -91.000 HIS 165 0.900 -12.092 33.467 -18.267 -99.200 -91.000 PHE 188 1.000 4.539 40.061 -6.631 -99.200 -91.000 PHE 203 1.000 13.813 38.649 -8.691 -99.200 -91.000 PHE 205 1.000 16.912 36.720 -13.922 -99.200 -91.000 PHE 222 1.000 3.055 25.508 -20.727 -99.200 -91.000