============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 2 0.900 72.008 -45.032 47.193 -99.200 -91.000 TYR 3 0.840 70.760 -37.331 49.232 -99.200 -91.000 TRP 15 1.040 70.084 -47.707 31.389 -99.200 -91.000 TRP6 15 1.020 71.443 -46.231 32.628 -99.200 -91.000 PHE 17 1.000 63.272 -45.712 23.728 -99.200 -91.000 HIS 27 0.900 66.549 -38.082 36.675 -99.200 -91.000 HIS 30 0.900 59.013 -43.562 34.396 -99.200 -91.000 HIS 35 0.900 64.078 -38.983 42.603 -99.200 -91.000 TYR 43 0.840 66.741 -37.865 46.507 -99.200 -91.000 TYR 51 0.840 64.084 -26.298 31.758 -99.200 -91.000 HIS 57 0.900 81.746 -24.878 29.482 -99.200 -91.000 PHE 60 1.000 83.480 -25.828 34.061 -99.200 -91.000 PHE 61 1.000 76.144 -30.425 35.044 -99.200 -91.000 TYR 63 0.840 70.024 -29.440 35.334 -99.200 -91.000 PHE 98 1.000 78.921 -28.960 54.146 -99.200 -91.000 TRP 112 1.040 83.883 -27.333 45.310 -99.200 -91.000 TRP6 112 1.020 83.904 -29.317 44.012 -99.200 -91.000 TYR 132 0.840 82.626 -32.124 27.519 -99.200 -91.000 TYR 140 0.840 76.152 -42.739 37.124 -99.200 -91.000 TYR 144 0.840 79.184 -34.014 36.847 -99.200 -91.000 TYR 149 0.840 71.622 -22.171 45.934 -99.200 -91.000 TRP 150 1.040 73.864 -17.287 39.071 -99.200 -91.000 TRP6 150 1.020 75.242 -19.176 38.746 -99.200 -91.000 PHE 158 1.000 59.415 -14.171 30.911 -99.200 -91.000 TRP 161 1.040 65.882 -19.399 41.489 -99.200 -91.000 TRP6 161 1.020 67.356 -18.614 43.175 -99.200 -91.000 TYR 163 0.840 69.988 -24.986 40.899 -99.200 -91.000 TRP 175 1.040 84.675 -36.058 29.182 -99.200 -91.000 TRP6 175 1.020 82.934 -36.180 30.784 -99.200 -91.000 TYR 192 0.840 69.162 -50.366 21.639 -99.200 -91.000 TYR 196 0.840 63.528 -49.672 20.504 -99.200 -91.000 HIS 204 0.900 58.538 -57.181 7.993 -99.200 -91.000